#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkt s VAL 4 N 0.00 3.51 0.86 0.00 1.01 -1.26 -5.12 120.40 119.40 2jkt s VAL 4 Ca 0.00 -1.17 -0.14 0.00 0.00 0.00 0.00 61.98 60.66 2jkt s VAL 4 Cb 0.00 -3.21 0.21 0.00 0.00 0.00 0.00 36.38 33.38 2jkt s VAL 4 CO 0.00 -0.11 0.76 -0.24 0.00 0.00 0.00 175.10 175.51 2jkt n SER 5 N -1.57 -1.78 -3.46 3.32 2.88 -1.26 -5.08 113.62 106.67 2jkt n SER 5 Ca 0.01 -0.96 -0.21 0.00 -1.33 0.00 0.00 58.87 56.39 2jkt n SER 5 Cb 0.59 -0.70 -0.12 0.00 -0.75 0.00 0.00 64.21 63.24 2jkt n SER 5 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2jkt s LYS 6 N -4.73 0.26 -0.08 -1.46 -2.85 -1.26 -5.14 119.74 104.48 2jkt s LYS 6 Ca 0.49 -0.18 -0.02 0.00 -1.00 0.00 0.00 55.97 55.27 2jkt s LYS 6 Cb -0.05 -0.90 -0.03 0.00 -2.06 0.00 0.00 37.83 34.79 2jkt s LYS 6 CO 0.38 -0.95 -0.00 0.20 0.10 0.00 0.00 175.35 175.07 2jkt s GLY 7 N 2.28 1.84 0.00 0.59 0.00 -1.26 -5.09 107.32 105.69 2jkt s GLY 7 Ca 0.09 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.99 2jkt s GLY 7 CO -0.30 -0.58 0.00 1.34 0.00 0.00 0.00 173.10 173.56 2jkt n ASP 8 N 2.14 0.00 0.00 1.64 4.64 -1.26 -5.15 116.55 118.56 2jkt n ASP 8 Ca -0.19 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.22 2jkt n ASP 8 Cb 0.54 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.62 2jkt n ASP 8 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2jkt n GLY 9 N -0.77 3.86 2.68 0.27 0.00 -1.26 -5.12 105.19 104.85 2jkt n GLY 9 Ca 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 46.02 44.55 2jkt n GLY 9 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jkt s MET 10 N -2.59 0.31 0.21 1.61 1.75 -1.26 -5.07 119.30 114.25 2jkt s MET 10 Ca 0.00 -0.31 -0.20 0.00 -1.25 0.00 0.00 55.69 53.93 2jkt s MET 10 Cb 0.00 -0.01 0.16 0.00 2.84 0.00 0.00 34.83 37.82 2jkt s MET 10 CO 0.00 -0.38 1.56 -0.09 -0.65 0.00 0.00 175.02 175.46 2jkt h ARG 11 N 4.31 -0.08 -1.01 4.11 2.43 -1.99 -0.76 114.38 121.39 2jkt h ARG 11 Ca 0.00 0.01 0.26 0.00 -0.81 0.00 0.00 59.98 59.44 2jkt h ARG 11 Cb 1.16 0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 30.60 2jkt h ARG 11 CO -0.10 -0.05 0.60 0.78 -1.51 0.00 0.00 179.97 179.69 2jkt h GLY 12 N -0.08 1.90 0.84 2.80 0.00 -1.98 0.85 103.07 107.41 2jkt h GLY 12 Ca 0.28 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 2jkt h GLY 12 CO -0.85 -0.29 -0.36 -2.00 0.00 0.00 0.00 176.54 173.05 2jkt h LEU 13 N 0.52 -0.84 -1.48 3.11 5.85 -1.46 -0.06 115.31 120.95 2jkt h LEU 13 Ca 0.66 0.01 0.29 0.00 0.84 0.00 0.00 57.88 59.67 2jkt h LEU 13 Cb 1.33 0.22 -0.09 0.00 0.37 0.00 0.00 40.66 42.50 2jkt h LEU 13 CO -0.49 -0.51 0.70 0.00 -0.34 0.00 0.00 178.44 177.81 2jkt h ALA 14 N -1.04 2.41 -0.02 1.25 0.00 -0.90 0.83 119.26 121.79 2jkt h ALA 14 Ca -0.10 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2jkt h ALA 14 Cb 0.78 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2jkt h ALA 14 CO 0.17 -0.81 -0.10 0.28 0.00 0.00 0.00 179.25 178.79 2jkt h VAL 15 N 0.31 1.52 -0.16 0.00 2.07 -0.81 -1.25 116.25 117.93 2jkt h VAL 15 Ca 0.60 -1.66 0.05 0.00 0.82 0.00 0.00 66.70 66.50 2jkt h VAL 15 Cb 1.68 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 34.01 2jkt h VAL 15 CO -0.25 0.44 0.17 0.15 0.02 0.00 0.00 177.57 178.11 2jkt h PHE 16 N -0.54 0.00 0.02 1.57 3.57 0.11 -0.35 116.94 121.31 2jkt h PHE 16 Ca -0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2jkt h PHE 16 Cb 0.78 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.52 2jkt h PHE 16 CO 0.16 0.00 -0.01 0.82 -2.23 0.00 0.00 178.31 177.05 2jkt h ILE 17 N 0.00 1.31 -0.78 1.41 2.04 -0.97 -3.02 117.51 117.50 2jkt h ILE 17 Ca 0.07 -1.89 0.00 0.00 1.00 0.00 0.00 64.86 64.05 2jkt h ILE 17 Cb 0.42 2.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.90 2jkt h ILE 17 CO -0.00 0.43 0.50 0.28 0.00 0.00 0.00 178.15 179.36 2jkt h SER 18 N -0.96 0.92 0.04 1.72 0.02 -0.63 1.48 113.55 116.14 2jkt h SER 18 Ca -0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2jkt h SER 18 Cb 0.72 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 2jkt h SER 18 CO 0.00 0.68 -0.04 0.44 -1.14 0.00 0.00 176.83 176.77 2jkt h ASP 19 N 1.07 0.00 0.04 3.07 3.32 -1.24 -2.04 116.42 120.64 2jkt h ASP 19 Ca 0.28 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.99 2jkt h ASP 19 Cb -0.09 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 2jkt h ASP 19 CO -0.06 0.04 -1.93 0.00 -1.72 0.00 0.00 179.24 175.58 2jkt n ILE 20 N -4.48 1.60 0.12 0.35 3.06 0.21 -3.36 119.36 116.86 2jkt n ILE 20 Ca -0.03 -0.37 0.02 0.00 -2.50 0.00 0.00 62.75 59.87 2jkt n ILE 20 Cb 0.13 -1.82 0.08 0.00 0.54 0.00 0.00 39.64 38.56 2jkt n ILE 20 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2jkt n ARG 21 N -3.93 0.00 0.00 9.51 5.12 0.48 -3.95 116.66 123.89 2jkt n ARG 21 Ca -0.39 0.43 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 2jkt n ARG 21 Cb 0.88 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.68 2jkt n ARG 21 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2jkt n ASN 22 N -1.49 0.00 -2.36 0.55 5.15 -0.77 -5.05 115.26 111.30 2jkt n ASN 22 Ca 0.01 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.99 2jkt n ASN 22 Cb 0.04 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.29 2jkt n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jkt n LYS 24 N 1.87 0.45 -3.72 0.00 4.76 -1.26 -4.79 118.16 115.47 2jkt n LYS 24 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2jkt n LYS 24 Cb 0.04 -1.22 -0.00 0.00 -1.84 0.00 0.00 35.03 32.01 2jkt n LYS 24 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2jkt s SER 25 N -0.59 -0.07 -0.13 4.39 1.04 -1.26 -4.97 113.70 112.11 2jkt s SER 25 Ca 0.00 -0.25 0.08 0.00 0.48 0.00 0.00 55.95 56.26 2jkt s SER 25 Cb 0.00 0.26 0.47 0.00 0.10 0.00 0.00 66.02 66.85 2jkt s SER 25 CO 0.00 -0.48 1.23 1.17 0.98 0.00 0.00 173.24 176.14 2jkt n LYS 26 N -0.56 3.21 0.00 4.02 3.00 -1.26 -3.65 118.16 122.92 2jkt n LYS 26 Ca -0.06 -1.82 0.00 0.00 -0.00 0.00 0.00 58.31 56.43 2jkt n LYS 26 Cb 0.62 -1.92 0.00 0.00 0.00 0.00 0.00 35.03 33.73 2jkt n LYS 26 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2jkt n GLU 27 N 0.38 3.11 0.01 1.64 0.00 -1.26 -4.43 120.64 120.09 2jkt n GLU 27 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.18 2jkt n GLU 27 Cb 0.78 -0.39 -0.02 0.00 0.00 0.00 0.00 31.44 31.81 2jkt n GLU 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jkt h ALA 28 N 0.00 0.44 -0.69 4.31 0.00 -1.94 -1.64 119.26 119.75 2jkt h ALA 28 Ca 0.00 -0.61 0.15 0.00 0.00 0.00 0.00 54.91 54.45 2jkt h ALA 28 Cb 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.65 2jkt h ALA 28 CO 0.00 0.72 0.13 1.49 0.00 0.00 0.00 179.25 181.59 2jkt h GLU 29 N 0.42 0.22 0.00 0.00 4.81 -1.83 0.11 114.58 118.31 2jkt h GLU 29 Ca -0.04 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 2jkt h GLU 29 Cb 1.37 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 2jkt h GLU 29 CO 0.15 0.15 -0.42 0.82 -0.73 0.00 0.00 179.01 178.97 2jkt h ILE 30 N 0.23 1.14 0.01 2.32 2.04 -1.72 -2.94 117.51 118.59 2jkt h ILE 30 Ca 0.38 -1.54 -0.00 0.00 1.00 0.00 0.00 64.86 64.70 2jkt h ILE 30 Cb 0.63 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 2jkt h ILE 30 CO -0.50 0.42 -0.00 0.50 0.00 0.00 0.00 178.15 178.56 2jkt h LYS 31 N 0.00 -0.01 -0.02 2.37 3.64 -0.23 -3.27 116.57 119.05 2jkt h LYS 31 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jkt h LYS 31 Cb 0.83 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2jkt h LYS 31 CO 0.06 0.83 0.02 -0.09 -2.27 0.00 0.00 179.45 177.99 2jkt h ARG 32 N -0.87 0.00 0.42 1.90 1.12 -0.85 -1.98 114.38 114.11 2jkt h ARG 32 Ca -0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.85 2jkt h ARG 32 Cb 0.84 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.80 2jkt h ARG 32 CO 0.00 0.00 -0.20 0.82 -3.11 0.00 0.00 179.97 177.48 2jkt h ILE 33 N 0.00 0.54 -0.00 1.20 5.03 -1.60 -2.33 117.51 120.34 2jkt h ILE 33 Ca 0.01 -0.43 0.00 0.00 -0.12 0.00 0.00 64.86 64.32 2jkt h ILE 33 Cb 0.05 0.73 -0.00 0.00 -3.03 0.00 0.00 36.82 34.56 2jkt h ILE 33 CO -0.00 0.07 0.08 0.78 -0.68 0.00 0.00 178.15 178.41 2jkt h ASN 34 N -0.83 0.00 0.38 1.72 2.35 -1.42 0.43 115.58 118.21 2jkt h ASN 34 Ca -0.06 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.37 2jkt h ASN 34 Cb 0.55 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 2jkt h ASN 34 CO 0.09 0.00 -1.61 0.11 -1.65 0.00 0.00 177.43 174.37 2jkt h LYS 35 N 0.00 0.27 0.25 0.81 1.57 -1.36 -1.78 116.57 116.33 2jkt h LYS 35 Ca 0.00 -0.46 -0.34 0.00 -1.87 0.00 0.00 60.65 57.98 2jkt h LYS 35 Cb 0.17 0.17 0.04 0.00 0.08 0.00 0.00 32.23 32.69 2jkt h LYS 35 CO -0.00 1.13 -1.50 1.49 -0.57 0.00 0.00 179.45 180.00 2jkt h GLU 36 N 0.07 0.54 -0.49 3.15 4.57 -0.77 -2.65 114.58 119.01 2jkt h GLU 36 Ca -0.28 -0.92 0.03 0.00 -1.18 0.00 0.00 59.36 57.02 2jkt h GLU 36 Cb 2.04 0.34 -0.03 0.00 -0.16 0.00 0.00 28.75 30.94 2jkt h GLU 36 CO 0.16 1.44 0.32 -0.07 -1.18 0.00 0.00 179.01 179.68 2jkt h LEU 37 N 0.15 0.48 -0.28 1.64 3.38 -0.30 0.43 115.31 120.80 2jkt h LEU 37 Ca -0.26 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.51 2jkt h LEU 37 Cb 2.17 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.79 2jkt h LEU 37 CO 0.27 0.33 -0.88 0.00 0.09 0.00 0.00 178.44 178.26 2jkt h ALA 38 N 1.72 0.55 0.04 1.53 0.00 -1.40 -2.90 119.26 118.79 2jkt h ALA 38 Ca 0.19 -0.76 -0.16 0.00 0.00 0.00 0.00 54.91 54.18 2jkt h ALA 38 Cb 0.09 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2jkt h ALA 38 CO -0.05 1.01 -0.65 -0.97 0.00 0.00 0.00 179.25 178.59 2jkt h ASN 39 N 0.04 0.51 0.39 0.00 -1.24 -0.91 -3.35 115.58 111.02 2jkt h ASN 39 Ca -0.03 -0.81 -0.02 0.00 0.71 0.00 0.00 56.30 56.15 2jkt h ASN 39 Cb 1.52 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.42 2jkt h ASN 39 CO 0.12 1.26 -0.19 0.40 -1.29 0.00 0.00 177.43 177.74 2jkt h ILE 40 N -0.18 0.62 -4.13 2.57 2.04 -0.32 -3.34 117.51 114.77 2jkt h ILE 40 Ca -0.09 -0.05 -0.54 0.00 1.00 0.00 0.00 64.86 65.18 2jkt h ILE 40 Cb 1.39 0.65 0.14 0.00 -0.74 0.00 0.00 36.82 38.26 2jkt h ILE 40 CO 0.13 0.01 0.46 -0.60 0.00 0.00 0.00 178.15 178.15 2jkt s ARG 41 N -6.00 2.62 -0.50 2.37 3.52 -1.09 -1.85 118.95 118.01 2jkt s ARG 41 Ca -0.16 1.86 0.00 0.00 -0.13 0.00 0.00 55.73 57.31 2jkt s ARG 41 Cb 0.04 -1.88 0.00 0.00 -1.56 0.00 0.00 34.95 31.55 2jkt s ARG 41 CO 0.63 -1.49 0.00 -1.13 -0.81 0.00 0.00 175.30 172.50 2jkt n SER 42 N -2.02 -2.90 0.00 -2.12 3.41 -1.26 -4.73 113.62 104.00 2jkt n SER 42 Ca 0.14 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2jkt n SER 42 Cb 0.49 -1.62 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 2jkt n SER 42 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jkt n LYS 43 N -2.13 0.00 -0.03 4.33 4.76 -0.77 -4.65 118.16 119.66 2jkt n LYS 43 Ca -0.06 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.26 2jkt n LYS 43 Cb 0.37 -0.34 -0.08 0.00 -1.84 0.00 0.00 35.03 33.14 2jkt n LYS 43 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 2jkt h PHE 44 N 0.00 0.21 0.00 2.13 0.04 -1.82 -3.32 116.94 114.17 2jkt h PHE 44 Ca 0.00 -0.05 -0.14 0.00 2.80 0.00 0.00 57.97 60.58 2jkt h PHE 44 Cb 0.02 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.07 2jkt h PHE 44 CO 0.00 0.52 -0.21 1.17 -0.60 0.00 0.00 178.31 179.19 2jkt n LYS 45 N -4.76 1.55 -4.31 1.51 4.81 -1.26 -4.80 118.16 110.90 2jkt n LYS 45 Ca -0.07 -0.73 -0.19 0.00 -0.87 0.00 0.00 58.31 56.45 2jkt n LYS 45 Cb 0.25 -1.82 -0.08 0.00 0.02 0.00 0.00 35.03 33.40 2jkt n LYS 45 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2jkt s GLY 46 N 2.16 2.27 0.00 3.14 0.00 -1.25 -4.37 107.32 109.27 2jkt s GLY 46 Ca 0.49 -1.92 0.00 0.00 0.00 0.00 0.00 44.72 43.29 2jkt s GLY 46 CO 0.00 -1.52 0.78 2.09 0.00 0.00 0.00 173.10 174.46 2jkt n ASP 47 N -1.36 0.00 -4.66 1.64 5.75 -1.26 -4.59 116.55 112.07 2jkt n ASP 47 Ca 0.05 0.78 -0.43 0.00 -0.01 0.00 0.00 54.79 55.19 2jkt n ASP 47 Cb 0.63 -0.28 -0.02 0.00 -1.03 0.00 0.00 41.12 40.41 2jkt n ASP 47 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2jkt s LYS 48 N -2.14 4.23 0.56 0.11 1.02 -1.26 -5.01 119.74 117.24 2jkt s LYS 48 Ca 0.00 1.58 -0.20 0.00 0.02 0.00 0.00 55.97 57.36 2jkt s LYS 48 Cb 0.00 -3.74 -0.06 0.00 -0.52 0.00 0.00 37.83 33.51 2jkt s LYS 48 CO 0.00 -0.70 1.08 0.00 -0.92 0.00 0.00 175.35 174.81 2jkt n ALA 49 N 6.58 0.56 -1.95 5.17 0.00 -1.26 -4.94 120.51 124.68 2jkt n ALA 49 Ca 0.13 0.08 -0.27 0.00 0.00 0.00 0.00 53.44 53.39 2jkt n ALA 49 Cb 0.45 -2.17 0.12 0.00 0.00 0.00 0.00 19.45 17.84 2jkt n ALA 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jkt s LEU 50 N -2.17 2.82 0.98 0.00 1.02 -1.26 -5.09 118.68 114.97 2jkt s LEU 50 Ca 0.73 0.20 -0.16 0.00 0.02 0.00 0.00 54.13 54.92 2jkt s LEU 50 Cb -0.44 -2.57 0.22 0.00 0.02 0.00 0.00 46.19 43.42 2jkt s LEU 50 CO 0.49 -2.04 1.33 1.51 0.02 0.00 0.00 176.35 177.67 2jkt s ASP 51 N -4.69 2.92 0.16 2.29 -4.77 -1.26 -4.82 116.67 106.50 2jkt s ASP 51 Ca 0.66 0.11 -0.16 0.00 -3.30 0.00 0.00 52.55 49.86 2jkt s ASP 51 Cb -0.07 -0.08 0.08 0.00 -1.09 0.00 0.00 42.92 41.76 2jkt s ASP 51 CO 0.47 -2.84 1.73 1.23 0.70 0.00 0.00 175.17 176.46 2jkt h GLY 52 N -1.68 0.44 0.73 2.12 0.00 -1.99 -2.00 103.07 100.68 2jkt h GLY 52 Ca -0.43 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 46.88 2jkt h GLY 52 CO 0.32 -0.02 -0.15 -1.82 0.00 0.00 0.00 176.54 174.87 2jkt h TYR 53 N 0.21 -0.40 -0.23 5.60 3.20 -1.99 -0.77 116.97 122.59 2jkt h TYR 53 Ca 0.18 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.96 2jkt h TYR 53 Cb 0.20 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 2jkt h TYR 53 CO -0.18 -0.23 -0.27 0.77 -1.64 0.00 0.00 178.16 176.60 2jkt h SER 54 N -0.30 0.46 0.76 -2.11 0.02 -1.92 -1.21 113.55 109.25 2jkt h SER 54 Ca 0.02 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 2jkt h SER 54 Cb 0.32 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.74 2jkt h SER 54 CO -0.09 0.72 -0.36 0.11 -1.14 0.00 0.00 176.83 176.07 2jkt h LYS 55 N 0.40 -0.98 -0.82 3.45 1.57 -1.16 -1.51 116.57 117.51 2jkt h LYS 55 Ca 0.06 0.07 0.16 0.00 -1.87 0.00 0.00 60.65 59.06 2jkt h LYS 55 Cb 0.69 0.22 -0.15 0.00 0.08 0.00 0.00 32.23 33.07 2jkt h LYS 55 CO 0.05 -0.65 -0.22 1.17 -0.57 0.00 0.00 179.45 179.23 2jkt n LYS 56 N -5.13 -0.09 -0.05 3.15 4.81 -0.31 -0.78 118.16 119.76 2jkt n LYS 56 Ca -0.13 1.28 -0.14 0.00 -0.87 0.00 0.00 58.31 58.45 2jkt n LYS 56 Cb 0.40 -1.91 -0.03 0.00 0.02 0.00 0.00 35.03 33.51 2jkt n LYS 56 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2jkt h LYS 57 N 0.00 0.79 0.00 1.64 3.64 -1.15 -2.08 116.57 119.41 2jkt h LYS 57 Ca 0.38 -0.54 -0.10 0.00 -1.27 0.00 0.00 60.65 59.12 2jkt h LYS 57 Cb 0.59 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2jkt h LYS 57 CO -0.84 1.16 -0.47 1.88 -2.27 0.00 0.00 179.45 178.90 2jkt h TYR 58 N 0.59 0.00 0.46 1.91 -1.99 -0.17 -2.55 116.97 115.22 2jkt h TYR 58 Ca -0.00 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 2jkt h TYR 58 Cb 1.21 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.95 2jkt h TYR 58 CO 0.07 0.47 -0.22 0.28 -0.00 0.00 0.00 178.16 178.76 2jkt h VAL 59 N 0.00 0.48 -1.00 -2.88 2.07 -0.92 -2.85 116.25 111.16 2jkt h VAL 59 Ca -0.00 -0.38 0.24 0.00 0.82 0.00 0.00 66.70 67.37 2jkt h VAL 59 Cb 1.24 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 31.57 2jkt h VAL 59 CO 0.06 0.06 0.65 0.00 0.02 0.00 0.00 177.57 178.36 2jkt h LYS 61 N 0.40 0.57 0.14 0.00 1.57 -1.43 -2.20 116.57 115.63 2jkt h LYS 61 Ca 0.55 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2jkt h LYS 61 Cb 1.38 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.75 2jkt h LYS 61 CO -0.24 1.00 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.50 2jkt h LEU 62 N 0.43 -0.16 -1.03 2.94 3.38 -0.77 -2.04 115.31 118.05 2jkt h LEU 62 Ca -0.00 -0.12 0.25 0.00 0.09 0.00 0.00 57.88 58.09 2jkt h LEU 62 Cb 1.16 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.83 2jkt h LEU 62 CO 0.11 0.03 0.60 0.25 0.09 0.00 0.00 178.44 179.52 2jkt h LEU 63 N -0.35 0.66 -0.00 1.67 5.85 -1.00 0.59 115.31 122.72 2jkt h LEU 63 Ca -0.02 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2jkt h LEU 63 Cb 0.28 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 2jkt h LEU 63 CO 0.03 0.10 -0.01 0.15 -0.34 0.00 0.00 178.44 178.37 2jkt h PHE 64 N 0.56 0.01 -0.94 1.25 3.57 -1.31 -2.16 116.94 117.92 2jkt h PHE 64 Ca 0.65 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 62.28 2jkt h PHE 64 Cb 1.26 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.92 2jkt h PHE 64 CO -0.01 0.52 0.60 0.82 -2.23 0.00 0.00 178.31 178.01 2jkt h ILE 65 N -0.50 0.85 0.15 1.41 2.04 -0.39 -0.99 117.51 120.08 2jkt h ILE 65 Ca 0.00 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2jkt h ILE 65 Cb 0.52 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2jkt h ILE 65 CO 0.00 0.15 -0.07 0.15 0.00 0.00 0.00 178.15 178.37 2jkt h PHE 66 N 0.80 -0.19 0.00 1.37 3.04 -0.93 -2.33 116.94 118.70 2jkt h PHE 66 Ca 0.48 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.42 2jkt h PHE 66 Cb 0.67 0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.24 2jkt h PHE 66 CO -0.00 -0.11 0.00 1.28 -2.02 0.00 0.00 178.31 177.45 2jkt n LEU 67 N -5.18 0.21 -0.08 0.59 4.77 -0.42 -1.66 117.00 115.23 2jkt n LEU 67 Ca -0.08 -0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 55.68 2jkt n LEU 67 Cb 0.11 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 2jkt n LEU 67 CO 0.34 0.05 -1.05 0.18 -1.33 0.00 0.00 177.39 175.59 2jkt n LEU 68 N -0.08 2.08 0.00 2.23 4.77 -0.88 -5.02 117.00 120.09 2jkt n LEU 68 Ca 0.00 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2jkt n LEU 68 Cb 0.05 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2jkt n LEU 68 CO 0.00 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 2jkt n GLY 69 N 2.49 0.66 3.82 -0.72 0.00 -0.67 -5.13 105.19 105.65 2jkt n GLY 69 Ca -0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 2jkt n GLY 69 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jkt s HIS 70 N 0.00 3.34 0.63 1.61 5.04 -1.19 -5.03 115.29 119.68 2jkt s HIS 70 Ca 0.00 1.58 -0.02 0.00 -1.54 0.00 0.00 55.06 55.08 2jkt s HIS 70 Cb 0.00 -2.84 0.05 0.00 0.04 0.00 0.00 32.58 29.83 2jkt s HIS 70 CO 0.00 -0.16 0.89 -0.51 -2.34 0.00 0.00 174.74 172.62 2jkt s ASP 71 N -2.36 5.02 -0.10 9.88 1.01 -1.26 -4.06 116.67 124.79 2jkt s ASP 71 Ca 0.61 0.15 -0.03 0.00 0.71 0.00 0.00 52.55 53.99 2jkt s ASP 71 Cb -0.09 -0.90 0.05 0.00 1.01 0.00 0.00 42.92 42.98 2jkt s ASP 71 CO 0.17 -1.38 0.09 -0.63 0.21 0.00 0.00 175.17 173.63 2jkt s ILE 72 N -2.99 -0.13 -0.34 0.77 -1.09 -1.26 -4.90 121.20 111.26 2jkt s ILE 72 Ca 0.59 0.17 0.11 0.00 -2.23 0.00 0.00 60.65 59.29 2jkt s ILE 72 Cb -0.10 -0.36 0.72 0.00 -1.58 0.00 0.00 42.46 41.14 2jkt s ILE 72 CO 0.41 -0.02 1.63 -0.90 -1.23 0.00 0.00 174.94 174.83 2jkt n ASP 73 N 5.30 5.06 -3.67 3.58 3.85 -1.26 -4.97 116.55 124.43 2jkt n ASP 73 Ca -0.05 -2.88 -0.01 0.00 -0.71 0.00 0.00 54.79 51.14 2jkt n ASP 73 Cb 0.50 -0.68 -0.01 0.00 -1.35 0.00 0.00 41.12 39.58 2jkt n ASP 73 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 2jkt s PHE 74 N -2.60 -0.07 0.00 2.11 -0.12 -1.26 -5.01 117.98 111.03 2jkt s PHE 74 Ca 0.48 -0.13 0.00 0.00 -0.05 0.00 0.00 56.93 57.24 2jkt s PHE 74 Cb 0.37 0.59 0.00 0.00 -0.63 0.00 0.00 43.02 43.36 2jkt s PHE 74 CO 0.14 -0.54 0.00 0.41 -0.05 0.00 0.00 175.22 175.18 2jkt n GLY 75 N -0.50 2.68 0.51 1.99 0.00 -1.26 -4.93 105.19 103.67 2jkt n GLY 75 Ca -0.07 0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.28 2jkt n GLY 75 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2jkt h HIS 76 N 0.00 0.13 -0.22 1.61 3.86 -1.97 0.11 115.15 118.68 2jkt h HIS 76 Ca 0.00 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.06 2jkt h HIS 76 Cb 0.00 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.44 2jkt h HIS 76 CO 0.00 0.01 -0.48 1.98 0.86 0.00 0.00 177.93 180.30 2jkt h MET 77 N 0.07 0.71 -0.02 2.45 -1.53 -2.00 -2.52 114.93 112.09 2jkt h MET 77 Ca 0.57 -0.47 -0.03 0.00 -3.44 0.00 0.00 59.70 56.33 2jkt h MET 77 Cb 2.11 0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 33.22 2jkt h MET 77 CO -0.07 1.10 -0.12 0.93 0.14 0.00 0.00 176.91 178.89 2jkt h GLU 78 N 0.43 0.03 -0.23 0.39 3.07 -1.21 -2.08 114.58 114.98 2jkt h GLU 78 Ca 0.00 -0.01 -0.18 0.00 -0.50 0.00 0.00 59.36 58.67 2jkt h GLU 78 Cb 1.09 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.99 2jkt h GLU 78 CO 0.11 0.16 -0.59 0.00 -1.40 0.00 0.00 179.01 177.28 2jkt h ALA 79 N 1.85 0.52 0.00 3.43 0.00 -1.23 -3.01 119.26 120.82 2jkt h ALA 79 Ca 0.01 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jkt h ALA 79 Cb 0.23 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2jkt h ALA 79 CO 0.02 0.69 -0.00 0.28 0.00 0.00 0.00 179.25 180.23 2jkt h VAL 80 N 0.57 0.01 0.18 0.00 2.07 -0.96 -2.17 116.25 115.95 2jkt h VAL 80 Ca 0.00 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2jkt h VAL 80 Cb 1.18 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2jkt h VAL 80 CO 0.12 0.00 -0.09 0.78 0.02 0.00 0.00 177.57 178.41 2jkt h ASN 81 N 0.00 -0.20 -0.50 0.57 4.21 -1.30 -3.09 115.58 115.27 2jkt h ASN 81 Ca -0.00 -0.11 0.13 0.00 1.21 0.00 0.00 56.30 57.53 2jkt h ASN 81 Cb 0.57 0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.80 2jkt h ASN 81 CO 0.00 -0.01 0.35 -0.07 -1.29 0.00 0.00 177.43 176.41 2jkt h LEU 82 N -0.39 0.06 -0.94 1.61 3.38 -1.32 -1.91 115.31 115.80 2jkt h LEU 82 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jkt h LEU 82 Cb 0.30 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2jkt h LEU 82 CO 0.04 0.03 0.00 0.18 0.09 0.00 0.00 178.44 178.78 2jkt n LEU 83 N -4.41 0.47 -0.06 1.67 4.77 -1.06 -2.09 117.00 116.30 2jkt n LEU 83 Ca 0.09 0.68 -0.01 0.00 -0.03 0.00 0.00 56.01 56.74 2jkt n LEU 83 Cb 0.53 -0.70 -0.15 0.00 -2.33 0.00 0.00 43.42 40.78 2jkt n LEU 83 CO 0.36 -0.74 -0.94 -1.20 -1.33 0.00 0.00 177.39 173.54 2jkt n SER 84 N -2.09 0.49 -4.11 -1.43 7.64 -0.72 -4.92 113.62 108.49 2jkt n SER 84 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 2jkt n SER 84 Cb 0.09 1.35 0.07 0.00 -1.01 0.00 0.00 64.21 64.70 2jkt n SER 84 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2jkt n SER 85 N -2.47 -4.22 -0.43 6.43 2.88 -0.89 -4.90 113.62 110.02 2jkt n SER 85 Ca -0.19 0.13 0.12 0.00 -1.33 0.00 0.00 58.87 57.61 2jkt n SER 85 Cb 0.85 -0.80 0.22 0.00 -0.75 0.00 0.00 64.21 63.73 2jkt n SER 85 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2jkt n ASN 86 N 2.08 1.65 -4.73 -3.46 3.02 -1.26 -4.82 115.26 107.74 2jkt n ASN 86 Ca -0.00 -1.30 -0.37 0.00 -0.03 0.00 0.00 54.58 52.88 2jkt n ASN 86 Cb 0.61 0.24 -0.07 0.00 -0.61 0.00 0.00 39.78 39.95 2jkt n ASN 86 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2jkt s ARG 87 N -2.39 4.28 0.14 3.52 0.52 -1.26 -4.99 118.95 118.77 2jkt s ARG 87 Ca 0.24 0.25 -0.23 0.00 -0.52 0.00 0.00 55.73 55.47 2jkt s ARG 87 Cb 0.19 -3.42 0.01 0.00 0.52 0.00 0.00 34.95 32.25 2jkt s ARG 87 CO 0.50 0.22 1.63 -0.92 0.02 0.00 0.00 175.30 176.75 2jkt h TYR 88 N 6.63 -0.62 0.00 -0.53 3.20 -2.00 -1.82 116.97 121.83 2jkt h TYR 88 Ca -0.41 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.48 2jkt h TYR 88 Cb 1.17 0.30 -0.00 0.00 1.54 0.00 0.00 36.73 39.75 2jkt h TYR 88 CO 0.61 -0.31 -0.05 1.79 -1.64 0.00 0.00 178.16 178.56 2jkt h THR 89 N -0.26 0.33 0.19 1.81 1.35 -1.99 0.23 112.91 114.58 2jkt h THR 89 Ca 0.12 -0.31 -0.35 0.00 -0.55 0.00 0.00 66.41 65.32 2jkt h THR 89 Cb 0.45 1.23 0.01 0.00 -1.73 0.00 0.00 68.15 68.11 2jkt h THR 89 CO -0.35 0.05 -1.72 -0.33 -0.25 0.00 0.00 175.52 172.93 2jkt h GLU 90 N 0.00 0.41 -0.65 4.72 5.08 -1.73 -3.07 114.58 119.33 2jkt h GLU 90 Ca -0.00 -0.69 -0.06 0.00 -1.00 0.00 0.00 59.36 57.60 2jkt h GLU 90 Cb 0.22 0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2jkt h GLU 90 CO 0.01 1.32 0.15 0.87 -1.00 0.00 0.00 179.01 180.36 2jkt h LYS 91 N 0.11 1.03 -0.14 2.33 1.57 -0.54 -2.27 116.57 118.65 2jkt h LYS 91 Ca -0.33 -0.24 0.03 0.00 -1.87 0.00 0.00 60.65 58.24 2jkt h LYS 91 Cb 2.11 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 34.25 2jkt h LYS 91 CO 0.19 0.92 -0.02 0.37 -0.57 0.00 0.00 179.45 180.33 2jkt h GLN 92 N 0.97 0.02 -0.41 3.15 4.15 -0.65 -1.38 115.11 120.96 2jkt h GLN 92 Ca 0.20 -0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.50 2jkt h GLN 92 Cb 0.36 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 2jkt h GLN 92 CO 0.00 0.01 -0.23 0.82 -1.93 0.00 0.00 178.83 177.50 2jkt h ILE 93 N 0.02 1.27 0.05 2.39 2.04 -1.45 -0.83 117.51 121.00 2jkt h ILE 93 Ca 0.07 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.57 2jkt h ILE 93 Cb 0.09 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2jkt h ILE 93 CO -0.13 0.46 -0.05 1.23 0.00 0.00 0.00 178.15 179.66 2jkt h GLY 94 N 0.94 -0.09 0.95 5.37 0.00 -1.14 -1.08 103.07 108.02 2jkt h GLY 94 Ca 0.10 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 2jkt h GLY 94 CO 0.06 -0.05 0.16 -0.97 0.00 0.00 0.00 176.54 175.74 2jkt h TYR 95 N -0.11 0.67 -0.94 5.60 0.99 -1.17 -2.24 116.97 119.77 2jkt h TYR 95 Ca 0.00 -0.06 0.03 0.00 2.00 0.00 0.00 58.73 60.71 2jkt h TYR 95 Cb 0.11 -0.20 -0.05 0.00 1.00 0.00 0.00 36.73 37.58 2jkt h TYR 95 CO -0.10 0.59 0.62 1.25 -0.00 0.00 0.00 178.16 180.52 2jkt h LEU 96 N 0.55 1.03 -0.70 3.88 5.85 -1.01 0.24 115.31 125.14 2jkt h LEU 96 Ca 0.14 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 2jkt h LEU 96 Cb 0.22 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2jkt h LEU 96 CO -0.01 0.72 0.22 0.15 -0.34 0.00 0.00 178.44 179.18 2jkt h PHE 97 N 1.21 1.13 0.00 1.25 3.57 -0.87 -1.59 116.94 121.64 2jkt h PHE 97 Ca 0.37 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2jkt h PHE 97 Cb -0.03 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.39 2jkt h PHE 97 CO -0.01 0.90 -0.55 0.44 -2.23 0.00 0.00 178.31 176.87 2jkt n ILE 98 N -4.30 0.26 0.11 1.41 -5.35 -0.87 -2.03 119.36 108.59 2jkt n ILE 98 Ca 0.05 -0.20 -0.19 0.00 -0.27 0.00 0.00 62.75 62.14 2jkt n ILE 98 Cb 0.22 -0.07 -0.13 0.00 -1.74 0.00 0.00 39.64 37.91 2jkt n ILE 98 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2jkt h SER 99 N 0.00 0.63 0.00 7.28 0.02 -0.33 -3.39 113.55 117.76 2jkt h SER 99 Ca 0.00 -0.64 -0.03 0.00 -0.84 0.00 0.00 61.79 60.27 2jkt h SER 99 Cb 0.68 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 2jkt h SER 99 CO 0.00 1.49 -0.21 0.58 -1.14 0.00 0.00 176.83 177.55 2jkt h VAL 100 N 0.15 1.13 -3.37 2.27 2.07 -1.28 -3.43 116.25 113.79 2jkt h VAL 100 Ca -0.17 -1.92 -0.73 0.00 0.82 0.00 0.00 66.70 64.70 2jkt h VAL 100 Cb 1.98 2.21 -0.24 0.00 -1.52 0.00 0.00 31.29 33.71 2jkt h VAL 100 CO 0.23 0.38 -0.39 -0.76 0.02 0.00 0.00 177.57 177.06 2jkt s LEU 101 N -8.25 5.41 0.54 2.57 1.02 -0.86 -5.07 118.68 114.04 2jkt s LEU 101 Ca -0.16 -1.35 0.07 0.00 0.02 0.00 0.00 54.13 52.71 2jkt s LEU 101 Cb -0.01 -2.11 0.05 0.00 0.02 0.00 0.00 46.19 44.14 2jkt s LEU 101 CO 0.48 -0.59 0.50 -0.69 0.02 0.00 0.00 176.35 176.07 2jkt s VAL 102 N 1.57 1.86 0.25 -1.59 1.01 -1.26 -4.49 120.40 117.75 2jkt s VAL 102 Ca 0.04 -1.35 -0.17 0.00 0.00 0.00 0.00 61.98 60.49 2jkt s VAL 102 Cb -0.23 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 33.95 2jkt s VAL 102 CO 0.05 0.00 0.58 0.54 0.00 0.00 0.00 175.10 176.28 2jkt s ASN 103 N -4.37 -0.20 0.00 3.32 6.03 -1.26 -5.03 114.94 113.42 2jkt s ASN 103 Ca 0.42 -0.69 0.29 0.00 -1.03 0.00 0.00 52.86 51.85 2jkt s ASN 103 Cb -0.03 0.64 1.20 0.00 -3.03 0.00 0.00 41.25 40.03 2jkt s ASN 103 CO 0.26 -1.20 1.83 -1.20 -2.03 0.00 0.00 177.10 174.77 2jkt n SER 104 N -0.40 0.86 -4.55 3.54 7.64 -1.26 -4.89 113.62 114.55 2jkt n SER 104 Ca -0.05 -1.04 -0.33 0.00 1.01 0.00 0.00 58.87 58.46 2jkt n SER 104 Cb 0.61 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.77 2jkt n SER 104 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2jkt s ASN 105 N -2.22 4.45 0.62 6.43 3.04 -1.26 -4.79 114.94 121.21 2jkt s ASN 105 Ca 0.35 0.85 0.25 0.00 0.04 0.00 0.00 52.86 54.35 2jkt s ASN 105 Cb 0.21 -2.51 1.15 0.00 -1.54 0.00 0.00 41.25 38.56 2jkt s ASN 105 CO 0.41 -2.96 1.60 0.77 -3.04 0.00 0.00 177.10 173.88 2jkt h SER 106 N 18.19 0.00 0.08 -4.21 4.64 -1.99 -1.93 113.55 128.33 2jkt h SER 106 Ca -0.21 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2jkt h SER 106 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2jkt h SER 106 CO 1.15 0.00 -0.04 -0.08 -0.87 0.00 0.00 176.83 176.99 2jkt h GLU 107 N 0.00 -0.11 -0.77 4.77 4.57 -2.00 -3.27 114.58 117.78 2jkt h GLU 107 Ca 0.24 0.01 0.18 0.00 -1.18 0.00 0.00 59.36 58.61 2jkt h GLU 107 Cb 1.75 0.02 -0.12 0.00 -0.16 0.00 0.00 28.75 30.25 2jkt h GLU 107 CO -0.00 -0.07 0.16 -0.07 -1.18 0.00 0.00 179.01 177.85 2jkt h LEU 108 N -0.53 -0.04 -1.44 1.64 3.38 -1.80 0.21 115.31 116.72 2jkt h LEU 108 Ca -0.01 0.16 0.30 0.00 0.09 0.00 0.00 57.88 58.42 2jkt h LEU 108 Cb 0.08 0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 2jkt h LEU 108 CO 0.02 -0.08 0.71 0.40 0.09 0.00 0.00 178.44 179.58 2jkt h ILE 109 N 0.23 0.46 0.00 1.22 5.03 -1.51 0.34 117.51 123.28 2jkt h ILE 109 Ca 0.45 -0.10 0.00 0.00 -0.12 0.00 0.00 64.86 65.08 2jkt h ILE 109 Cb 0.80 0.12 0.00 0.00 -3.03 0.00 0.00 36.82 34.71 2jkt h ILE 109 CO -0.57 0.06 -1.05 -1.14 -0.68 0.00 0.00 178.15 174.77 2jkt n ARG 110 N -4.58 0.09 -0.01 2.37 0.63 0.60 -2.51 116.66 113.25 2jkt n ARG 110 Ca 0.27 -0.02 -0.17 0.00 -0.92 0.00 0.00 57.85 57.01 2jkt n ARG 110 Cb 0.99 -1.51 -0.11 0.00 0.45 0.00 0.00 32.46 32.28 2jkt n ARG 110 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2jkt h LEU 111 N 0.00 0.49 -0.17 6.15 3.38 0.92 -2.92 115.31 123.15 2jkt h LEU 111 Ca 0.00 -0.75 -0.02 0.00 0.09 0.00 0.00 57.88 57.20 2jkt h LEU 111 Cb 0.57 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2jkt h LEU 111 CO 0.00 1.17 0.02 0.40 0.09 0.00 0.00 178.44 180.12 2jkt h ILE 112 N -0.15 1.23 -0.27 1.22 2.04 -0.98 -1.53 117.51 119.08 2jkt h ILE 112 Ca -0.06 -0.76 0.08 0.00 1.00 0.00 0.00 64.86 65.11 2jkt h ILE 112 Cb 1.24 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 2jkt h ILE 112 CO 0.10 0.23 0.44 0.78 0.00 0.00 0.00 178.15 179.70 2jkt h ASN 113 N 0.07 0.00 0.00 1.72 4.21 -1.56 0.88 115.58 120.89 2jkt h ASN 113 Ca 0.05 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.56 2jkt h ASN 113 Cb 0.33 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.53 2jkt h ASN 113 CO 0.01 0.00 -0.03 -1.13 -1.29 0.00 0.00 177.43 174.99 2jkt h ASN 114 N 0.00 0.00 -0.51 5.81 -1.24 -1.10 -1.00 115.58 117.54 2jkt h ASN 114 Ca 0.13 -0.45 0.10 0.00 0.71 0.00 0.00 56.30 56.79 2jkt h ASN 114 Cb 1.00 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 39.96 2jkt h ASN 114 CO -0.00 0.74 -0.02 0.00 -1.29 0.00 0.00 177.43 176.86 2jkt h ALA 115 N -0.55 0.46 -0.82 1.57 0.00 -0.90 0.64 119.26 119.66 2jkt h ALA 115 Ca -0.01 0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.16 2jkt h ALA 115 Cb 0.47 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 2jkt h ALA 115 CO -0.00 -0.40 0.47 0.82 0.00 0.00 0.00 179.25 180.14 2jkt h ILE 116 N 0.09 0.92 -0.37 0.00 2.04 -0.94 -0.93 117.51 118.33 2jkt h ILE 116 Ca 0.26 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.89 2jkt h ILE 116 Cb 0.39 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 2jkt h ILE 116 CO -0.45 0.15 0.11 0.50 0.00 0.00 0.00 178.15 178.46 2jkt h LYS 117 N 0.80 0.25 0.24 2.37 3.64 0.35 -2.39 116.57 121.83 2jkt h LYS 117 Ca 0.39 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 2jkt h LYS 117 Cb 0.34 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2jkt h LYS 117 CO -0.24 0.16 -0.11 -0.91 -2.27 0.00 0.00 179.45 176.08 2jkt h ASN 118 N 0.26 -0.27 -0.23 4.20 4.21 0.32 -2.51 115.58 121.55 2jkt h ASN 118 Ca 0.17 -0.11 0.02 0.00 1.21 0.00 0.00 56.30 57.59 2jkt h ASN 118 Cb 0.16 0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 37.41 2jkt h ASN 118 CO -0.19 -0.05 0.09 0.44 -1.29 0.00 0.00 177.43 176.43 2jkt h ASP 119 N -0.49 0.11 -1.00 5.81 3.32 -1.24 0.70 116.42 123.63 2jkt h ASP 119 Ca -0.03 0.02 0.26 0.00 0.02 0.00 0.00 57.03 57.30 2jkt h ASP 119 Cb 0.37 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.85 2jkt h ASP 119 CO 0.05 0.09 0.68 -0.07 -1.72 0.00 0.00 179.24 178.28 2jkt h LEU 120 N 0.20 0.26 0.00 1.55 3.38 -1.42 -0.89 115.31 118.39 2jkt h LEU 120 Ca 0.10 0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.89 2jkt h LEU 120 Cb 0.06 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2jkt h LEU 120 CO -0.09 0.07 -1.28 0.00 0.09 0.00 0.00 178.44 177.22 2jkt h ALA 121 N 1.57 0.62 0.00 1.53 0.00 0.58 -3.35 119.26 120.19 2jkt h ALA 121 Ca 0.52 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jkt h ALA 121 Cb 1.60 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2jkt h ALA 121 CO -0.15 1.22 0.00 -1.13 0.00 0.00 0.00 179.25 179.19 2jkt n SER 122 N -3.12 0.00 -1.44 0.00 3.41 0.16 -4.73 113.62 107.90 2jkt n SER 122 Ca -0.08 0.18 -0.03 0.00 -0.26 0.00 0.00 58.87 58.67 2jkt n SER 122 Cb 0.93 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 64.69 2jkt n SER 122 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jkt n ARG 123 N -1.18 -1.50 -3.43 4.33 1.74 -1.26 -4.90 116.66 110.46 2jkt n ARG 123 Ca 0.00 0.18 -0.38 0.00 -0.77 0.00 0.00 57.85 56.88 2jkt n ARG 123 Cb 0.00 -4.35 -0.08 0.00 -1.02 0.00 0.00 32.46 27.01 2jkt n ARG 123 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jkt s ASN 124 N -1.45 6.40 0.20 0.55 3.84 -1.26 -5.02 114.94 118.19 2jkt s ASN 124 Ca 0.00 0.46 -0.05 0.00 0.21 0.00 0.00 52.86 53.48 2jkt s ASN 124 Cb 0.00 -2.21 0.14 0.00 -0.55 0.00 0.00 41.25 38.63 2jkt s ASN 124 CO 0.00 -0.04 1.59 -0.65 -2.79 0.00 0.00 177.10 175.20 2jkt h PRO 125 N 7.33 0.78 -0.29 0.43 0.11 -1.94 0.30 132.00 138.72 2jkt h PRO 125 Ca -0.37 -0.35 -0.10 0.00 0.11 0.00 0.00 66.00 65.30 2jkt h PRO 125 Cb 1.16 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2jkt h PRO 125 CO 0.71 0.97 -0.23 1.15 -0.21 0.00 0.00 178.00 180.39 2jkt h THR 126 N 0.66 1.26 0.03 -1.15 2.02 -1.99 -1.01 112.91 112.74 2jkt h THR 126 Ca 0.08 -1.26 -0.10 0.00 0.77 0.00 0.00 66.41 65.90 2jkt h THR 126 Cb 0.82 1.29 0.01 0.00 -1.74 0.00 0.00 68.15 68.53 2jkt h THR 126 CO 0.07 0.41 -0.40 -0.26 0.37 0.00 0.00 175.52 175.71 2jkt h PHE 127 N 0.49 0.34 -0.85 3.16 0.05 -1.86 -2.76 116.94 115.50 2jkt h PHE 127 Ca 0.07 -0.21 0.18 0.00 3.82 0.00 0.00 57.97 61.84 2jkt h PHE 127 Cb 0.66 -0.03 -0.11 0.00 2.00 0.00 0.00 35.95 38.47 2jkt h PHE 127 CO 0.02 1.07 0.38 0.52 -0.18 0.00 0.00 178.31 180.12 2jkt h MET 128 N -0.49 0.45 0.95 1.51 2.86 -0.28 -1.81 114.93 118.12 2jkt h MET 128 Ca -0.06 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 2jkt h MET 128 Cb 1.20 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.77 2jkt h MET 128 CO 0.08 0.30 -0.45 0.78 1.06 0.00 0.00 176.91 178.67 2jkt h GLY 129 N 0.47 -1.33 -0.79 8.32 0.00 -1.23 -0.63 103.07 107.88 2jkt h GLY 129 Ca 0.50 0.49 0.38 0.00 0.00 0.00 0.00 47.33 48.70 2jkt h GLY 129 CO -0.46 -0.48 0.80 1.41 0.00 0.00 0.00 176.54 177.81 2jkt h LEU 130 N -1.30 0.29 0.05 3.11 3.38 -1.05 0.18 115.31 119.98 2jkt h LEU 130 Ca -0.13 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jkt h LEU 130 Cb 0.97 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2jkt h LEU 130 CO 0.21 -0.09 -0.02 0.00 0.09 0.00 0.00 178.44 178.63 2jkt h ALA 131 N 1.59 -0.06 -0.97 1.53 0.00 -1.13 -2.25 119.26 117.96 2jkt h ALA 131 Ca 0.74 -0.29 0.24 0.00 0.00 0.00 0.00 54.91 55.61 2jkt h ALA 131 Cb 2.25 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 20.00 2jkt h ALA 131 CO -0.36 -0.10 0.65 -0.07 0.00 0.00 0.00 179.25 179.37 2jkt h LEU 132 N -0.94 0.33 0.03 0.00 3.38 0.55 0.83 115.31 119.49 2jkt h LEU 132 Ca -0.01 0.05 -0.26 0.00 0.09 0.00 0.00 57.88 57.75 2jkt h LEU 132 Cb 0.60 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.35 2jkt h LEU 132 CO 0.01 0.10 -1.16 0.45 0.09 0.00 0.00 178.44 177.94 2jkt h HIS 133 N 0.31 0.59 -0.40 1.13 3.86 -0.76 -2.03 115.15 117.85 2jkt h HIS 133 Ca 0.51 -0.39 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 2jkt h HIS 133 Cb 1.45 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.86 2jkt h HIS 133 CO -0.00 1.26 0.08 0.00 0.86 0.00 0.00 177.93 180.13 2jkt h ILE 135 N 0.51 0.78 0.00 0.00 2.04 -0.96 -1.36 117.51 118.53 2jkt h ILE 135 Ca 0.12 -0.07 -0.11 0.00 1.00 0.00 0.00 64.86 65.80 2jkt h ILE 135 Cb 0.35 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2jkt h ILE 135 CO 0.01 0.04 -0.53 0.00 0.00 0.00 0.00 178.15 177.67 2jkt h ALA 136 N 1.31 0.93 0.01 1.87 0.00 -1.04 0.32 119.26 122.67 2jkt h ALA 136 Ca 0.19 -0.48 -0.24 0.00 0.00 0.00 0.00 54.91 54.39 2jkt h ALA 136 Cb 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2jkt h ALA 136 CO -0.26 0.66 -1.20 -0.91 0.00 0.00 0.00 179.25 177.53 2jkt h ASN 137 N 0.00 0.04 0.00 0.00 2.35 -0.90 -3.40 115.58 113.67 2jkt h ASN 137 Ca -0.01 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2jkt h ASN 137 Cb 1.06 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.42 2jkt h ASN 137 CO 0.07 1.04 -0.58 0.52 -1.65 0.00 0.00 177.43 176.83 2jkt n VAL 138 N -3.29 1.41 -2.02 2.81 0.31 -0.52 -4.99 118.33 112.03 2jkt n VAL 138 Ca -0.05 0.21 -0.19 0.00 -0.01 0.00 0.00 64.34 64.29 2jkt n VAL 138 Cb 0.98 -2.37 -0.04 0.00 -0.91 0.00 0.00 33.84 31.49 2jkt n VAL 138 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jkt n GLY 139 N 1.59 0.58 3.73 2.92 0.00 0.11 -4.95 105.19 109.18 2jkt n GLY 139 Ca -0.08 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 2jkt n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jkt s SER 140 N -2.42 4.72 0.34 1.61 1.04 -1.26 -4.79 113.70 112.94 2jkt s SER 140 Ca 0.00 2.65 0.08 0.00 0.48 0.00 0.00 55.95 59.16 2jkt s SER 140 Cb 0.00 -2.62 0.79 0.00 0.10 0.00 0.00 66.02 64.29 2jkt s SER 140 CO 0.00 -1.93 1.84 -0.09 0.98 0.00 0.00 173.24 174.04 2jkt h ARG 141 N 0.71 0.71 -0.59 4.02 9.65 -1.95 -1.34 114.38 125.58 2jkt h ARG 141 Ca -0.51 -0.04 0.11 0.00 -1.10 0.00 0.00 59.98 58.44 2jkt h ARG 141 Cb 1.33 -0.16 -0.09 0.00 -1.39 0.00 0.00 29.97 29.66 2jkt h ARG 141 CO 0.54 0.47 0.10 0.93 2.80 0.00 0.00 179.97 184.80 2jkt h GLU 142 N 0.73 0.22 0.02 0.20 3.07 -2.00 -2.17 114.58 114.64 2jkt h GLU 142 Ca 0.49 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.34 2jkt h GLU 142 Cb 0.78 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 2jkt h GLU 142 CO -0.25 0.14 -0.01 0.52 -1.40 0.00 0.00 179.01 178.01 2jkt h MET 143 N 0.22 -0.02 -0.89 2.33 2.86 -1.62 -2.86 114.93 114.95 2jkt h MET 143 Ca 0.31 0.00 0.26 0.00 -2.06 0.00 0.00 59.70 58.21 2jkt h MET 143 Cb 0.47 0.01 -0.17 0.00 0.06 0.00 0.00 31.60 31.97 2jkt h MET 143 CO -0.42 0.57 0.06 0.00 1.06 0.00 0.00 176.91 178.17 2jkt n ALA 144 N -2.42 0.50 -0.27 6.32 0.00 -0.88 0.74 120.51 124.49 2jkt n ALA 144 Ca -0.09 0.95 -0.06 0.00 0.00 0.00 0.00 53.44 54.25 2jkt n ALA 144 Cb 0.30 -0.72 0.07 0.00 0.00 0.00 0.00 19.45 19.11 2jkt n ALA 144 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jkt h GLU 145 N 0.00 1.15 0.00 0.00 5.08 -1.18 0.12 114.58 119.76 2jkt h GLU 145 Ca 0.56 -0.23 -0.20 0.00 -1.00 0.00 0.00 59.36 58.49 2jkt h GLU 145 Cb 1.19 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 2jkt h GLU 145 CO -0.82 0.96 -1.03 0.00 -1.00 0.00 0.00 179.01 177.11 2jkt h ALA 146 N 1.17 0.47 0.00 3.43 0.00 0.47 -3.40 119.26 121.39 2jkt h ALA 146 Ca 0.25 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2jkt h ALA 146 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jkt h ALA 146 CO -0.01 1.18 0.00 1.19 0.00 0.00 0.00 179.25 181.61 2jkt n PHE 147 N -3.27 0.00 -0.40 0.00 3.01 -0.14 -4.62 117.46 112.04 2jkt n PHE 147 Ca -0.02 0.00 0.37 0.00 1.01 0.00 0.00 57.45 58.80 2jkt n PHE 147 Cb 0.92 0.00 0.72 0.00 -0.01 0.00 0.00 39.48 41.10 2jkt n PHE 147 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jkt h ALA 148 N 0.00 3.08 -0.19 4.37 0.00 -0.89 -0.04 119.26 125.59 2jkt h ALA 148 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 2jkt h ALA 148 Cb 0.01 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2jkt h ALA 148 CO 0.00 -1.50 -0.63 0.78 0.00 0.00 0.00 179.25 177.90 2jkt h GLY 149 N 0.07 0.73 0.58 0.00 0.00 -1.82 -3.37 103.07 99.27 2jkt h GLY 149 Ca 0.66 -0.92 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 2jkt h GLY 149 CO -0.10 0.82 -1.59 1.18 0.00 0.00 0.00 176.54 176.85 2jkt n GLU 150 N -3.94 0.64 -0.23 4.80 1.02 -0.06 -4.22 120.64 118.64 2jkt n GLU 150 Ca -0.05 0.05 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 2jkt n GLU 150 Cb 0.66 -1.70 0.04 0.00 -0.02 0.00 0.00 31.44 30.43 2jkt n GLU 150 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2jkt h ILE 151 N 0.00 1.20 0.36 -3.67 1.08 -1.63 -1.87 117.51 112.97 2jkt h ILE 151 Ca -0.12 -0.47 -0.02 0.00 -0.39 0.00 0.00 64.86 63.87 2jkt h ILE 151 Cb 1.34 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 2jkt h ILE 151 CO 0.02 0.21 -0.17 -0.65 -0.69 0.00 0.00 178.15 176.87 2jkt h PRO 152 N 0.87 -0.46 -0.96 2.37 0.11 -1.76 -1.59 132.00 130.57 2jkt h PRO 152 Ca 0.23 0.03 0.38 0.00 0.11 0.00 0.00 66.00 66.74 2jkt h PRO 152 Cb 0.01 0.10 -0.17 0.00 0.11 0.00 0.00 31.00 31.05 2jkt h PRO 152 CO -0.04 -0.28 0.41 1.63 -0.21 0.00 0.00 178.00 179.51 2jkt n LYS 153 N -5.28 -0.06 0.16 1.05 5.02 -0.97 -0.29 118.16 117.78 2jkt n LYS 153 Ca -0.10 1.35 -0.10 0.00 -2.02 0.00 0.00 58.31 57.44 2jkt n LYS 153 Cb 0.22 -2.37 -0.06 0.00 -0.02 0.00 0.00 35.03 32.80 2jkt n LYS 153 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2jkt h ILE 154 N 0.00 0.36 -0.81 -0.18 2.04 -0.99 -3.06 117.51 114.87 2jkt h ILE 154 Ca 0.77 -0.73 0.16 0.00 1.00 0.00 0.00 64.86 66.06 2jkt h ILE 154 Cb 1.96 0.58 -0.15 0.00 -0.74 0.00 0.00 36.82 38.47 2jkt h ILE 154 CO -0.78 0.08 -0.20 0.25 0.00 0.00 0.00 178.15 177.51 2jkt h LEU 155 N -1.01 -0.75 0.00 1.44 5.85 0.34 -1.56 115.31 119.62 2jkt h LEU 155 Ca -0.05 0.24 -0.15 0.00 0.84 0.00 0.00 57.88 58.76 2jkt h LEU 155 Cb 0.49 0.50 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 2jkt h LEU 155 CO 0.08 -0.27 -0.89 -0.37 -0.34 0.00 0.00 178.44 176.65 2jkt h VAL 156 N 0.00 0.98 -2.48 1.05 -1.51 -1.58 -3.47 116.25 109.25 2jkt h VAL 156 Ca 0.39 -2.48 -0.60 0.00 -1.23 0.00 0.00 66.70 62.78 2jkt h VAL 156 Cb 0.59 2.43 0.13 0.00 -2.13 0.00 0.00 31.29 32.32 2jkt h VAL 156 CO -0.83 0.56 -0.11 0.00 -1.23 0.00 0.00 177.57 175.96 2jkt n ALA 157 N -2.31 -0.79 -0.05 5.19 0.00 -0.59 -4.88 120.51 117.09 2jkt n ALA 157 Ca -0.02 0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.59 2jkt n ALA 157 Cb 0.82 -1.91 0.05 0.00 0.00 0.00 0.00 19.45 18.41 2jkt n ALA 157 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2jkt h GLY 158 N 1.34 0.76 1.36 0.00 0.00 -1.90 -3.26 103.07 101.37 2jkt h GLY 158 Ca -0.40 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.14 2jkt h GLY 158 CO 0.56 0.71 -0.12 2.09 0.00 0.00 0.00 176.54 179.78 2jkt n ASP 159 N -4.03 0.25 -4.76 0.19 5.75 -1.26 -4.90 116.55 107.78 2jkt n ASP 159 Ca -0.02 -0.13 -0.41 0.00 -0.01 0.00 0.00 54.79 54.22 2jkt n ASP 159 Cb 0.54 -0.19 -0.01 0.00 -1.03 0.00 0.00 41.12 40.43 2jkt n ASP 159 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2jkt s THR 160 N -2.73 2.38 0.61 2.12 2.01 -1.23 -4.95 115.64 113.84 2jkt s THR 160 Ca 0.22 0.35 -0.20 0.00 0.31 0.00 0.00 61.69 62.37 2jkt s THR 160 Cb 0.19 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 2jkt s THR 160 CO 0.52 0.07 1.31 0.23 -0.69 0.00 0.00 174.62 176.07 2jkt n MET 161 N 1.27 1.34 -0.32 4.92 2.81 -1.26 -4.74 117.12 121.14 2jkt n MET 161 Ca 0.03 0.51 -0.04 0.00 -1.81 0.00 0.00 57.70 56.40 2jkt n MET 161 Cb 0.40 -2.54 0.08 0.00 -0.71 0.00 0.00 33.22 30.45 2jkt n MET 161 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2jkt h ASP 162 N 0.89 1.06 -0.72 7.83 3.32 -1.98 0.24 116.42 127.06 2jkt h ASP 162 Ca -0.51 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.47 2jkt h ASP 162 Cb 1.33 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.57 2jkt h ASP 162 CO 0.55 0.82 0.43 0.77 -1.72 0.00 0.00 179.24 180.08 2jkt h SER 163 N 1.21 0.87 0.03 6.45 4.64 -2.00 -0.53 113.55 124.22 2jkt h SER 163 Ca 0.31 -0.05 -0.21 0.00 -0.47 0.00 0.00 61.79 61.37 2jkt h SER 163 Cb -0.04 -0.22 0.02 0.00 -0.31 0.00 0.00 62.40 61.84 2jkt h SER 163 CO -0.06 0.68 -0.84 0.58 -0.87 0.00 0.00 176.83 176.31 2jkt h VAL 164 N 1.00 1.37 -0.48 0.95 2.07 -1.75 -2.77 116.25 116.64 2jkt h VAL 164 Ca 0.26 -2.22 0.09 0.00 0.82 0.00 0.00 66.70 65.66 2jkt h VAL 164 Cb -0.03 2.59 -0.10 0.00 -1.52 0.00 0.00 31.29 32.23 2jkt h VAL 164 CO -0.05 0.66 -0.27 0.11 0.02 0.00 0.00 177.57 178.04 2jkt h LYS 165 N 0.08 -0.16 -0.16 1.57 1.57 -0.24 0.59 116.57 119.82 2jkt h LYS 165 Ca -0.11 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2jkt h LYS 165 Cb 1.54 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.82 2jkt h LYS 165 CO 0.16 -0.11 -0.46 1.96 -0.57 0.00 0.00 179.45 180.44 2jkt h GLN 166 N -0.16 -0.49 -0.38 3.15 4.20 -1.10 -1.93 115.11 118.41 2jkt h GLN 166 Ca 0.22 0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.84 2jkt h GLN 166 Cb 0.51 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 2jkt h GLN 166 CO -0.58 -0.32 -0.24 0.77 -0.67 0.00 0.00 178.83 177.79 2jkt h SER 167 N -0.50 0.78 -0.61 1.46 0.02 -1.10 -2.72 113.55 110.88 2jkt h SER 167 Ca 0.07 -0.29 0.08 0.00 -0.84 0.00 0.00 61.79 60.82 2jkt h SER 167 Cb 0.64 -0.22 -0.07 0.00 0.14 0.00 0.00 62.40 62.90 2jkt h SER 167 CO -0.43 0.99 0.26 0.00 -1.14 0.00 0.00 176.83 176.51 2jkt h ALA 168 N 1.06 0.79 -0.19 3.77 0.00 0.60 0.22 119.26 125.52 2jkt h ALA 168 Ca 0.09 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2jkt h ALA 168 Cb 0.75 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2jkt h ALA 168 CO 0.06 -0.15 0.04 0.00 0.00 0.00 0.00 179.25 179.20 2jkt h ALA 169 N 1.39 0.25 0.00 0.00 0.00 -1.17 -1.33 119.26 118.41 2jkt h ALA 169 Ca 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2jkt h ALA 169 Cb 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jkt h ALA 169 CO -0.27 -0.10 0.00 -0.07 0.00 0.00 0.00 179.25 178.81 2jkt h LEU 170 N 0.11 0.00 0.02 0.00 3.38 -1.14 -1.77 115.31 115.91 2jkt h LEU 170 Ca 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2jkt h LEU 170 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2jkt h LEU 170 CO 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 178.44 178.31 2jkt h LEU 172 N -0.90 0.69 -1.10 0.00 5.85 -1.05 -1.28 115.31 117.52 2jkt h LEU 172 Ca -0.05 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 2jkt h LEU 172 Cb 1.12 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 2jkt h LEU 172 CO 0.01 0.34 -0.19 0.25 -0.34 0.00 0.00 178.44 178.50 2jkt h LEU 173 N 0.73 0.40 -0.49 2.25 5.85 -1.41 0.36 115.31 122.99 2jkt h LEU 173 Ca 0.47 -0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.93 2jkt h LEU 173 Cb 0.74 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2jkt h LEU 173 CO -0.23 0.61 -0.41 -0.09 -0.34 0.00 0.00 178.44 177.98 2jkt h ARG 174 N 0.37 0.78 -0.06 1.25 9.65 -1.26 -2.47 114.38 122.65 2jkt h ARG 174 Ca 0.06 -0.42 -0.09 0.00 -1.10 0.00 0.00 59.98 58.44 2jkt h ARG 174 Cb 0.55 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 2jkt h ARG 174 CO 0.04 1.04 -0.38 -0.07 2.80 0.00 0.00 179.97 183.40 2jkt h LEU 175 N 0.64 0.12 -0.50 3.80 3.38 -0.72 -0.99 115.31 121.03 2jkt h LEU 175 Ca 0.05 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2jkt h LEU 175 Cb 0.97 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2jkt h LEU 175 CO 0.09 0.49 -0.62 0.22 0.09 0.00 0.00 178.44 178.71 2jkt h TYR 176 N 0.10 0.00 0.00 1.13 3.20 -0.87 0.49 116.97 121.02 2jkt h TYR 176 Ca 0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2jkt h TYR 176 Cb 0.72 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.99 2jkt h TYR 176 CO 0.01 0.62 -0.16 0.00 -1.64 0.00 0.00 178.16 176.99 2jkt h ARG 177 N 0.00 0.00 0.00 1.82 3.08 -1.27 -3.15 114.38 114.86 2jkt h ARG 177 Ca -0.01 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 2jkt h ARG 177 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 2jkt h ARG 177 CO 0.08 0.00 -0.82 1.15 -1.07 0.00 0.00 179.97 179.32 2jkt h THR 178 N 0.00 0.98 -2.08 2.04 2.02 -0.85 -3.44 112.91 111.59 2jkt h THR 178 Ca 0.00 -2.03 -0.52 0.00 0.77 0.00 0.00 66.41 64.62 2jkt h THR 178 Cb 0.96 2.15 -0.35 0.00 -1.74 0.00 0.00 68.15 69.17 2jkt h THR 178 CO 0.00 0.33 -0.93 -1.20 0.37 0.00 0.00 175.52 174.09 2jkt n SER 179 N -4.51 -0.80 0.03 4.18 7.64 0.14 -4.98 113.62 115.32 2jkt n SER 179 Ca -0.23 -2.51 0.22 0.00 1.01 0.00 0.00 58.87 57.36 2jkt n SER 179 Cb 0.56 -0.23 0.73 0.00 -1.01 0.00 0.00 64.21 64.25 2jkt n SER 179 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2jkt h PRO 180 N 5.24 0.00 0.21 1.43 0.11 -1.71 0.22 132.00 137.50 2jkt h PRO 180 Ca 0.20 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 2jkt h PRO 180 Cb 0.93 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 2jkt h PRO 180 CO 0.34 0.00 -0.12 0.38 -0.21 0.00 0.00 178.00 178.39 2jkt h ASP 181 N 0.00 -0.29 0.21 -2.05 3.04 -1.91 -2.98 116.42 112.44 2jkt h ASP 181 Ca 0.24 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 54.05 2jkt h ASP 181 Cb 1.18 0.08 0.00 0.00 -1.04 0.00 0.00 39.33 39.56 2jkt h ASP 181 CO -0.00 -0.20 0.00 -0.07 -2.04 0.00 0.00 179.24 176.93 2jkt h LEU 182 N -0.31 0.00 -8.47 0.15 3.38 -0.90 -3.35 115.31 105.80 2jkt h LEU 182 Ca -0.02 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.24 2jkt h LEU 182 Cb 0.25 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.81 2jkt h LEU 182 CO 0.03 0.00 -0.25 -0.69 0.09 0.00 0.00 178.44 177.62 2jkt s VAL 183 N -3.84 5.13 0.00 1.22 1.01 -1.13 -4.79 120.40 118.00 2jkt s VAL 183 Ca -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2jkt s VAL 183 Cb 0.10 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2jkt s VAL 183 CO 0.37 -0.47 0.00 -2.65 0.00 0.00 0.00 175.10 172.35 2jkt n PRO 184 N 5.50 2.96 -2.70 2.72 -0.02 -1.26 -4.94 135.00 137.26 2jkt n PRO 184 Ca -0.09 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.33 2jkt n PRO 184 Cb 0.46 0.00 0.06 0.00 -0.02 0.00 0.00 33.50 34.00 2jkt n PRO 184 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2jkt n MET 185 N 0.00 1.27 0.00 -0.52 2.81 -1.26 -5.10 117.12 114.32 2jkt n MET 185 Ca 0.00 -2.85 0.00 0.00 -1.81 0.00 0.00 57.70 53.04 2jkt n MET 185 Cb 0.00 -0.94 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 2jkt n MET 185 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jkt n GLY 186 N -0.37 -2.58 0.19 3.03 0.00 -1.26 -4.76 105.19 99.45 2jkt n GLY 186 Ca 0.04 -0.84 0.10 0.00 0.00 0.00 0.00 46.02 45.32 2jkt n GLY 186 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2jkt h ASP 187 N 0.00 0.00 0.33 1.61 3.04 -2.05 -3.22 116.42 116.14 2jkt h ASP 187 Ca 0.00 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.78 2jkt h ASP 187 Cb 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2jkt h ASP 187 CO 0.00 0.09 -0.06 4.11 -2.04 0.00 0.00 179.24 181.34 2jkt h TRP 188 N 0.00 0.00 -0.05 4.15 5.08 -1.97 -3.28 115.95 119.87 2jkt h TRP 188 Ca -0.00 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.97 2jkt h TRP 188 Cb 1.07 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.22 2jkt h TRP 188 CO 0.00 0.06 -0.04 1.15 -1.28 0.00 0.00 178.44 178.34 2jkt h THR 189 N 0.00 0.00 -0.08 0.12 2.02 -1.85 0.42 112.91 113.54 2jkt h THR 189 Ca -0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 2jkt h THR 189 Cb 0.25 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 2jkt h THR 189 CO 0.01 0.00 0.12 0.77 0.37 0.00 0.00 175.52 176.79 2jkt h SER 190 N -0.01 0.00 0.04 4.18 4.64 -1.85 -0.12 113.55 120.43 2jkt h SER 190 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2jkt h SER 190 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2jkt h SER 190 CO -0.05 0.00 -0.12 0.54 -0.87 0.00 0.00 176.83 176.33 2jkt n ARG 191 N -3.62 1.59 -0.05 4.77 1.74 0.68 -2.28 116.66 119.49 2jkt n ARG 191 Ca -0.01 -1.10 -0.18 0.00 -0.77 0.00 0.00 57.85 55.78 2jkt n ARG 191 Cb 0.21 -1.48 -0.13 0.00 -1.02 0.00 0.00 32.46 30.04 2jkt n ARG 191 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2jkt n VAL 192 N 0.26 1.65 -0.29 1.55 0.31 0.11 -4.03 118.33 117.90 2jkt n VAL 192 Ca 0.15 -0.65 0.01 0.00 -0.01 0.00 0.00 64.34 63.84 2jkt n VAL 192 Cb 0.43 -1.50 0.14 0.00 -0.91 0.00 0.00 33.84 32.01 2jkt n VAL 192 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jkt h VAL 193 N 0.04 0.97 0.00 2.52 2.07 -1.37 -0.85 116.25 119.63 2jkt h VAL 193 Ca -0.47 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 2jkt h VAL 193 Cb 2.00 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2jkt h VAL 193 CO 0.02 0.15 -0.00 -0.74 0.02 0.00 0.00 177.57 177.03 2jkt h HIS 194 N 0.84 0.00 0.00 1.57 6.17 -1.61 -2.15 115.15 119.97 2jkt h HIS 194 Ca 0.37 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.45 2jkt h HIS 194 Cb 0.26 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.19 2jkt h HIS 194 CO -0.05 0.00 0.00 -0.07 0.71 0.00 0.00 177.93 178.52 2jkt h LEU 195 N 0.00 0.00 -1.71 0.26 3.38 -1.28 -2.23 115.31 113.73 2jkt h LEU 195 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2jkt h LEU 195 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2jkt h LEU 195 CO 0.00 0.00 -0.18 -0.07 0.09 0.00 0.00 178.44 178.28 2jkt h LEU 196 N 0.00 0.00 -1.16 1.67 3.38 -1.54 -1.23 115.31 116.44 2jkt h LEU 196 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jkt h LEU 196 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2jkt h LEU 196 CO 0.00 0.18 0.00 0.59 0.09 0.00 0.00 178.44 179.30 2jkt n ASN 197 N -3.90 1.70 -4.74 -0.43 3.02 -0.84 -4.85 115.26 105.23 2jkt n ASN 197 Ca -0.02 -1.86 -0.36 0.00 -0.03 0.00 0.00 54.58 52.32 2jkt n ASN 197 Cb 0.27 -0.17 0.06 0.00 -0.61 0.00 0.00 39.78 39.33 2jkt n ASN 197 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2jkt s ASP 198 N -1.26 4.83 0.05 6.41 -1.08 -0.46 -4.93 116.67 120.22 2jkt s ASP 198 Ca 0.27 2.42 -0.25 0.00 -0.52 0.00 0.00 52.55 54.47 2jkt s ASP 198 Cb 0.14 -2.60 -0.17 0.00 -1.46 0.00 0.00 42.92 38.83 2jkt s ASP 198 CO 0.20 -1.84 1.53 -0.61 0.52 0.00 0.00 175.17 174.97 2jkt h GLN 199 N 0.51 -0.09 -6.35 4.34 4.15 -1.92 -3.42 115.11 112.32 2jkt h GLN 199 Ca -0.50 0.01 -0.54 0.00 0.77 0.00 0.00 58.65 58.39 2jkt h GLN 199 Cb 1.30 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.02 2jkt h GLN 199 CO 0.53 0.11 0.94 -1.58 -1.93 0.00 0.00 178.83 176.91 2jkt s HIS 200 N -5.42 2.53 0.30 3.99 2.46 -1.26 -4.92 115.29 112.98 2jkt s HIS 200 Ca -0.14 0.55 0.10 0.00 0.47 0.00 0.00 55.06 56.04 2jkt s HIS 200 Cb 0.04 -3.79 0.48 0.00 -0.13 0.00 0.00 32.58 29.17 2jkt s HIS 200 CO 0.65 -3.11 1.69 -0.07 -2.47 0.00 0.00 174.74 171.43 2jkt h LEU 201 N 8.95 0.05 -1.43 8.88 3.38 -2.00 -2.90 115.31 130.24 2jkt h LEU 201 Ca -0.39 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 2jkt h LEU 201 Cb 1.18 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2jkt h LEU 201 CO 0.93 0.56 -0.15 1.23 0.09 0.00 0.00 178.44 181.09 2jkt h GLY 202 N 1.51 0.00 0.66 0.83 0.00 -1.96 -0.46 103.07 103.64 2jkt h GLY 202 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2jkt h GLY 202 CO 0.07 0.00 -0.04 -2.08 0.00 0.00 0.00 176.54 174.49 2jkt h VAL 203 N 0.00 1.33 -0.45 4.60 2.07 -1.84 -2.60 116.25 119.36 2jkt h VAL 203 Ca -0.00 -1.07 0.07 0.00 0.82 0.00 0.00 66.70 66.51 2jkt h VAL 203 Cb 0.58 1.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.18 2jkt h VAL 203 CO 0.02 0.30 0.13 0.58 0.02 0.00 0.00 177.57 178.61 2jkt h VAL 204 N -0.22 0.80 -0.76 2.57 2.07 -1.28 0.16 116.25 119.59 2jkt h VAL 204 Ca 0.02 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.50 2jkt h VAL 204 Cb 0.49 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 2jkt h VAL 204 CO 0.01 0.05 0.50 0.74 0.02 0.00 0.00 177.57 178.89 2jkt h THR 205 N 0.28 1.06 0.11 2.57 2.02 -1.14 -0.14 112.91 117.66 2jkt h THR 205 Ca 0.22 -0.29 -0.27 0.00 0.77 0.00 0.00 66.41 66.83 2jkt h THR 205 Cb 0.25 0.14 0.03 0.00 -1.74 0.00 0.00 68.15 66.82 2jkt h THR 205 CO -0.25 0.16 -1.14 0.00 0.37 0.00 0.00 175.52 174.65 2jkt h ALA 206 N 1.58 -0.01 -0.62 6.16 0.00 -1.00 -3.20 119.26 122.17 2jkt h ALA 206 Ca 0.32 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2jkt h ALA 206 Cb 0.18 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2jkt h ALA 206 CO -0.10 0.62 0.26 0.00 0.00 0.00 0.00 179.25 180.03 2jkt h ALA 207 N 0.27 1.30 0.00 0.00 0.00 -0.41 -2.92 119.26 117.49 2jkt h ALA 207 Ca -0.17 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 2jkt h ALA 207 Cb 1.83 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 2jkt h ALA 207 CO 0.22 0.53 -0.50 1.15 0.00 0.00 0.00 179.25 180.64 2jkt h THR 208 N 0.88 1.18 -0.15 0.00 2.02 -1.10 0.16 112.91 115.91 2jkt h THR 208 Ca 0.21 -1.83 -0.21 0.00 0.77 0.00 0.00 66.41 65.35 2jkt h THR 208 Cb 0.15 2.04 0.01 0.00 -1.74 0.00 0.00 68.15 68.60 2jkt h THR 208 CO -0.02 0.49 -0.75 0.28 0.37 0.00 0.00 175.52 175.89 2jkt h SER 209 N 0.00 0.85 -0.41 4.18 0.02 -1.52 -2.35 113.55 114.32 2jkt h SER 209 Ca -0.01 -0.55 -0.06 0.00 -0.84 0.00 0.00 61.79 60.34 2jkt h SER 209 Cb 1.00 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 2jkt h SER 209 CO 0.07 1.33 0.02 0.25 -1.14 0.00 0.00 176.83 177.36 2jkt h LEU 210 N 0.49 0.69 -1.04 5.07 5.85 -1.30 -2.83 115.31 122.24 2jkt h LEU 210 Ca -0.04 -0.29 -0.10 0.00 0.84 0.00 0.00 57.88 58.29 2jkt h LEU 210 Cb 1.37 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2jkt h LEU 210 CO 0.15 0.81 -0.40 0.40 -0.34 0.00 0.00 178.44 179.05 2jkt h ILE 211 N 0.54 1.30 0.01 4.05 2.04 -0.70 -2.17 117.51 122.59 2jkt h ILE 211 Ca 0.12 -1.47 -0.20 0.00 1.00 0.00 0.00 64.86 64.32 2jkt h ILE 211 Cb 0.44 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 2jkt h ILE 211 CO 0.02 0.43 -0.90 0.74 0.00 0.00 0.00 178.15 178.44 2jkt h THR 212 N 0.13 1.55 0.00 -0.27 2.02 -1.36 -0.85 112.91 114.14 2jkt h THR 212 Ca 0.01 -2.81 -0.15 0.00 0.77 0.00 0.00 66.41 64.23 2jkt h THR 212 Cb 0.77 2.56 -0.02 0.00 -1.74 0.00 0.00 68.15 69.72 2jkt h THR 212 CO 0.06 0.81 -0.90 0.74 0.37 0.00 0.00 175.52 176.60 2jkt h THR 213 N 0.06 0.87 -0.01 3.16 2.02 -1.39 -3.25 112.91 114.37 2jkt h THR 213 Ca -0.03 -2.34 -0.02 0.00 0.77 0.00 0.00 66.41 64.79 2jkt h THR 213 Cb 1.55 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 70.32 2jkt h THR 213 CO 0.13 0.50 -0.07 -0.07 0.37 0.00 0.00 175.52 176.37 2jkt h LEU 214 N 0.00 0.08 -2.04 2.58 3.38 -1.40 -3.29 115.31 114.61 2jkt h LEU 214 Ca -0.06 -0.73 0.05 0.00 0.09 0.00 0.00 57.88 57.23 2jkt h LEU 214 Cb 1.53 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 2jkt h LEU 214 CO 0.07 0.79 0.35 0.00 0.09 0.00 0.00 178.44 179.74 2jkt h ALA 215 N 0.28 1.66 0.00 1.53 0.00 -1.24 -1.20 119.26 120.30 2jkt h ALA 215 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jkt h ALA 215 Cb 0.80 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2jkt h ALA 215 CO 0.01 -0.44 0.00 1.04 0.00 0.00 0.00 179.25 179.87 2jkt n GLN 216 N -3.29 0.02 0.00 0.00 6.02 -1.23 -1.17 117.38 117.74 2jkt n GLN 216 Ca 0.02 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 2jkt n GLN 216 Cb 0.45 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.21 2jkt n GLN 216 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2jkt n LYS 217 N -1.48 0.00 -2.71 -1.09 5.02 -0.56 -4.81 118.16 112.52 2jkt n LYS 217 Ca 0.05 -0.14 -0.06 0.00 -2.02 0.00 0.00 58.31 56.14 2jkt n LYS 217 Cb 0.22 -0.49 0.04 0.00 -0.02 0.00 0.00 35.03 34.77 2jkt n LYS 217 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2jkt n ASN 218 N 0.00 1.40 -0.30 4.39 3.02 -0.59 -4.97 115.26 118.22 2jkt n ASN 218 Ca 0.00 -2.50 0.20 0.00 -0.03 0.00 0.00 54.58 52.26 2jkt n ASN 218 Cb 0.32 -0.48 0.49 0.00 -0.61 0.00 0.00 39.78 39.50 2jkt n ASN 218 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2jkt h PRO 219 N 2.85 0.42 -0.03 3.52 0.11 -1.37 -0.88 132.00 136.62 2jkt h PRO 219 Ca -0.12 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.79 2jkt h PRO 219 Cb 1.21 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2jkt h PRO 219 CO 0.39 0.28 -0.77 0.93 -0.21 0.00 0.00 178.00 178.62 2jkt h GLU 220 N 0.43 0.23 0.00 1.05 4.39 -1.93 -2.31 114.58 116.44 2jkt h GLU 220 Ca 0.55 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.98 2jkt h GLU 220 Cb 1.33 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.02 2jkt h GLU 220 CO -0.25 0.89 -0.26 1.49 -1.16 0.00 0.00 179.01 179.71 2jkt h GLU 221 N 0.15 0.00 -0.20 2.33 4.57 -1.55 -3.21 114.58 116.66 2jkt h GLU 221 Ca -0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2jkt h GLU 221 Cb 1.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 2jkt h GLU 221 CO 0.12 0.26 0.00 1.19 -1.18 0.00 0.00 179.01 179.40 2jkt n PHE 222 N -4.02 0.26 0.00 0.92 3.01 -1.16 -4.59 117.46 111.89 2jkt n PHE 222 Ca -0.02 -0.44 0.00 0.00 1.01 0.00 0.00 57.45 58.01 2jkt n PHE 222 Cb 0.33 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 2jkt n PHE 222 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2jkt n LYS 223 N 0.19 0.00 0.22 -1.08 4.81 -0.88 -0.45 118.16 120.98 2jkt n LYS 223 Ca 0.07 0.37 0.13 0.00 -0.87 0.00 0.00 58.31 58.00 2jkt n LYS 223 Cb 0.34 -1.60 0.23 0.00 0.02 0.00 0.00 35.03 34.02 2jkt n LYS 223 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2jkt h THR 224 N 0.00 0.00 0.00 3.15 2.02 -1.85 -3.28 112.91 112.95 2jkt h THR 224 Ca 0.00 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.26 2jkt h THR 224 Cb 0.20 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2jkt h THR 224 CO 0.00 0.00 0.00 0.77 0.37 0.00 0.00 175.52 176.66 2jkt h SER 225 N 0.00 0.00 -0.25 4.18 4.64 -1.13 -3.27 113.55 117.73 2jkt h SER 225 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2jkt h SER 225 Cb 0.94 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 2jkt h SER 225 CO 0.00 0.00 -0.12 0.58 -0.87 0.00 0.00 176.83 176.42 2jkt h VAL 226 N 0.00 1.30 -0.72 0.95 2.07 -1.74 -0.29 116.25 117.83 2jkt h VAL 226 Ca 0.00 -1.20 0.16 0.00 0.82 0.00 0.00 66.70 66.48 2jkt h VAL 226 Cb 0.78 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 2jkt h VAL 226 CO 0.00 0.37 0.49 -1.28 0.02 0.00 0.00 177.57 177.17 2jkt h SER 227 N 0.24 0.27 0.00 0.57 0.87 -1.79 -2.54 113.55 111.17 2jkt h SER 227 Ca 0.06 0.02 -0.20 0.00 -1.23 0.00 0.00 61.79 60.44 2jkt h SER 227 Cb 0.62 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.52 2jkt h SER 227 CO 0.04 0.14 -1.12 -0.07 -0.53 0.00 0.00 176.83 175.28 2jkt h LEU 228 N 0.29 0.00 -1.91 2.23 3.38 -1.67 -3.05 115.31 114.58 2jkt h LEU 228 Ca 0.35 -0.47 0.24 0.00 0.09 0.00 0.00 57.88 58.09 2jkt h LEU 228 Cb 0.96 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 2jkt h LEU 228 CO -0.09 1.39 0.61 0.00 0.09 0.00 0.00 178.44 180.44 2jkt h ALA 229 N -0.53 2.69 0.36 1.53 0.00 -1.01 0.34 119.26 122.64 2jkt h ALA 229 Ca -0.30 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2jkt h ALA 229 Cb 1.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2jkt h ALA 229 CO -0.18 -0.94 -0.17 0.28 0.00 0.00 0.00 179.25 178.23 2jkt h VAL 230 N 0.07 0.38 -0.60 0.00 2.07 -1.60 -1.72 116.25 114.85 2jkt h VAL 230 Ca 0.42 -0.70 0.18 0.00 0.82 0.00 0.00 66.70 67.41 2jkt h VAL 230 Cb 1.54 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2jkt h VAL 230 CO -0.04 0.08 0.49 0.28 0.02 0.00 0.00 177.57 178.41 2jkt h SER 231 N -1.00 0.00 0.03 0.57 0.02 -0.40 0.91 113.55 113.67 2jkt h SER 231 Ca -0.05 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.70 2jkt h SER 231 Cb 0.51 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 2jkt h SER 231 CO 0.08 0.00 -1.09 0.03 -1.14 0.00 0.00 176.83 174.71 2jkt h ARG 232 N 0.00 0.06 -0.43 3.45 2.47 -0.62 -2.98 114.38 116.33 2jkt h ARG 232 Ca 0.29 -0.10 0.11 0.00 -1.26 0.00 0.00 59.98 59.02 2jkt h ARG 232 Cb 1.27 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.60 2jkt h ARG 232 CO -0.00 1.05 0.30 1.25 0.56 0.00 0.00 179.97 183.13 2jkt h LEU 233 N -0.82 0.05 -0.10 3.04 5.85 -0.87 0.20 115.31 122.66 2jkt h LEU 233 Ca -0.28 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 2jkt h LEU 233 Cb 1.37 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 2jkt h LEU 233 CO -0.11 0.03 0.01 0.28 -0.34 0.00 0.00 178.44 178.31 2jkt h SER 234 N 0.06 0.16 1.02 1.25 0.02 -0.95 -2.93 113.55 112.18 2jkt h SER 234 Ca 0.20 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 2jkt h SER 234 Cb 0.73 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 2jkt h SER 234 CO -0.01 0.40 -0.07 0.03 -1.14 0.00 0.00 176.83 176.03 2jkt h ARG 235 N -0.08 0.00 0.03 3.45 3.08 -0.83 -3.09 114.38 116.95 2jkt h ARG 235 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2jkt h ARG 235 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2jkt h ARG 235 CO 0.00 0.07 -0.01 0.82 -1.07 0.00 0.00 179.97 179.78 2jkt h ILE 236 N 0.00 1.04 0.00 2.04 2.04 -0.67 -3.26 117.51 118.69 2jkt h ILE 236 Ca -0.00 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.18 2jkt h ILE 236 Cb 0.60 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 2jkt h ILE 236 CO 0.01 0.34 0.00 1.33 0.00 0.00 0.00 178.15 179.83 2jkt n VAL 237 N -4.72 0.00 0.00 1.67 0.24 -1.11 -3.94 118.33 110.47 2jkt n VAL 237 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 2jkt n VAL 237 Cb 0.28 -0.54 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 2jkt n VAL 237 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2jkt n THR 238 N -0.93 0.00 -1.67 3.34 -2.24 -1.17 -4.96 114.28 106.65 2jkt n THR 238 Ca 0.17 0.00 -0.61 0.00 -2.27 0.00 0.00 64.05 61.34 2jkt n THR 238 Cb 0.08 -0.50 -0.08 0.00 -2.10 0.00 0.00 70.33 67.72 2jkt n THR 238 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2jkt n SER 239 N -0.73 1.46 0.00 3.42 3.41 -1.23 -4.92 113.62 115.03 2jkt n SER 239 Ca 0.00 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 2jkt n SER 239 Cb 0.00 -1.02 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 2jkt n SER 239 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jkt n ALA 240 N 3.84 0.00 0.08 7.33 0.00 -1.26 -4.81 120.51 125.69 2jkt n ALA 240 Ca 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.70 2jkt n ALA 240 Cb 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.46 2jkt n ALA 240 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2jkt h SER 241 N 0.00 0.00 0.64 0.00 0.02 -1.92 -3.36 113.55 108.93 2jkt h SER 241 Ca 0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 2jkt h SER 241 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2jkt h SER 241 CO 0.00 0.62 -1.02 0.71 -1.14 0.00 0.00 176.83 175.99 2jkt h THR 242 N 0.00 1.52 -1.83 -2.27 1.35 -1.97 -3.43 112.91 106.28 2jkt h THR 242 Ca -0.09 -2.88 -0.08 0.00 -0.55 0.00 0.00 66.41 62.81 2jkt h THR 242 Cb 1.55 2.68 0.04 0.00 -1.73 0.00 0.00 68.15 70.69 2jkt h THR 242 CO 0.06 0.84 0.02 0.47 -0.25 0.00 0.00 175.52 176.66 2jkt n ASP 243 N -3.58 -1.34 -3.10 5.36 8.00 -1.26 -4.08 116.55 116.55 2jkt n ASP 243 Ca -0.05 -0.59 -0.11 0.00 0.71 0.00 0.00 54.79 54.75 2jkt n ASP 243 Cb 0.90 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.76 2jkt n ASP 243 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2jkt n LEU 244 N 0.00 -0.33 0.00 0.64 4.77 -1.26 -4.72 117.00 116.10 2jkt n LEU 244 Ca 0.03 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 2jkt n LEU 244 Cb 0.12 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2jkt n LEU 244 CO 0.08 0.16 0.49 0.00 -1.33 0.00 0.00 177.39 176.79 2jkt n GLN 245 N -2.22 0.00 0.27 3.23 6.02 -1.26 -2.46 117.38 120.97 2jkt n GLN 245 Ca -0.11 0.83 0.12 0.00 -0.01 0.00 0.00 57.00 57.84 2jkt n GLN 245 Cb 0.24 -1.47 0.77 0.00 1.02 0.00 0.00 30.24 30.79 2jkt n GLN 245 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2jkt h ASP 246 N 0.00 0.00 0.10 1.08 3.32 -1.94 -2.62 116.42 116.35 2jkt h ASP 246 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jkt h ASP 246 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2jkt h ASP 246 CO 0.00 0.06 -0.24 -1.22 -1.72 0.00 0.00 179.24 176.13 2jkt n TYR 247 N -3.92 0.00 -2.52 4.55 4.02 -1.03 -4.85 117.16 113.41 2jkt n TYR 247 Ca -0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.44 2jkt n TYR 247 Cb 0.15 -0.05 -0.02 0.00 -0.02 0.00 0.00 39.34 39.40 2jkt n TYR 247 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jkt s THR 248 N -2.34 4.42 -0.33 -0.72 2.01 -0.99 -1.73 115.64 115.96 2jkt s THR 248 Ca 0.26 1.70 0.01 0.00 0.31 0.00 0.00 61.69 63.97 2jkt s THR 248 Cb 0.19 -4.15 0.08 0.00 0.01 0.00 0.00 72.50 68.63 2jkt s THR 248 CO 0.47 -0.21 0.04 -0.47 -0.69 0.00 0.00 174.62 173.76 2jkt s TYR 249 N 3.49 3.51 -1.57 4.92 5.04 -1.01 -4.65 117.35 127.08 2jkt s TYR 249 Ca 0.50 -2.48 -0.01 0.00 -2.44 0.00 0.00 57.07 52.64 2jkt s TYR 249 Cb -0.18 -2.60 0.00 0.00 0.35 0.00 0.00 41.96 39.53 2jkt s TYR 249 CO 0.12 -0.91 0.18 0.66 -1.34 0.00 0.00 175.55 174.27 2jkt n TYR 250 N 4.45 -1.20 -0.57 4.97 4.02 -1.26 -2.26 117.16 125.31 2jkt n TYR 250 Ca -0.05 0.16 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 2jkt n TYR 250 Cb 0.42 -3.90 0.00 0.00 -0.02 0.00 0.00 39.34 35.84 2jkt n TYR 250 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2jkt n PHE 251 N -4.15 0.00 -3.52 -0.72 0.99 -1.26 -4.48 117.46 104.32 2jkt n PHE 251 Ca -0.19 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 56.84 2jkt n PHE 251 Cb 0.65 0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 39.04 2jkt n PHE 251 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 2jkt s VAL 252 N -2.75 4.59 -0.45 -4.37 1.01 -0.96 -4.95 120.40 112.53 2jkt s VAL 252 Ca 0.00 -1.31 -0.27 0.00 0.00 0.00 0.00 61.98 60.39 2jkt s VAL 252 Cb 0.00 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2jkt s VAL 252 CO 0.00 -0.56 1.98 -2.16 0.00 0.00 0.00 175.10 174.37 2jkt s PRO 253 N 1.50 2.82 -0.81 2.72 0.04 -1.26 -2.42 135.00 137.59 2jkt s PRO 253 Ca 0.03 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.25 2jkt s PRO 253 Cb -0.24 -4.36 -0.01 0.00 0.04 0.00 0.00 34.50 29.94 2jkt s PRO 253 CO 0.03 -2.47 0.70 0.00 0.04 0.00 0.00 177.00 175.31 2jkt n ALA 254 N 12.41 -2.57 -0.09 8.56 0.00 -0.70 -4.81 120.51 133.30 2jkt n ALA 254 Ca 0.25 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.51 2jkt n ALA 254 Cb 0.50 -1.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.07 2jkt n ALA 254 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2jkt h PRO 255 N 0.00 0.46 0.19 0.00 0.11 -1.80 -2.13 132.00 128.84 2jkt h PRO 255 Ca -0.24 -0.15 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 2jkt h PRO 255 Cb 1.14 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2jkt h PRO 255 CO 0.34 0.64 -0.09 -1.49 -0.21 0.00 0.00 178.00 177.19 2jkt h TRP 256 N 0.23 -0.24 -0.84 0.65 6.55 -1.93 0.11 115.95 120.48 2jkt h TRP 256 Ca 0.07 -0.01 0.14 0.00 0.95 0.00 0.00 58.89 60.05 2jkt h TRP 256 Cb 0.45 0.08 -0.09 0.00 -0.86 0.00 0.00 29.16 28.73 2jkt h TRP 256 CO 0.04 -0.05 0.43 1.25 -1.05 0.00 0.00 178.44 179.06 2jkt h LEU 257 N -0.39 0.52 -0.67 -4.49 5.85 -1.94 -0.36 115.31 113.84 2jkt h LEU 257 Ca -0.03 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2jkt h LEU 257 Cb 0.30 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2jkt h LEU 257 CO 0.04 0.22 0.34 0.28 -0.34 0.00 0.00 178.44 178.99 2jkt h SER 258 N 0.62 0.86 0.39 1.25 0.02 -0.77 -0.21 113.55 115.70 2jkt h SER 258 Ca 0.46 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.23 2jkt h SER 258 Cb 0.64 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2jkt h SER 258 CO -0.36 0.73 -0.30 0.58 -1.14 0.00 0.00 176.83 176.34 2jkt h VAL 259 N 0.92 1.08 0.13 2.27 2.07 0.16 -2.31 116.25 120.58 2jkt h VAL 259 Ca 0.23 -1.07 -0.27 0.00 0.82 0.00 0.00 66.70 66.41 2jkt h VAL 259 Cb 0.08 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2jkt h VAL 259 CO -0.03 0.29 -1.24 0.11 0.02 0.00 0.00 177.57 176.72 2jkt h LYS 260 N 0.00 0.27 -0.05 1.57 1.57 -0.18 -2.48 116.57 117.27 2jkt h LYS 260 Ca -0.00 -0.47 -0.13 0.00 -1.87 0.00 0.00 60.65 58.19 2jkt h LYS 260 Cb 0.57 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 2jkt h LYS 260 CO 0.04 1.22 -0.54 -0.07 -0.57 0.00 0.00 179.45 179.53 2jkt h LEU 261 N 0.08 0.17 -0.12 2.94 3.38 -0.97 -1.31 115.31 119.48 2jkt h LEU 261 Ca -0.13 -0.09 -0.24 0.00 0.09 0.00 0.00 57.88 57.51 2jkt h LEU 261 Cb 1.97 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 42.68 2jkt h LEU 261 CO 0.20 0.68 -0.89 -0.07 0.09 0.00 0.00 178.44 178.45 2jkt h LEU 262 N 0.12 0.86 -1.42 1.67 3.38 -1.46 -1.37 115.31 117.09 2jkt h LEU 262 Ca 0.00 -0.62 -0.05 0.00 0.09 0.00 0.00 57.88 57.29 2jkt h LEU 262 Cb 0.99 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2jkt h LEU 262 CO 0.08 1.42 -0.26 -0.09 0.09 0.00 0.00 178.44 179.68 2jkt h ARG 263 N 0.44 0.00 -0.13 1.13 9.65 -1.42 -2.97 114.38 121.08 2jkt h ARG 263 Ca -0.08 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.57 2jkt h ARG 263 Cb 1.53 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 30.12 2jkt h ARG 263 CO 0.18 0.26 -0.83 1.25 2.80 0.00 0.00 179.97 183.63 2jkt h LEU 264 N 0.00 0.93 -1.05 3.80 5.85 -0.97 -3.00 115.31 120.87 2jkt h LEU 264 Ca -0.00 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.08 2jkt h LEU 264 Cb 0.60 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.35 2jkt h LEU 264 CO 0.03 1.43 0.00 0.18 -0.34 0.00 0.00 178.44 179.75 2jkt n LEU 265 N -3.92 0.63 0.08 2.25 4.77 -0.54 -1.83 117.00 118.44 2jkt n LEU 265 Ca -0.08 0.71 0.13 0.00 -0.03 0.00 0.00 56.01 56.74 2jkt n LEU 265 Cb 0.77 -0.70 0.31 0.00 -2.33 0.00 0.00 43.42 41.48 2jkt n LEU 265 CO 0.53 -0.75 0.65 0.00 -1.33 0.00 0.00 177.39 176.50 2jkt n GLN 266 N -2.26 0.25 0.00 3.23 6.02 -1.13 -3.00 117.38 120.49 2jkt n GLN 266 Ca 0.00 0.14 0.11 0.00 -0.01 0.00 0.00 57.00 57.24 2jkt n GLN 266 Cb 0.14 -1.73 0.64 0.00 1.02 0.00 0.00 30.24 30.31 2jkt n GLN 266 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jkt s TYR 268 N -2.00 1.14 0.93 0.00 1.51 -1.16 -4.95 117.35 112.82 2jkt s TYR 268 Ca 0.32 -1.26 -0.15 0.00 -1.01 0.00 0.00 57.07 54.98 2jkt s TYR 268 Cb 0.15 -0.61 0.16 0.00 -0.11 0.00 0.00 41.96 41.55 2jkt s TYR 268 CO 0.25 -0.50 1.24 -2.14 -1.11 0.00 0.00 175.55 173.29 2jkt s PRO 269 N -4.08 0.96 0.42 -1.71 0.02 -1.26 -4.99 135.00 124.37 2jkt s PRO 269 Ca 0.33 -0.15 -0.25 0.00 0.02 0.00 0.00 61.00 60.94 2jkt s PRO 269 Cb 0.07 -1.86 -0.10 0.00 0.02 0.00 0.00 34.50 32.63 2jkt s PRO 269 CO 0.08 -2.24 1.25 -2.30 -0.33 0.00 0.00 177.00 173.47 2jkt n PRO 270 N -3.70 1.89 -1.65 5.54 -0.02 -1.26 -4.73 135.00 131.07 2jkt n PRO 270 Ca 0.12 0.67 -0.56 0.00 -2.02 0.00 0.00 63.50 61.71 2jkt n PRO 270 Cb 0.60 -2.36 -0.07 0.00 -0.02 0.00 0.00 33.50 31.65 2jkt n PRO 270 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2jkt n PRO 271 N 0.06 0.94 -0.33 0.52 -0.02 -1.26 -4.81 135.00 130.10 2jkt n PRO 271 Ca 0.07 0.34 -0.01 0.00 -2.02 0.00 0.00 63.50 61.89 2jkt n PRO 271 Cb 0.39 -1.98 0.13 0.00 -0.02 0.00 0.00 33.50 32.02 2jkt n PRO 271 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2jkt h GLU 272 N 5.59 1.08 -6.00 -0.52 9.09 -1.99 -3.37 114.58 118.45 2jkt h GLU 272 Ca -0.47 -0.06 -0.58 0.00 0.05 0.00 0.00 59.36 58.29 2jkt h GLU 272 Cb 1.34 -0.24 -0.07 0.00 -1.65 0.00 0.00 28.75 28.13 2jkt h GLU 272 CO 0.86 0.71 0.56 0.34 0.05 0.00 0.00 179.01 181.54 2jkt s ASP 273 N -5.89 7.02 0.49 3.06 -1.08 -1.26 -4.96 116.67 114.04 2jkt s ASP 273 Ca -0.13 1.26 0.32 0.00 -0.52 0.00 0.00 52.55 53.48 2jkt s ASP 273 Cb 0.18 -2.49 1.42 0.00 -1.46 0.00 0.00 42.92 40.57 2jkt s ASP 273 CO 0.80 -0.52 1.76 -0.65 0.52 0.00 0.00 175.17 177.08 2jkt h PRO 274 N 7.41 0.12 -0.17 4.34 0.11 -1.97 0.14 132.00 141.98 2jkt h PRO 274 Ca -0.25 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.81 2jkt h PRO 274 Cb 1.10 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2jkt h PRO 274 CO 0.89 0.08 -0.08 0.00 -0.21 0.00 0.00 178.00 178.69 2jkt h ALA 275 N 1.46 0.23 0.12 -0.75 0.00 -1.94 -1.14 119.26 117.25 2jkt h ALA 275 Ca 0.63 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2jkt h ALA 275 Cb 2.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.93 2jkt h ALA 275 CO -0.14 0.04 -0.06 0.28 0.00 0.00 0.00 179.25 179.37 2jkt h VAL 276 N 0.03 1.07 -0.52 0.00 2.07 -1.53 -1.58 116.25 115.79 2jkt h VAL 276 Ca 0.04 -0.90 0.15 0.00 0.82 0.00 0.00 66.70 66.81 2jkt h VAL 276 Cb 0.55 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 2jkt h VAL 276 CO 0.02 0.21 0.47 -0.09 0.02 0.00 0.00 177.57 178.20 2jkt h ARG 277 N -0.60 0.00 0.33 1.57 2.43 -0.89 -0.95 114.38 116.27 2jkt h ARG 277 Ca -0.02 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2jkt h ARG 277 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2jkt h ARG 277 CO 0.03 0.00 -0.16 0.78 -1.51 0.00 0.00 179.97 179.11 2jkt h GLY 278 N 0.00 -0.46 0.99 2.80 0.00 -0.82 -2.95 103.07 102.64 2jkt h GLY 278 Ca 0.25 0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.71 2jkt h GLY 278 CO -0.00 -0.17 0.19 -0.09 0.00 0.00 0.00 176.54 176.48 2jkt h ARG 279 N -0.90 0.84 -0.88 4.80 2.43 -0.30 -1.16 114.38 119.22 2jkt h ARG 279 Ca -0.04 -0.17 0.07 0.00 -0.81 0.00 0.00 59.98 59.02 2jkt h ARG 279 Cb 0.52 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.89 2jkt h ARG 279 CO 0.07 0.75 0.57 1.25 -1.51 0.00 0.00 179.97 181.11 2jkt h LEU 280 N 0.76 0.86 -0.15 3.80 5.85 -1.34 0.11 115.31 125.21 2jkt h LEU 280 Ca 0.18 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 2jkt h LEU 280 Cb 0.24 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2jkt h LEU 280 CO -0.01 0.55 -0.32 0.74 -0.34 0.00 0.00 178.44 179.05 2jkt h THR 281 N 0.97 0.57 -0.19 1.05 2.02 -1.24 -2.27 112.91 113.82 2jkt h THR 281 Ca 0.38 -1.72 -0.15 0.00 0.77 0.00 0.00 66.41 65.69 2jkt h THR 281 Cb 0.23 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 2jkt h THR 281 CO -0.14 0.31 -0.46 -0.33 0.37 0.00 0.00 175.52 175.27 2jkt h GLU 282 N 0.00 0.65 -0.83 6.66 5.08 0.02 -2.28 114.58 123.88 2jkt h GLU 282 Ca -0.00 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 57.88 2jkt h GLU 282 Cb 1.19 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 2jkt h GLU 282 CO 0.04 1.06 0.38 0.00 -1.00 0.00 0.00 179.01 179.50 2jkt h LEU 284 N 1.19 0.49 -1.13 0.00 3.38 -1.48 -0.33 115.31 117.44 2jkt h LEU 284 Ca 0.28 -0.27 0.17 0.00 0.09 0.00 0.00 57.88 58.15 2jkt h LEU 284 Cb 0.15 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 2jkt h LEU 284 CO -0.03 0.96 0.61 -0.33 0.09 0.00 0.00 178.44 179.74 2jkt h GLU 285 N 0.33 0.73 0.06 1.13 4.39 -0.77 -2.33 114.58 118.13 2jkt h GLU 285 Ca 0.00 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 2jkt h GLU 285 Cb 1.10 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 29.60 2jkt h GLU 285 CO 0.10 0.48 -0.46 1.15 -1.16 0.00 0.00 179.01 179.12 2jkt h THR 286 N 0.75 1.60 -0.87 1.13 2.02 -0.68 -2.52 112.91 114.33 2jkt h THR 286 Ca 0.52 -2.34 0.18 0.00 0.77 0.00 0.00 66.41 65.55 2jkt h THR 286 Cb 0.82 3.13 -0.11 0.00 -1.74 0.00 0.00 68.15 70.26 2jkt h THR 286 CO -0.30 0.64 0.42 0.40 0.37 0.00 0.00 175.52 177.06 2jkt h ILE 287 N -0.55 0.61 -0.14 3.11 2.04 -0.86 0.31 117.51 122.03 2jkt h ILE 287 Ca -0.08 -0.18 -0.11 0.00 1.00 0.00 0.00 64.86 65.49 2jkt h ILE 287 Cb 1.32 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2jkt h ILE 287 CO 0.09 0.10 -0.41 -0.07 0.00 0.00 0.00 178.15 177.85 2jkt h LEU 288 N 0.52 0.32 0.14 1.44 3.38 -1.49 -2.74 115.31 116.89 2jkt h LEU 288 Ca 0.51 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.35 2jkt h LEU 288 Cb 0.85 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2jkt h LEU 288 CO -0.44 0.70 -0.13 0.78 0.09 0.00 0.00 178.44 179.44 2jkt h ASN 289 N 0.26 -0.34 0.36 -0.43 2.35 0.01 -2.87 115.58 114.92 2jkt h ASN 289 Ca 0.02 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 2jkt h ASN 289 Cb 0.83 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 2jkt h ASN 289 CO 0.07 -0.20 -0.23 0.11 -1.65 0.00 0.00 177.43 175.53 2jkt h LYS 290 N -0.29 0.00 -0.31 0.81 1.79 -1.10 -2.75 116.57 114.72 2jkt h LYS 290 Ca 0.00 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 2jkt h LYS 290 Cb 0.27 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.89 2jkt h LYS 290 CO -0.03 0.23 0.09 0.00 -1.08 0.00 0.00 179.45 178.67 2jkt h ALA 291 N 1.77 0.35 0.00 3.86 0.00 -1.25 -2.75 119.26 121.24 2jkt h ALA 291 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2jkt h ALA 291 Cb 0.48 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2jkt h ALA 291 CO 0.03 -0.31 0.00 1.96 0.00 0.00 0.00 179.25 180.93 2jkt h GLN 292 N 0.22 0.00 -7.22 0.00 4.20 -1.49 -3.46 115.11 107.36 2jkt h GLN 292 Ca 0.14 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.34 2jkt h GLN 292 Cb 0.13 0.00 0.11 0.00 0.30 0.00 0.00 27.48 28.01 2jkt h GLN 292 CO -0.16 0.00 0.36 -1.21 -0.67 0.00 0.00 178.83 177.15 2jkt s GLU 293 N -3.37 2.69 -0.05 1.46 2.02 -1.04 -4.94 118.70 115.48 2jkt s GLU 293 Ca 0.05 1.35 -0.30 0.00 0.02 0.00 0.00 54.97 56.09 2jkt s GLU 293 Cb 0.09 -1.94 -0.07 0.00 0.10 0.00 0.00 34.13 32.31 2jkt s GLU 293 CO 0.55 -1.33 1.88 -1.25 0.02 0.00 0.00 175.26 175.13 2jkt s PRO 294 N -4.26 3.99 0.04 0.39 0.04 -1.26 -4.89 135.00 129.05 2jkt s PRO 294 Ca 0.66 2.33 -0.38 0.00 0.04 0.00 0.00 61.00 63.65 2jkt s PRO 294 Cb -0.20 -4.13 -0.18 0.00 0.04 0.00 0.00 34.50 30.03 2jkt s PRO 294 CO 0.44 -1.11 1.20 -2.30 0.04 0.00 0.00 177.00 175.28 2jkt n PRO 295 N 7.60 0.56 0.21 0.56 -0.02 -1.26 -4.89 135.00 137.77 2jkt n PRO 295 Ca 0.20 0.20 0.15 0.00 -2.02 0.00 0.00 63.50 62.04 2jkt n PRO 295 Cb 0.42 -1.77 0.68 0.00 -0.02 0.00 0.00 33.50 32.82 2jkt n PRO 295 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2jkt h LYS 296 N 3.74 0.00 0.00 -0.52 1.57 -1.96 -3.45 116.57 115.95 2jkt h LYS 296 Ca -0.49 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.25 2jkt h LYS 296 Cb 1.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.69 2jkt h LYS 296 CO 0.71 0.00 0.12 0.45 -0.57 0.00 0.00 179.45 180.17 2jkt n SER 297 N -2.64 -1.28 0.00 0.86 2.88 -1.26 -5.08 113.62 107.10 2jkt n SER 297 Ca 0.00 -1.97 0.00 0.00 -1.33 0.00 0.00 58.87 55.57 2jkt n SER 297 Cb 0.20 2.15 0.00 0.00 -0.75 0.00 0.00 64.21 65.81 2jkt n SER 297 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jkt n LYS 298 N -0.32 1.97 -1.71 -1.46 5.02 -1.26 -4.86 118.16 115.53 2jkt n LYS 298 Ca -0.04 -0.05 -0.43 0.00 -2.02 0.00 0.00 58.31 55.77 2jkt n LYS 298 Cb 0.35 -0.32 -0.01 0.00 -0.02 0.00 0.00 35.03 35.03 2jkt n LYS 298 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jkt n LYS 299 N -0.30 2.29 -0.02 1.97 5.02 -1.26 -4.82 118.16 121.05 2jkt n LYS 299 Ca 0.00 0.81 0.24 0.00 -2.02 0.00 0.00 58.31 57.34 2jkt n LYS 299 Cb 0.04 -2.46 0.70 0.00 -0.02 0.00 0.00 35.03 33.29 2jkt n LYS 299 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2jkt h VAL 300 N 2.84 0.34 0.40 -0.18 3.04 -1.99 -2.46 116.25 118.23 2jkt h VAL 300 Ca -0.47 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.20 2jkt h VAL 300 Cb 1.27 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 2jkt h VAL 300 CO 0.68 0.00 -0.19 1.56 -1.01 0.00 0.00 177.57 178.61 2jkt h GLN 301 N 0.00 -0.51 -0.09 4.17 7.50 -1.98 -0.67 115.11 123.53 2jkt h GLN 301 Ca 0.30 0.03 0.04 0.00 0.50 0.00 0.00 58.65 59.52 2jkt h GLN 301 Cb 1.53 0.12 -0.06 0.00 0.05 0.00 0.00 27.48 29.12 2jkt h GLN 301 CO -0.00 -0.21 -0.32 1.25 -1.50 0.00 0.00 178.83 178.05 2jkt h HIS 302 N -0.82 -0.87 -0.95 2.96 -0.00 -1.66 -0.44 115.15 113.37 2jkt h HIS 302 Ca -0.05 0.03 0.26 0.00 -0.00 0.00 0.00 60.37 60.61 2jkt h HIS 302 Cb 0.54 0.40 -0.14 0.00 -0.00 0.00 0.00 27.41 28.21 2jkt h HIS 302 CO 0.01 -0.40 0.47 1.03 -0.00 0.00 0.00 177.93 179.04 2jkt h SER 303 N -0.42 0.42 0.28 3.26 0.87 -1.53 -1.81 113.55 114.62 2jkt h SER 303 Ca 0.08 0.17 -0.25 0.00 -1.23 0.00 0.00 61.79 60.57 2jkt h SER 303 Cb 0.54 0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.65 2jkt h SER 303 CO -0.32 -0.05 -1.02 0.78 -0.53 0.00 0.00 176.83 175.70 2jkt h ASN 304 N 0.39 0.63 -0.15 6.23 2.35 0.10 -2.44 115.58 122.68 2jkt h ASN 304 Ca 0.64 -0.53 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 2jkt h ASN 304 Cb 1.31 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.48 2jkt h ASN 304 CO -0.56 1.33 -0.06 0.00 -1.65 0.00 0.00 177.43 176.49 2jkt h ALA 305 N 0.62 0.21 -0.31 -0.83 0.00 -0.71 -1.37 119.26 116.86 2jkt h ALA 305 Ca -0.10 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.58 2jkt h ALA 305 Cb 1.67 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 2jkt h ALA 305 CO 0.18 -0.00 0.13 -0.22 0.00 0.00 0.00 179.25 179.34 2jkt h LYS 306 N -0.01 0.27 0.00 0.00 3.64 -1.44 -2.49 116.57 116.54 2jkt h LYS 306 Ca 0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2jkt h LYS 306 Cb 0.51 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2jkt h LYS 306 CO 0.02 0.18 0.00 0.09 -2.27 0.00 0.00 179.45 177.47 2jkt n ASN 307 N -4.99 0.36 0.10 4.20 3.02 -0.92 -0.95 115.26 116.08 2jkt n ASN 307 Ca -0.00 0.57 -0.23 0.00 -0.03 0.00 0.00 54.58 54.89 2jkt n ASN 307 Cb 0.10 -0.65 -0.15 0.00 -0.61 0.00 0.00 39.78 38.47 2jkt n ASN 307 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jkt h ALA 308 N 2.52 -0.11 -0.32 5.41 0.00 -0.81 -2.55 119.26 123.41 2jkt h ALA 308 Ca 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 54.91 54.04 2jkt h ALA 308 Cb 0.42 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2jkt h ALA 308 CO 0.00 0.58 -0.16 0.28 0.00 0.00 0.00 179.25 179.96 2jkt h VAL 309 N 0.01 1.25 -0.21 0.00 2.07 -1.21 -2.95 116.25 115.20 2jkt h VAL 309 Ca -0.21 -1.13 -0.09 0.00 0.82 0.00 0.00 66.70 66.10 2jkt h VAL 309 Cb 1.94 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 32.88 2jkt h VAL 309 CO 0.23 0.37 -0.23 0.25 0.02 0.00 0.00 177.57 178.21 2jkt h LEU 310 N 0.52 0.56 -1.11 2.57 5.85 -1.11 -2.61 115.31 119.97 2jkt h LEU 310 Ca 0.09 -0.49 -0.04 0.00 0.84 0.00 0.00 57.88 58.28 2jkt h LEU 310 Cb 0.57 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2jkt h LEU 310 CO 0.04 0.93 0.16 -0.26 -0.34 0.00 0.00 178.44 178.97 2jkt h PHE 311 N 0.20 0.80 -0.03 1.25 -1.00 -1.45 -1.87 116.94 114.84 2jkt h PHE 311 Ca 0.03 -0.06 -0.24 0.00 2.81 0.00 0.00 57.97 60.51 2jkt h PHE 311 Cb 0.78 -0.24 0.01 0.00 3.61 0.00 0.00 35.95 40.11 2jkt h PHE 311 CO 0.08 0.66 -0.95 1.49 -1.61 0.00 0.00 178.31 177.98 2jkt h GLU 312 N 0.77 0.60 0.00 1.51 4.57 -1.52 -0.13 114.58 120.37 2jkt h GLU 312 Ca 0.18 -0.61 -0.06 0.00 -1.18 0.00 0.00 59.36 57.69 2jkt h GLU 312 Cb 0.24 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2jkt h GLU 312 CO -0.01 1.22 -0.27 0.00 -1.18 0.00 0.00 179.01 178.77 2jkt h ALA 313 N 0.58 1.28 -0.06 2.92 0.00 -1.35 -0.58 119.26 122.04 2jkt h ALA 313 Ca -0.10 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 2jkt h ALA 313 Cb 1.59 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 2jkt h ALA 313 CO 0.18 0.34 -0.64 0.82 0.00 0.00 0.00 179.25 179.95 2jkt h ILE 314 N 0.00 1.40 -0.13 0.00 2.04 -1.01 -2.28 117.51 117.53 2jkt h ILE 314 Ca -0.00 -2.07 -0.13 0.00 1.00 0.00 0.00 64.86 63.66 2jkt h ILE 314 Cb 0.59 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 2jkt h ILE 314 CO 0.04 0.61 -0.51 -1.28 0.00 0.00 0.00 178.15 177.01 2jkt h SER 315 N 0.18 0.38 0.50 1.72 0.87 -0.15 -1.59 113.55 115.46 2jkt h SER 315 Ca -0.01 -0.19 -0.11 0.00 -1.23 0.00 0.00 61.79 60.25 2jkt h SER 315 Cb 1.17 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 2jkt h SER 315 CO 0.10 0.82 -0.51 0.25 -0.53 0.00 0.00 176.83 176.96 2jkt h LEU 316 N 0.27 0.01 -0.12 2.23 5.85 -1.10 -0.74 115.31 121.71 2jkt h LEU 316 Ca 0.01 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.60 2jkt h LEU 316 Cb 0.99 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2jkt h LEU 316 CO 0.08 0.52 -0.44 0.40 -0.34 0.00 0.00 178.44 178.66 2jkt h ILE 317 N 0.00 1.36 -0.24 4.05 2.04 -1.10 -1.75 117.51 121.88 2jkt h ILE 317 Ca -0.00 -1.74 -0.08 0.00 1.00 0.00 0.00 64.86 64.03 2jkt h ILE 317 Cb 0.90 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 2jkt h ILE 317 CO 0.07 0.52 -0.21 0.40 0.00 0.00 0.00 178.15 178.93 2jkt h ILE 318 N 0.12 1.25 -0.29 -0.67 2.04 -1.27 -0.73 117.51 117.96 2jkt h ILE 318 Ca -0.02 -1.15 -0.15 0.00 1.00 0.00 0.00 64.86 64.54 2jkt h ILE 318 Cb 1.07 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2jkt h ILE 318 CO 0.09 0.37 -0.40 -0.74 0.00 0.00 0.00 178.15 177.47 2jkt h HIS 319 N 0.39 0.96 -0.08 1.37 2.76 -1.10 -3.24 115.15 116.22 2jkt h HIS 319 Ca 0.06 -0.31 -0.04 0.00 -2.20 0.00 0.00 60.37 57.88 2jkt h HIS 319 Cb 0.59 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.36 2jkt h HIS 319 CO 0.02 1.10 -0.10 0.45 -1.30 0.00 0.00 177.93 178.10 2jkt h HIS 320 N 0.54 0.26 -5.33 5.26 3.86 -1.24 -3.49 115.15 115.01 2jkt h HIS 320 Ca 0.03 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2jkt h HIS 320 Cb 0.99 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.41 2jkt h HIS 320 CO 0.07 0.66 -0.18 -3.47 0.86 0.00 0.00 177.93 175.88 2jkt n ASP 321 N -4.66 -7.84 -3.82 2.45 2.03 -0.29 -4.96 116.55 99.46 2jkt n ASP 321 Ca -0.07 0.15 -0.08 0.00 0.52 0.00 0.00 54.79 55.30 2jkt n ASP 321 Cb 0.33 -5.33 -0.03 0.00 -0.72 0.00 0.00 41.12 35.37 2jkt n ASP 321 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2jkt s SER 322 N -2.85 -0.26 0.00 1.67 0.01 -1.26 -4.96 113.70 106.04 2jkt s SER 322 Ca 0.09 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.77 2jkt s SER 322 Cb -0.02 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.87 2jkt s SER 322 CO 0.75 -1.22 0.00 -0.62 0.41 0.00 0.00 173.24 172.57 2jkt n GLU 323 N -0.41 -0.86 -0.25 12.44 4.71 -1.26 -4.57 120.64 130.43 2jkt n GLU 323 Ca -0.06 0.82 0.04 0.00 -0.01 0.00 0.00 57.16 57.95 2jkt n GLU 323 Cb 0.61 -0.70 0.17 0.00 -1.01 0.00 0.00 31.44 30.51 2jkt n GLU 323 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 2jkt h PRO 324 N 4.68 0.49 -0.78 3.49 0.11 -1.97 -2.97 132.00 135.05 2jkt h PRO 324 Ca 0.00 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 66.22 2jkt h PRO 324 Cb 0.00 -0.11 -0.14 0.00 0.11 0.00 0.00 31.00 30.86 2jkt h PRO 324 CO 0.00 0.33 -0.32 -0.97 -0.21 0.00 0.00 178.00 176.83 2jkt h ASN 325 N 0.51 -1.14 0.33 -2.05 -1.24 -1.86 0.32 115.58 110.45 2jkt h ASN 325 Ca 0.39 0.26 -0.05 0.00 0.71 0.00 0.00 56.30 57.61 2jkt h ASN 325 Cb 0.53 0.61 -0.01 0.00 0.73 0.00 0.00 38.32 40.19 2jkt h ASN 325 CO -0.35 -0.29 -0.26 -0.07 -1.29 0.00 0.00 177.43 175.17 2jkt h LEU 326 N -0.07 0.00 -0.68 0.34 3.38 -1.80 -2.06 115.31 114.41 2jkt h LEU 326 Ca 0.31 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.14 2jkt h LEU 326 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2jkt h LEU 326 CO -0.82 0.26 -0.61 -0.07 0.09 0.00 0.00 178.44 177.28 2jkt h LEU 327 N 0.00 0.19 0.03 1.67 3.38 -0.46 -2.81 115.31 117.31 2jkt h LEU 327 Ca -0.00 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 2jkt h LEU 327 Cb 0.49 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.20 2jkt h LEU 327 CO 0.03 0.76 -0.74 0.58 0.09 0.00 0.00 178.44 179.16 2jkt h VAL 328 N 0.12 1.41 -0.16 1.22 2.07 -0.70 -2.96 116.25 117.25 2jkt h VAL 328 Ca -0.01 -2.21 0.05 0.00 0.82 0.00 0.00 66.70 65.35 2jkt h VAL 328 Cb 1.11 2.69 -0.05 0.00 -1.52 0.00 0.00 31.29 33.52 2jkt h VAL 328 CO 0.09 0.65 -0.14 0.03 0.02 0.00 0.00 177.57 178.22 2jkt h ARG 329 N -0.06 -0.15 -0.40 1.57 2.47 -1.44 -1.53 114.38 114.84 2jkt h ARG 329 Ca -0.10 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.64 2jkt h ARG 329 Cb 1.47 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.80 2jkt h ARG 329 CO 0.14 -0.10 0.26 0.00 0.56 0.00 0.00 179.97 180.84 2jkt h ALA 330 N 0.95 1.74 -0.00 0.04 0.00 -1.59 -0.24 119.26 120.16 2jkt h ALA 330 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2jkt h ALA 330 Cb 0.31 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2jkt h ALA 330 CO -0.26 0.23 -0.09 0.00 0.00 0.00 0.00 179.25 179.13 2jkt n ASN 332 N -1.31 0.58 -0.02 0.00 3.02 -0.22 -2.91 115.26 114.41 2jkt n ASN 332 Ca 0.11 0.28 -0.16 0.00 -0.03 0.00 0.00 54.58 54.78 2jkt n ASN 332 Cb 0.30 0.32 -0.11 0.00 -0.61 0.00 0.00 39.78 39.68 2jkt n ASN 332 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2jkt h GLN 333 N 0.00 0.26 -0.27 3.52 5.75 -1.19 -2.05 115.11 121.13 2jkt h GLN 333 Ca -0.36 -0.25 0.08 0.00 -0.15 0.00 0.00 58.65 57.97 2jkt h GLN 333 Cb 2.04 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 30.65 2jkt h GLN 333 CO 0.06 0.95 0.20 -0.07 -2.65 0.00 0.00 178.83 177.32 2jkt h LEU 334 N -0.34 0.00 -0.33 -2.39 3.38 -1.41 0.62 115.31 114.85 2jkt h LEU 334 Ca -0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2jkt h LEU 334 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2jkt h LEU 334 CO 0.07 0.00 -0.17 1.23 0.09 0.00 0.00 178.44 179.66 2jkt h GLY 335 N 0.00 0.76 1.88 0.83 0.00 -1.38 -3.13 103.07 102.04 2jkt h GLY 335 Ca 0.13 -0.69 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 2jkt h GLY 335 CO -0.00 0.63 -0.26 1.46 0.00 0.00 0.00 176.54 178.37 2jkt h GLN 336 N 0.48 0.14 -0.61 4.80 4.20 -0.17 -2.68 115.11 121.26 2jkt h GLN 336 Ca 0.07 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 2jkt h GLN 336 Cb 0.71 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 2jkt h GLN 336 CO 0.05 0.39 0.06 0.74 -0.67 0.00 0.00 178.83 179.40 2jkt h PHE 337 N 0.13 1.11 -0.33 2.96 0.05 -1.29 -1.25 116.94 118.32 2jkt h PHE 337 Ca 0.02 -0.17 -0.06 0.00 3.82 0.00 0.00 57.97 61.58 2jkt h PHE 337 Cb 0.53 -0.30 -0.02 0.00 2.00 0.00 0.00 35.95 38.16 2jkt h PHE 337 CO 0.00 0.97 -0.07 -0.07 -0.18 0.00 0.00 178.31 178.96 2jkt h LEU 338 N 0.94 0.51 -0.19 1.54 3.38 -1.43 -2.72 115.31 117.35 2jkt h LEU 338 Ca 0.18 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2jkt h LEU 338 Cb 0.48 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2jkt h LEU 338 CO 0.02 0.63 -0.06 1.56 0.09 0.00 0.00 178.44 180.68 2jkt h GLN 339 N 0.51 0.37 -6.33 1.13 4.20 -1.28 -3.43 115.11 110.28 2jkt h GLN 339 Ca 0.10 -0.15 -0.54 0.00 0.06 0.00 0.00 58.65 58.13 2jkt h GLN 339 Cb 0.43 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.21 2jkt h GLN 339 CO 0.02 0.64 1.23 -1.01 -0.67 0.00 0.00 178.83 179.04 2jkt s HIS 340 N -4.69 1.36 -0.24 2.96 3.76 -0.50 -4.90 115.29 113.04 2jkt s HIS 340 Ca -0.14 -0.33 -0.40 0.00 -0.15 0.00 0.00 55.06 54.04 2jkt s HIS 340 Cb 0.06 -4.19 -0.16 0.00 1.11 0.00 0.00 32.58 29.40 2jkt s HIS 340 CO 0.74 -5.29 1.68 2.89 -0.85 0.00 0.00 174.74 173.92 2jkt n ARG 341 N 7.56 1.08 -3.29 1.40 -4.01 -1.26 -4.76 116.66 113.36 2jkt n ARG 341 Ca 0.20 0.39 0.00 0.00 -1.04 0.00 0.00 57.85 57.40 2jkt n ARG 341 Cb 0.41 -2.06 0.00 0.00 -3.04 0.00 0.00 32.46 27.78 2jkt n ARG 341 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 2jkt n GLU 342 N 4.92 -1.11 0.00 2.89 0.00 -1.26 -5.04 120.64 121.04 2jkt n GLU 342 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.42 2jkt n GLU 342 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.56 2jkt n GLU 342 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2jkt n THR 343 N 2.64 0.00 -0.01 6.31 -1.04 -1.26 -4.64 114.28 116.28 2jkt n THR 343 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 2jkt n THR 343 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 2jkt n THR 343 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2jkt h ASN 344 N 0.00 0.37 -0.05 8.00 2.35 -1.99 -2.44 115.58 121.82 2jkt h ASN 344 Ca 0.00 -0.77 -0.01 0.00 -0.55 0.00 0.00 56.30 54.97 2jkt h ASN 344 Cb 0.00 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 2jkt h ASN 344 CO 0.00 1.09 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.79 2jkt h LEU 345 N -0.31 0.11 -0.87 1.61 3.38 -1.92 -0.93 115.31 116.38 2jkt h LEU 345 Ca -0.05 -0.39 0.21 0.00 0.09 0.00 0.00 57.88 57.74 2jkt h LEU 345 Cb 1.16 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.76 2jkt h LEU 345 CO 0.08 0.47 0.35 0.03 0.09 0.00 0.00 178.44 179.46 2jkt h ARG 346 N -0.25 0.36 0.30 1.13 3.08 -1.77 0.35 114.38 117.58 2jkt h ARG 346 Ca 0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2jkt h ARG 346 Cb 0.42 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2jkt h ARG 346 CO 0.01 0.24 -0.14 -0.92 -1.07 0.00 0.00 179.97 178.08 2jkt h TYR 347 N 0.37 -0.38 -0.72 3.04 3.20 -1.19 -2.87 116.97 118.43 2jkt h TYR 347 Ca 0.54 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.38 2jkt h TYR 347 Cb 1.01 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.37 2jkt h TYR 347 CO -0.16 -0.05 0.36 -0.07 -1.64 0.00 0.00 178.16 176.59 2jkt h LEU 348 N -0.72 0.92 -0.48 2.82 4.07 -0.29 -2.40 115.31 119.23 2jkt h LEU 348 Ca -0.04 -0.09 -0.05 0.00 0.08 0.00 0.00 57.88 57.78 2jkt h LEU 348 Cb 0.49 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 2jkt h LEU 348 CO 0.07 0.76 0.12 0.00 -1.08 0.00 0.00 178.44 178.31 2jkt h ALA 349 N 1.38 0.64 0.00 1.53 0.00 -0.42 -0.94 119.26 121.45 2jkt h ALA 349 Ca 0.25 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2jkt h ALA 349 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2jkt h ALA 349 CO -0.04 0.33 -0.17 -0.07 0.00 0.00 0.00 179.25 179.30 2jkt h LEU 350 N 0.66 0.00 0.00 0.00 3.38 -1.26 0.73 115.31 118.81 2jkt h LEU 350 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2jkt h LEU 350 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2jkt h LEU 350 CO 0.00 0.17 -0.00 -0.08 0.09 0.00 0.00 178.44 178.62 2jkt h GLU 351 N 0.00 -0.00 -0.46 1.13 4.81 -0.91 -2.91 114.58 116.24 2jkt h GLU 351 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2jkt h GLU 351 Cb 0.47 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 2jkt h GLU 351 CO 0.02 0.74 -0.13 1.03 -0.73 0.00 0.00 179.01 179.94 2jkt h SER 352 N -0.75 0.84 -0.39 1.04 0.87 -0.90 -2.76 113.55 111.49 2jkt h SER 352 Ca -0.00 -0.26 -0.10 0.00 -1.23 0.00 0.00 61.79 60.19 2jkt h SER 352 Cb 0.74 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 2jkt h SER 352 CO 0.00 0.97 -0.16 -0.03 -0.53 0.00 0.00 176.83 177.08 2jkt h MET 353 N 0.75 0.80 0.00 2.24 1.85 -0.97 -0.96 114.93 118.65 2jkt h MET 353 Ca 0.12 -0.34 -0.00 0.00 -0.61 0.00 0.00 59.70 58.87 2jkt h MET 353 Cb 0.63 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.63 2jkt h MET 353 CO 0.04 0.96 -0.01 0.00 -0.40 0.00 0.00 176.91 177.51 2jkt h THR 355 N 0.00 0.90 0.00 0.00 2.02 -1.14 -3.28 112.91 111.40 2jkt h THR 355 Ca -0.00 -2.63 -0.01 0.00 0.77 0.00 0.00 66.41 64.54 2jkt h THR 355 Cb 0.04 2.58 -0.00 0.00 -1.74 0.00 0.00 68.15 69.03 2jkt h THR 355 CO 0.00 0.75 -0.07 0.25 0.37 0.00 0.00 175.52 176.82 2jkt h LEU 356 N 0.05 0.00 -2.08 2.58 6.46 0.18 -2.98 115.31 119.52 2jkt h LEU 356 Ca -0.31 0.00 0.09 0.00 -0.12 0.00 0.00 57.88 57.54 2jkt h LEU 356 Cb 2.02 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.94 2jkt h LEU 356 CO 0.11 0.07 0.33 0.00 -0.62 0.00 0.00 178.44 178.34 2jkt h ALA 357 N 1.93 2.01 -0.75 1.25 0.00 -1.34 -1.89 119.26 120.47 2jkt h ALA 357 Ca -0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2jkt h ALA 357 Cb 0.46 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.15 2jkt h ALA 357 CO 0.01 -0.50 0.26 -1.13 0.00 0.00 0.00 179.25 177.90 2jkt n SER 358 N -3.81 4.98 -4.86 0.00 3.41 -1.12 -4.92 113.62 107.30 2jkt n SER 358 Ca 0.05 -3.21 -0.36 0.00 -0.26 0.00 0.00 58.87 55.09 2jkt n SER 358 Cb 0.49 -0.75 -0.06 0.00 -0.26 0.00 0.00 64.21 63.63 2jkt n SER 358 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2jkt s SER 359 N -0.99 6.66 -0.27 4.04 0.15 -0.71 -5.02 113.70 117.56 2jkt s SER 359 Ca 0.56 0.80 0.10 0.00 0.70 0.00 0.00 55.95 58.11 2jkt s SER 359 Cb 0.44 -2.18 0.52 0.00 -1.71 0.00 0.00 66.02 63.09 2jkt s SER 359 CO 0.14 0.26 1.48 -0.62 1.20 0.00 0.00 173.24 175.70 2jkt n GLU 360 N 1.35 2.12 -0.37 5.44 1.02 -1.26 -4.31 120.64 124.64 2jkt n GLU 360 Ca -0.12 -3.09 0.00 0.00 -0.02 0.00 0.00 57.16 53.94 2jkt n GLU 360 Cb 0.53 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 2jkt n GLU 360 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2jkt n PHE 361 N -0.98 0.00 0.27 -0.32 3.01 -1.26 -4.81 117.46 113.37 2jkt n PHE 361 Ca 0.32 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.93 2jkt n PHE 361 Cb 1.04 0.04 0.45 0.00 -0.01 0.00 0.00 39.48 41.00 2jkt n PHE 361 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2jkt h SER 362 N 0.00 0.00 -0.09 4.37 4.64 -1.89 -3.37 113.55 117.21 2jkt h SER 362 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2jkt h SER 362 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 2jkt h SER 362 CO 0.00 0.00 -0.04 1.41 -0.87 0.00 0.00 176.83 177.33 2jkt n HIS 363 N -3.04 0.00 -2.72 4.77 8.25 -1.26 -2.82 115.22 118.41 2jkt n HIS 363 Ca 0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.35 2jkt n HIS 363 Cb 0.40 -0.86 0.02 0.00 1.12 0.00 0.00 29.99 30.67 2jkt n HIS 363 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2jkt n GLU 364 N -2.04 -3.00 0.05 -0.41 1.02 -1.26 -4.86 120.64 110.14 2jkt n GLU 364 Ca -0.02 0.55 0.02 0.00 -0.02 0.00 0.00 57.16 57.70 2jkt n GLU 364 Cb 0.18 -4.67 0.13 0.00 -0.02 0.00 0.00 31.44 27.05 2jkt n GLU 364 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jkt n ALA 365 N -2.87 0.72 -0.27 0.62 0.00 -1.13 -0.57 120.51 117.02 2jkt n ALA 365 Ca -0.07 0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.35 2jkt n ALA 365 Cb 0.57 -0.78 0.05 0.00 0.00 0.00 0.00 19.45 19.30 2jkt n ALA 365 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jkt h VAL 366 N 0.00 1.24 0.00 0.00 2.07 -1.89 -2.91 116.25 114.77 2jkt h VAL 366 Ca 0.00 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2jkt h VAL 366 Cb 0.33 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2jkt h VAL 366 CO 0.00 0.29 0.00 0.29 0.02 0.00 0.00 177.57 178.17 2jkt n LYS 367 N -4.39 0.11 0.16 1.57 5.02 0.26 -1.83 118.16 119.07 2jkt n LYS 367 Ca 0.06 0.19 0.12 0.00 -2.02 0.00 0.00 58.31 56.66 2jkt n LYS 367 Cb 0.15 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 33.93 2jkt n LYS 367 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2jkt h THR 368 N 0.00 0.00 -0.35 -0.18 2.02 -1.70 -3.30 112.91 109.40 2jkt h THR 368 Ca 0.00 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.43 2jkt h THR 368 Cb 0.05 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2jkt h THR 368 CO 0.00 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.30 2jkt n HIS 369 N -2.69 0.99 -0.35 3.16 8.25 -0.76 -4.63 115.22 119.19 2jkt n HIS 369 Ca 0.05 -0.74 0.26 0.00 -0.26 0.00 0.00 57.72 57.02 2jkt n HIS 369 Cb 0.48 -0.26 0.54 0.00 1.12 0.00 0.00 29.99 31.87 2jkt n HIS 369 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2jkt h ILE 370 N 2.30 0.42 0.57 1.59 2.04 -1.74 -0.11 117.51 122.58 2jkt h ILE 370 Ca 0.00 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 2jkt h ILE 370 Cb 1.32 0.07 0.01 0.00 -0.74 0.00 0.00 36.82 37.48 2jkt h ILE 370 CO 0.19 0.06 -0.27 -0.33 0.00 0.00 0.00 178.15 177.80 2jkt h GLU 371 N 0.32 -0.74 -0.98 2.37 4.39 -1.90 -1.03 114.58 117.01 2jkt h GLU 371 Ca 0.65 0.05 0.15 0.00 0.34 0.00 0.00 59.36 60.55 2jkt h GLU 371 Cb 1.75 0.17 -0.09 0.00 -0.10 0.00 0.00 28.75 30.48 2jkt h GLU 371 CO -0.35 -0.43 0.62 1.15 -1.16 0.00 0.00 179.01 178.84 2jkt h THR 372 N -1.07 0.83 0.00 1.13 2.02 -1.39 -1.64 112.91 112.79 2jkt h THR 372 Ca -0.08 -0.29 -0.16 0.00 0.77 0.00 0.00 66.41 66.65 2jkt h THR 372 Cb 0.65 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 2jkt h THR 372 CO 0.13 0.15 -1.24 -0.37 0.37 0.00 0.00 175.52 174.56 2jkt h VAL 373 N 0.85 0.59 -0.13 3.16 -1.51 -1.38 -2.48 116.25 115.35 2jkt h VAL 373 Ca 0.51 -2.07 -0.07 0.00 -1.23 0.00 0.00 66.70 63.84 2jkt h VAL 373 Cb 0.69 2.12 -0.01 0.00 -2.13 0.00 0.00 31.29 31.96 2jkt h VAL 373 CO -0.29 0.34 -0.23 0.40 -1.23 0.00 0.00 177.57 176.56 2jkt h ILE 374 N 0.00 1.22 0.53 7.19 2.04 -0.65 -2.53 117.51 125.32 2jkt h ILE 374 Ca -0.13 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 64.67 2jkt h ILE 374 Cb 1.56 1.39 0.01 0.00 -0.74 0.00 0.00 36.82 39.03 2jkt h ILE 374 CO 0.05 0.31 -0.26 -1.13 0.00 0.00 0.00 178.15 177.13 2jkt h ASN 375 N 0.20 -0.61 -0.94 1.72 -0.73 -1.31 -2.76 115.58 111.16 2jkt h ASN 375 Ca 0.03 -0.06 0.18 0.00 1.87 0.00 0.00 56.30 58.33 2jkt h ASN 375 Cb 0.52 0.16 -0.17 0.00 0.27 0.00 0.00 38.32 39.10 2jkt h ASN 375 CO 0.04 -0.25 -0.27 0.00 -0.37 0.00 0.00 177.43 176.58 2jkt n ALA 376 N -2.58 0.15 -0.14 1.57 0.00 -0.94 0.13 120.51 118.71 2jkt n ALA 376 Ca -0.11 1.01 0.02 0.00 0.00 0.00 0.00 53.44 54.36 2jkt n ALA 376 Cb 0.32 -0.58 0.30 0.00 0.00 0.00 0.00 19.45 19.50 2jkt n ALA 376 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jkt h LEU 377 N 0.00 0.72 -0.01 0.00 5.85 -1.48 -1.98 115.31 118.41 2jkt h LEU 377 Ca 0.42 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.10 2jkt h LEU 377 Cb 0.66 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2jkt h LEU 377 CO -0.96 0.53 -0.09 0.50 -0.34 0.00 0.00 178.44 178.09 2jkt h LYS 378 N 0.85 0.08 0.00 1.25 3.64 0.14 -3.39 116.57 119.15 2jkt h LYS 378 Ca 0.23 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2jkt h LYS 378 Cb -0.08 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2jkt h LYS 378 CO -0.05 0.75 -0.01 1.79 -2.27 0.00 0.00 179.45 179.66 2jkt h THR 379 N -0.56 0.00 -0.73 1.00 1.35 -1.17 -3.47 112.91 109.33 2jkt h THR 379 Ca -0.01 -0.47 -0.77 0.00 -0.55 0.00 0.00 66.41 64.61 2jkt h THR 379 Cb 0.77 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.19 2jkt h THR 379 CO 0.02 0.00 0.72 -0.62 -0.25 0.00 0.00 175.52 175.38 2jkt n GLU 380 N -3.32 0.00 -2.18 4.72 -0.58 -0.75 -4.97 120.64 113.57 2jkt n GLU 380 Ca -0.00 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.47 2jkt n GLU 380 Cb 0.01 -1.34 0.10 0.00 -0.57 0.00 0.00 31.44 29.64 2jkt n GLU 380 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2jkt s ARG 381 N 3.16 1.81 0.00 3.49 0.52 -1.26 -4.71 118.95 121.95 2jkt s ARG 381 Ca 0.96 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 55.80 2jkt s ARG 381 Cb -1.34 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 32.02 2jkt s ARG 381 CO 0.70 -1.52 0.00 -3.47 0.02 0.00 0.00 175.30 171.03 2jkt n ASP 382 N -3.10 -0.11 0.20 0.23 2.03 -1.26 -4.82 116.55 109.72 2jkt n ASP 382 Ca 0.10 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.57 2jkt n ASP 382 Cb 0.60 -0.06 0.63 0.00 -0.72 0.00 0.00 41.12 41.58 2jkt n ASP 382 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2jkt h VAL 383 N 0.00 0.11 0.46 5.18 2.07 -1.99 0.91 116.25 122.98 2jkt h VAL 383 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2jkt h VAL 383 Cb 0.00 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2jkt h VAL 383 CO 0.00 0.00 -0.22 0.77 0.02 0.00 0.00 177.57 178.14 2jkt h SER 384 N 0.00 -0.52 -0.95 0.57 4.64 -1.99 -2.35 113.55 112.95 2jkt h SER 384 Ca 0.11 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2jkt h SER 384 Cb 1.24 0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 63.41 2jkt h SER 384 CO -0.00 -0.21 0.61 0.58 -0.87 0.00 0.00 176.83 176.94 2jkt h VAL 385 N -0.84 1.25 -0.86 0.95 2.07 -1.14 -2.69 116.25 114.98 2jkt h VAL 385 Ca -0.06 -0.49 0.10 0.00 0.82 0.00 0.00 66.70 67.07 2jkt h VAL 385 Cb 0.57 -0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 2jkt h VAL 385 CO 0.10 0.25 0.55 0.03 0.02 0.00 0.00 177.57 178.53 2jkt h ARG 386 N 1.30 0.78 0.01 1.57 3.08 -1.38 -2.54 114.38 117.20 2jkt h ARG 386 Ca 0.35 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 2jkt h ARG 386 Cb -0.12 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.75 2jkt h ARG 386 CO -0.07 0.52 -0.01 1.96 -1.07 0.00 0.00 179.97 181.30 2jkt h GLN 387 N 0.80 -0.01 -0.13 0.04 4.20 -1.14 -2.93 115.11 115.94 2jkt h GLN 387 Ca 0.40 0.00 0.04 0.00 0.06 0.00 0.00 58.65 59.15 2jkt h GLN 387 Cb 0.46 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 2jkt h GLN 387 CO -0.17 0.69 0.41 0.00 -0.67 0.00 0.00 178.83 179.09 2jkt h ARG 388 N -0.74 0.00 0.03 1.46 2.47 -1.17 0.18 114.38 116.61 2jkt h ARG 388 Ca -0.00 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.60 2jkt h ARG 388 Cb 0.71 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.02 2jkt h ARG 388 CO 0.00 0.00 -0.62 0.00 0.56 0.00 0.00 179.97 179.91 2jkt h ALA 389 N 1.30 0.08 -0.91 0.04 0.00 -1.49 -3.18 119.26 115.10 2jkt h ALA 389 Ca 0.06 -0.79 0.03 0.00 0.00 0.00 0.00 54.91 54.21 2jkt h ALA 389 Cb 0.88 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 2jkt h ALA 389 CO -0.00 0.34 0.60 0.28 0.00 0.00 0.00 179.25 180.47 2jkt h VAL 390 N -0.83 1.16 -0.82 0.00 2.07 -0.57 -1.96 116.25 115.30 2jkt h VAL 390 Ca -0.15 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 2jkt h VAL 390 Cb 1.26 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 2jkt h VAL 390 CO -0.03 0.21 0.34 0.44 0.02 0.00 0.00 177.57 178.55 2jkt h ASP 391 N 1.14 1.11 -0.49 0.57 3.32 -0.98 -2.22 116.42 118.87 2jkt h ASP 391 Ca 0.36 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 2jkt h ASP 391 Cb 0.01 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 2jkt h ASP 391 CO -0.11 0.97 0.14 0.25 -1.72 0.00 0.00 179.24 178.77 2jkt h LEU 392 N 1.18 0.78 -0.77 1.55 5.85 -1.37 -2.31 115.31 120.22 2jkt h LEU 392 Ca 0.27 -0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.73 2jkt h LEU 392 Cb 0.20 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2jkt h LEU 392 CO -0.03 0.76 -0.42 -0.07 -0.34 0.00 0.00 178.44 178.35 2jkt h LEU 393 N 0.81 0.45 -0.75 2.25 3.38 -1.00 -2.64 115.31 117.80 2jkt h LEU 393 Ca 0.18 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2jkt h LEU 393 Cb 0.29 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2jkt h LEU 393 CO -0.00 0.82 -0.07 0.22 0.09 0.00 0.00 178.44 179.50 2jkt h TYR 394 N 0.35 0.96 -0.33 1.13 3.20 -1.22 -2.54 116.97 118.51 2jkt h TYR 394 Ca 0.03 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.73 2jkt h TYR 394 Cb 0.88 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.90 2jkt h TYR 394 CO 0.03 0.91 0.00 0.00 -1.64 0.00 0.00 178.16 177.45 2jkt n ALA 395 N -2.49 2.74 -2.11 1.82 0.00 -0.89 -3.41 120.51 116.18 2jkt n ALA 395 Ca 0.02 -0.76 0.01 0.00 0.00 0.00 0.00 53.44 52.70 2jkt n ALA 395 Cb 0.36 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.80 2jkt n ALA 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jkt n MET 396 N 0.47 0.00 -2.46 0.00 0.00 -1.01 -4.95 117.12 109.17 2jkt n MET 396 Ca 0.13 -1.13 -0.41 0.00 0.00 0.00 0.00 57.70 56.29 2jkt n MET 396 Cb 0.47 -0.32 -0.04 0.00 0.00 0.00 0.00 33.22 33.34 2jkt n MET 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jkt n ASP 398 N 2.64 0.50 0.28 0.00 5.68 -1.26 -5.02 116.55 119.37 2jkt n ASP 398 Ca 0.04 -2.53 0.19 0.00 -0.50 0.00 0.00 54.79 51.99 2jkt n ASP 398 Cb 0.46 0.90 0.96 0.00 -1.14 0.00 0.00 41.12 42.29 2jkt n ASP 398 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2jkt h ARG 399 N 0.00 0.00 0.09 0.11 3.08 -1.95 -2.87 114.38 112.84 2jkt h ARG 399 Ca -0.20 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.57 2jkt h ARG 399 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 2jkt h ARG 399 CO 0.31 0.00 -1.49 0.77 -1.07 0.00 0.00 179.97 178.49 2jkt h SER 400 N 0.00 0.30 -0.10 7.04 0.02 -1.95 -3.35 113.55 115.50 2jkt h SER 400 Ca 0.00 -0.80 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 2jkt h SER 400 Cb 0.11 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2jkt h SER 400 CO 0.00 1.64 0.00 -0.46 -1.14 0.00 0.00 176.83 176.87 2jkt n ASN 401 N -3.95 2.92 -0.02 3.07 2.04 -1.25 -4.60 115.26 113.48 2jkt n ASN 401 Ca -0.28 -1.94 -0.09 0.00 -0.44 0.00 0.00 54.58 51.83 2jkt n ASN 401 Cb 0.88 -0.05 -0.03 0.00 -2.53 0.00 0.00 39.78 38.05 2jkt n ASN 401 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2jkt h ALA 402 N 4.62 -0.17 -0.84 -2.53 0.00 -1.64 0.30 119.26 119.01 2jkt h ALA 402 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2jkt h ALA 402 Cb 0.94 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 2jkt h ALA 402 CO 0.00 -0.68 0.53 1.96 0.00 0.00 0.00 179.25 181.06 2jkt h GLN 403 N -0.27 0.97 -0.07 0.00 4.20 -1.82 -0.16 115.11 117.97 2jkt h GLN 403 Ca 0.11 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.80 2jkt h GLN 403 Cb 0.45 -0.22 -0.06 0.00 0.30 0.00 0.00 27.48 27.95 2jkt h GLN 403 CO -0.33 0.64 -0.43 1.96 -0.67 0.00 0.00 178.83 180.00 2jkt h GLN 404 N 1.00 -0.52 -0.00 1.46 1.08 -1.18 -2.79 115.11 114.15 2jkt h GLN 404 Ca 0.35 0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.58 2jkt h GLN 404 Cb 0.09 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2jkt h GLN 404 CO -0.14 -0.35 -0.00 0.82 -0.95 0.00 0.00 178.83 178.20 2jkt h ILE 405 N -0.54 1.36 -0.96 2.54 2.04 -0.21 -3.12 117.51 118.61 2jkt h ILE 405 Ca 0.06 -1.05 0.26 0.00 1.00 0.00 0.00 64.86 65.12 2jkt h ILE 405 Cb 0.65 2.06 -0.05 0.00 -0.74 0.00 0.00 36.82 38.74 2jkt h ILE 405 CO -0.36 0.27 0.67 0.58 0.00 0.00 0.00 178.15 179.31 2jkt h VAL 406 N -0.44 0.56 0.69 1.67 2.07 -1.04 0.16 116.25 119.91 2jkt h VAL 406 Ca 0.00 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2jkt h VAL 406 Cb 0.45 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2jkt h VAL 406 CO 0.00 0.03 -0.33 0.00 0.02 0.00 0.00 177.57 177.29 2jkt h ALA 407 N 1.56 -1.03 -0.96 1.67 0.00 -1.46 -1.82 119.26 117.21 2jkt h ALA 407 Ca 0.48 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 55.39 2jkt h ALA 407 Cb 1.63 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 19.69 2jkt h ALA 407 CO -0.09 -0.97 0.61 1.49 0.00 0.00 0.00 179.25 180.29 2jkt h GLU 408 N -1.10 0.55 -0.00 0.00 4.57 -0.74 0.28 114.58 118.13 2jkt h GLU 408 Ca -0.09 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 57.92 2jkt h GLU 408 Cb 0.71 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 2jkt h GLU 408 CO 0.15 0.37 -0.62 0.52 -1.18 0.00 0.00 179.01 178.25 2jkt h MET 409 N 0.57 0.01 0.00 1.92 2.86 -0.97 -2.43 114.93 116.89 2jkt h MET 409 Ca 0.53 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 58.11 2jkt h MET 409 Cb 1.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 2jkt h MET 409 CO -0.27 0.63 -0.21 -0.07 1.06 0.00 0.00 176.91 178.04 2jkt h LEU 410 N 0.01 0.00 0.01 1.22 3.38 0.44 -2.41 115.31 117.97 2jkt h LEU 410 Ca -0.01 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 2jkt h LEU 410 Cb 1.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 2jkt h LEU 410 CO 0.08 0.21 -1.55 0.77 0.09 0.00 0.00 178.44 178.04 2jkt h SER 411 N 0.00 0.05 0.66 -0.43 4.64 -1.20 -3.12 113.55 114.15 2jkt h SER 411 Ca -0.00 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 2jkt h SER 411 Cb 0.71 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2jkt h SER 411 CO 0.03 1.07 -0.15 0.22 -0.87 0.00 0.00 176.83 177.13 2jkt h TYR 412 N 0.01 0.00 -0.05 4.77 3.20 -1.31 -2.76 116.97 120.82 2jkt h TYR 412 Ca -0.23 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.39 2jkt h TYR 412 Cb 1.96 0.00 0.02 0.00 1.54 0.00 0.00 36.73 40.25 2jkt h TYR 412 CO 0.01 0.15 -0.94 1.25 -1.64 0.00 0.00 178.16 176.98 2jkt h LEU 413 N 0.00 0.87 -1.54 2.82 5.85 -1.51 -3.20 115.31 118.61 2jkt h LEU 413 Ca -0.00 -0.65 0.30 0.00 0.84 0.00 0.00 57.88 58.36 2jkt h LEU 413 Cb 0.52 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.20 2jkt h LEU 413 CO 0.02 1.45 0.73 -0.33 -0.34 0.00 0.00 178.44 179.97 2jkt h GLU 414 N 0.42 0.26 -0.36 1.25 5.08 -1.42 -2.94 114.58 116.87 2jkt h GLU 414 Ca -0.10 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 57.97 2jkt h GLU 414 Cb 1.59 -0.06 -0.32 0.00 0.50 0.00 0.00 28.75 30.45 2jkt h GLU 414 CO 0.19 0.17 -0.88 0.25 -1.00 0.00 0.00 179.01 177.73 2jkt n THR 415 N -4.51 1.61 -4.17 1.13 -2.24 -1.24 -5.07 114.28 99.80 2jkt n THR 415 Ca 0.26 -3.02 -0.27 0.00 -2.27 0.00 0.00 64.05 58.75 2jkt n THR 415 Cb 1.01 0.17 -0.07 0.00 -2.10 0.00 0.00 70.33 69.33 2jkt n THR 415 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jkt s ALA 416 N -2.89 3.31 1.09 6.98 0.00 -1.11 -5.05 121.76 124.07 2jkt s ALA 416 Ca 0.38 -1.31 -0.21 0.00 0.00 0.00 0.00 51.96 50.82 2jkt s ALA 416 Cb 0.37 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 22.41 2jkt s ALA 416 CO -0.05 0.50 -0.45 -0.25 0.00 0.00 0.00 175.76 175.52 2jkt n ASP 417 N -0.14 -2.57 0.04 0.00 9.92 -1.26 -4.82 116.55 117.72 2jkt n ASP 417 Ca -0.09 -0.09 -0.05 0.00 -0.53 0.00 0.00 54.79 54.03 2jkt n ASP 417 Cb 0.55 -0.82 -0.10 0.00 -0.64 0.00 0.00 41.12 40.10 2jkt n ASP 417 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 2jkt h TYR 418 N -1.77 0.00 0.00 1.24 -1.99 -2.00 -3.17 116.97 109.28 2jkt h TYR 418 Ca -0.50 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.23 2jkt h TYR 418 Cb 1.37 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.10 2jkt h TYR 418 CO 0.11 0.86 0.00 0.66 -0.00 0.00 0.00 178.16 179.78 2jkt h SER 419 N 0.00 0.00 0.18 3.88 4.64 -2.05 -2.62 113.55 117.58 2jkt h SER 419 Ca -0.13 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.84 2jkt h SER 419 Cb 1.77 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.80 2jkt h SER 419 CO 0.09 0.00 -2.13 -0.38 -0.87 0.00 0.00 176.83 173.53 2jkt n ILE 420 N -2.73 1.52 -0.12 0.95 2.08 -1.20 -4.48 119.36 115.38 2jkt n ILE 420 Ca -0.02 -0.77 -0.06 0.00 0.56 0.00 0.00 62.75 62.46 2jkt n ILE 420 Cb 0.07 -0.94 -0.05 0.00 -0.75 0.00 0.00 39.64 37.98 2jkt n ILE 420 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2jkt h ARG 421 N 0.01 -0.10 -0.24 0.38 2.47 -1.46 -0.13 114.38 115.30 2jkt h ARG 421 Ca -0.45 0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.22 2jkt h ARG 421 Cb 2.10 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 30.43 2jkt h ARG 421 CO 0.04 -0.07 -0.09 1.49 0.56 0.00 0.00 179.97 181.90 2jkt h GLU 422 N -0.11 0.39 0.00 0.04 4.81 -1.81 0.15 114.58 118.05 2jkt h GLU 422 Ca 0.05 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2jkt h GLU 422 Cb 0.24 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2jkt h GLU 422 CO -0.35 0.49 0.00 1.05 -0.73 0.00 0.00 179.01 179.46 2jkt h GLU 423 N 0.37 0.00 0.11 1.92 4.11 -1.64 -2.92 114.58 116.52 2jkt h GLU 423 Ca 0.07 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.28 2jkt h GLU 423 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2jkt h GLU 423 CO 0.02 0.00 -1.11 0.82 0.07 0.00 0.00 179.01 178.81 2jkt h ILE 424 N 0.00 1.24 -0.79 -1.06 2.04 0.38 -3.19 117.51 116.13 2jkt h ILE 424 Ca 0.00 -2.43 0.19 0.00 1.00 0.00 0.00 64.86 63.62 2jkt h ILE 424 Cb 0.76 2.90 -0.13 0.00 -0.74 0.00 0.00 36.82 39.61 2jkt h ILE 424 CO 0.00 0.68 0.12 0.58 0.00 0.00 0.00 178.15 179.53 2jkt h VAL 425 N -0.41 0.38 -0.12 1.67 2.07 -0.70 -0.45 116.25 118.67 2jkt h VAL 425 Ca -0.23 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2jkt h VAL 425 Cb 1.65 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2jkt h VAL 425 CO 0.07 0.03 -0.00 -0.07 0.02 0.00 0.00 177.57 177.62 2jkt h LEU 426 N 0.18 0.22 -1.82 2.57 4.07 -1.65 0.13 115.31 119.00 2jkt h LEU 426 Ca 0.46 -0.31 0.02 0.00 0.08 0.00 0.00 57.88 58.12 2jkt h LEU 426 Cb 0.84 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.51 2jkt h LEU 426 CO -0.62 0.47 0.15 0.11 -1.08 0.00 0.00 178.44 177.48 2jkt h LYS 427 N -0.05 0.23 0.06 1.13 1.57 -1.25 0.70 116.57 118.96 2jkt h LYS 427 Ca 0.03 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 2jkt h LYS 427 Cb 0.36 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.63 2jkt h LYS 427 CO 0.01 0.16 -0.45 0.28 -0.57 0.00 0.00 179.45 178.87 2jkt h VAL 428 N 0.24 1.58 -0.37 0.50 2.07 -0.91 -2.79 116.25 116.57 2jkt h VAL 428 Ca 0.09 -2.30 0.08 0.00 0.82 0.00 0.00 66.70 65.39 2jkt h VAL 428 Cb 0.07 3.08 -0.09 0.00 -1.52 0.00 0.00 31.29 32.84 2jkt h VAL 428 CO -0.02 0.63 -0.31 0.00 0.02 0.00 0.00 177.57 177.90 2jkt h ALA 429 N 0.13 -0.16 -0.09 1.67 0.00 -0.42 -1.53 119.26 118.85 2jkt h ALA 429 Ca -0.07 0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2jkt h ALA 429 Cb 1.29 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 19.68 2jkt h ALA 429 CO 0.09 -0.71 -0.35 0.82 0.00 0.00 0.00 179.25 179.10 2jkt h ILE 430 N -0.25 0.25 -0.11 0.00 5.03 -0.95 -1.11 117.51 120.36 2jkt h ILE 430 Ca 0.17 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.89 2jkt h ILE 430 Cb 0.52 0.25 -0.01 0.00 -3.03 0.00 0.00 36.82 34.55 2jkt h ILE 430 CO -0.51 0.00 -0.00 -0.07 -0.68 0.00 0.00 178.15 176.89 2jkt h LEU 431 N -0.45 0.14 0.12 1.44 3.38 -1.15 -1.05 115.31 117.74 2jkt h LEU 431 Ca 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2jkt h LEU 431 Cb 0.58 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2jkt h LEU 431 CO -0.34 0.17 -0.06 0.00 0.09 0.00 0.00 178.44 178.30 2jkt h ALA 432 N 1.85 -0.17 0.00 1.53 0.00 -0.96 -1.70 119.26 119.81 2jkt h ALA 432 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jkt h ALA 432 Cb 0.12 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jkt h ALA 432 CO 0.00 -0.18 0.00 -0.85 0.00 0.00 0.00 179.25 178.22 2jkt n GLU 433 N -4.87 0.04 -0.08 0.00 0.28 -0.45 -1.41 120.64 114.16 2jkt n GLU 433 Ca -0.05 0.32 -0.10 0.00 -0.16 0.00 0.00 57.16 57.18 2jkt n GLU 433 Cb 0.18 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.46 2jkt n GLU 433 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2jkt n LYS 434 N -1.40 1.00 -0.10 3.44 4.81 -0.41 -4.67 118.16 120.83 2jkt n LYS 434 Ca 0.02 0.06 0.03 0.00 -0.87 0.00 0.00 58.31 57.55 2jkt n LYS 434 Cb 0.06 -1.35 0.09 0.00 0.02 0.00 0.00 35.03 33.84 2jkt n LYS 434 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2jkt n TYR 435 N -2.80 0.25 -2.24 5.64 0.53 -0.64 -5.00 117.16 112.90 2jkt n TYR 435 Ca -0.27 -0.44 -0.41 0.00 -1.02 0.00 0.00 57.90 55.75 2jkt n TYR 435 Cb 0.88 -0.03 -0.03 0.00 -1.03 0.00 0.00 39.34 39.13 2jkt n TYR 435 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2jkt s ALA 436 N -0.95 3.49 -0.09 -0.72 0.00 -0.50 -4.67 121.76 118.33 2jkt s ALA 436 Ca 0.13 1.11 -0.08 0.00 0.00 0.00 0.00 51.96 53.12 2jkt s ALA 436 Cb 0.07 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 2jkt s ALA 436 CO 0.09 -0.50 -0.18 1.33 0.00 0.00 0.00 175.76 176.51 2jkt n VAL 437 N 1.76 1.11 -2.55 0.00 0.24 -1.26 -4.91 118.33 112.71 2jkt n VAL 437 Ca 0.03 0.05 -0.43 0.00 -2.04 0.00 0.00 64.34 61.95 2jkt n VAL 437 Cb 0.43 -1.85 -0.02 0.00 -1.47 0.00 0.00 33.84 30.93 2jkt n VAL 437 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2jkt s ASP 438 N -6.11 6.55 0.00 -1.34 -1.08 -1.26 -4.90 116.67 108.53 2jkt s ASP 438 Ca -0.17 0.48 0.25 0.00 -0.52 0.00 0.00 52.55 52.59 2jkt s ASP 438 Cb 0.05 -2.55 1.18 0.00 -1.46 0.00 0.00 42.92 40.14 2jkt s ASP 438 CO 0.24 -1.32 1.83 -1.22 0.52 0.00 0.00 175.17 175.22 2jkt n TYR 439 N 8.11 0.00 0.22 -5.34 4.02 -1.26 -1.45 117.16 121.46 2jkt n TYR 439 Ca 0.12 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.13 2jkt n TYR 439 Cb 0.49 -0.39 0.20 0.00 -0.02 0.00 0.00 39.34 39.62 2jkt n TYR 439 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 2jkt h THR 440 N 0.00 0.09 0.23 -0.72 1.35 -1.90 -2.62 112.91 109.34 2jkt h THR 440 Ca 0.00 -1.08 -0.33 0.00 -0.55 0.00 0.00 66.41 64.46 2jkt h THR 440 Cb 0.33 2.00 0.03 0.00 -1.73 0.00 0.00 68.15 68.78 2jkt h THR 440 CO 0.00 0.05 -1.45 -0.25 -0.25 0.00 0.00 175.52 173.62 2jkt h TRP 441 N 0.00 0.89 0.24 4.73 7.01 -1.66 0.17 115.95 127.33 2jkt h TRP 441 Ca -0.00 -0.65 -0.01 0.00 2.11 0.00 0.00 58.89 60.35 2jkt h TRP 441 Cb 0.99 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 28.00 2jkt h TRP 441 CO 0.00 1.52 -0.28 -0.92 -2.79 0.00 0.00 178.44 175.97 2jkt h TYR 442 N 0.13 -0.78 -0.87 2.65 3.20 -1.52 0.66 116.97 120.44 2jkt h TYR 442 Ca -0.24 0.01 0.23 0.00 3.14 0.00 0.00 58.73 61.87 2jkt h TYR 442 Cb 2.14 0.31 -0.14 0.00 1.54 0.00 0.00 36.73 40.58 2jkt h TYR 442 CO 0.12 -0.36 0.26 0.28 -1.64 0.00 0.00 178.16 176.82 2jkt h VAL 443 N -0.52 0.36 0.68 1.81 2.07 -1.49 -0.16 116.25 119.00 2jkt h VAL 443 Ca -0.03 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2jkt h VAL 443 Cb 0.47 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2jkt h VAL 443 CO -0.06 0.05 -0.33 -0.78 0.02 0.00 0.00 177.57 176.47 2jkt h ASP 444 N 0.25 -0.78 -0.07 0.57 3.58 -0.25 -2.70 116.42 117.02 2jkt h ASP 444 Ca 0.54 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 58.00 2jkt h ASP 444 Cb 1.07 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.31 2jkt h ASP 444 CO -0.62 -0.48 -0.08 0.74 -2.88 0.00 0.00 179.24 175.92 2jkt h THR 445 N -1.04 0.00 -0.66 2.25 2.02 0.21 -2.78 112.91 112.91 2jkt h THR 445 Ca -0.09 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.17 2jkt h THR 445 Cb 0.73 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.03 2jkt h THR 445 CO 0.15 0.00 -0.50 0.40 0.37 0.00 0.00 175.52 175.95 2jkt h ILE 446 N -0.04 0.04 0.00 3.11 1.08 -1.26 0.27 117.51 120.71 2jkt h ILE 446 Ca 0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 2jkt h ILE 446 Cb 0.07 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 33.86 2jkt h ILE 446 CO -0.09 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.37 2jkt n LEU 447 N -5.37 0.42 -0.08 1.44 -0.00 -1.02 -0.93 117.00 111.45 2jkt n LEU 447 Ca 0.01 -0.21 -0.14 0.00 -0.00 0.00 0.00 56.01 55.67 2jkt n LEU 447 Cb 0.33 -0.21 -0.09 0.00 -0.00 0.00 0.00 43.42 43.45 2jkt n LEU 447 CO -0.05 0.10 -0.14 0.78 -0.00 0.00 0.00 177.39 178.09 2jkt h ASN 448 N 0.16 0.00 -0.63 1.45 4.21 -0.20 -2.95 115.58 117.62 2jkt h ASN 448 Ca 0.00 -0.54 0.12 0.00 1.21 0.00 0.00 56.30 57.08 2jkt h ASN 448 Cb 0.21 0.00 -0.09 0.00 -1.12 0.00 0.00 38.32 37.32 2jkt h ASN 448 CO 0.00 1.12 0.17 -0.07 -1.29 0.00 0.00 177.43 177.36 2jkt h LEU 449 N -1.00 0.08 -0.21 1.61 4.07 -1.00 0.13 115.31 118.99 2jkt h LEU 449 Ca -0.15 0.11 0.01 0.00 0.08 0.00 0.00 57.88 57.94 2jkt h LEU 449 Cb 0.95 0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.80 2jkt h LEU 449 CO -0.09 0.04 0.09 0.40 -1.08 0.00 0.00 178.44 177.81 2jkt h ILE 450 N 0.31 0.98 0.00 1.22 2.04 -1.62 -2.19 117.51 118.26 2jkt h ILE 450 Ca 0.34 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.13 2jkt h ILE 450 Cb 0.49 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2jkt h ILE 450 CO -0.39 0.04 0.00 -1.14 0.00 0.00 0.00 178.15 176.65 2jkt n ARG 451 N -5.01 0.00 -3.97 2.37 0.63 0.26 -2.97 116.66 107.97 2jkt n ARG 451 Ca -0.03 0.43 -0.30 0.00 -0.92 0.00 0.00 57.85 57.03 2jkt n ARG 451 Cb 0.06 -1.30 -0.14 0.00 0.45 0.00 0.00 32.46 31.52 2jkt n ARG 451 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2jkt s ILE 452 N -2.21 2.52 0.00 5.15 1.01 -0.11 -4.29 121.20 123.26 2jkt s ILE 452 Ca 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 60.65 57.56 2jkt s ILE 452 Cb 0.00 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.70 2jkt s ILE 452 CO 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 174.94 174.19 2jkt n ALA 453 N 3.38 0.00 -0.01 9.38 0.00 -1.15 -4.74 120.51 127.37 2jkt n ALA 453 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.50 2jkt n ALA 453 Cb 0.34 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.13 2jkt n ALA 453 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2jkt h GLY 454 N 0.00 0.60 0.96 0.00 0.00 -1.29 -2.46 103.07 100.88 2jkt h GLY 454 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2jkt h GLY 454 CO 0.00 0.29 0.49 -0.55 0.00 0.00 0.00 176.54 176.76 2jkt h ASP 455 N 0.55 0.00 -0.01 0.19 3.32 -1.87 -2.24 116.42 116.36 2jkt h ASP 455 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2jkt h ASP 455 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2jkt h ASP 455 CO -0.01 0.00 -0.17 -1.22 -1.72 0.00 0.00 179.24 176.13 2jkt n TYR 456 N -2.58 0.00 -2.61 4.55 4.02 -0.93 -4.90 117.16 114.71 2jkt n TYR 456 Ca -0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.45 2jkt n TYR 456 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.82 2jkt n TYR 456 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2jkt s VAL 457 N -1.34 4.44 1.20 -0.72 0.11 -0.85 -4.68 120.40 118.56 2jkt s VAL 457 Ca 0.11 1.63 -0.19 0.00 -2.93 0.00 0.00 61.98 60.60 2jkt s VAL 457 Cb 0.09 -4.42 0.29 0.00 -1.53 0.00 0.00 36.38 30.81 2jkt s VAL 457 CO 0.25 -0.55 1.13 -0.94 -3.33 0.00 0.00 175.10 171.66 2jkt s SER 458 N 1.86 0.97 0.05 3.54 1.04 -1.26 -4.91 113.70 114.99 2jkt s SER 458 Ca 0.47 0.56 -0.23 0.00 0.48 0.00 0.00 55.95 57.22 2jkt s SER 458 Cb -0.12 -0.75 -0.15 0.00 0.10 0.00 0.00 66.02 65.11 2jkt s SER 458 CO 0.18 -4.08 1.54 -0.33 0.98 0.00 0.00 173.24 171.53 2jkt h GLU 459 N -2.56 0.11 -0.89 4.02 4.39 -2.00 -3.01 114.58 114.65 2jkt h GLU 459 Ca -0.44 -0.03 0.22 0.00 0.34 0.00 0.00 59.36 59.45 2jkt h GLU 459 Cb 1.28 -0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 29.79 2jkt h GLU 459 CO 0.32 0.30 0.38 0.93 -1.16 0.00 0.00 179.01 179.78 2jkt h GLU 460 N -0.10 0.38 -0.50 2.33 3.07 -1.99 0.30 114.58 118.07 2jkt h GLU 460 Ca 0.02 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 2jkt h GLU 460 Cb 0.24 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 2jkt h GLU 460 CO 0.00 0.25 -0.08 0.28 -1.40 0.00 0.00 179.01 178.06 2jkt h VAL 461 N 0.39 1.27 0.00 3.13 2.07 -1.89 -2.21 116.25 119.00 2jkt h VAL 461 Ca 0.55 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2jkt h VAL 461 Cb 1.05 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2jkt h VAL 461 CO -0.53 0.42 -0.95 4.11 0.02 0.00 0.00 177.57 180.63 2jkt h TRP 462 N 0.79 0.00 -0.20 1.57 5.08 -1.24 -3.10 115.95 118.84 2jkt h TRP 462 Ca 0.13 0.00 0.01 0.00 1.08 0.00 0.00 58.89 60.11 2jkt h TRP 462 Cb 0.62 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.77 2jkt h TRP 462 CO 0.05 0.00 0.11 1.88 -1.28 0.00 0.00 178.44 179.19 2jkt h TYR 463 N 0.00 0.20 0.00 0.12 0.99 -0.92 -3.18 116.97 114.18 2jkt h TYR 463 Ca 0.00 0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.69 2jkt h TYR 463 Cb 0.96 -0.06 -0.01 0.00 1.00 0.00 0.00 36.73 38.62 2jkt h TYR 463 CO 0.00 0.12 -0.23 -0.09 -0.00 0.00 0.00 178.16 177.96 2jkt h ARG 464 N 0.23 0.00 -0.04 4.88 9.65 -1.33 0.46 114.38 128.23 2jkt h ARG 464 Ca 0.08 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.85 2jkt h ARG 464 Cb 0.01 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.60 2jkt h ARG 464 CO -0.05 0.23 -0.42 -0.39 2.80 0.00 0.00 179.97 182.14 2jkt h VAL 465 N 0.00 1.44 -0.24 0.20 -1.51 -1.60 0.73 116.25 115.26 2jkt h VAL 465 Ca -0.00 -1.88 0.05 0.00 -1.23 0.00 0.00 66.70 63.64 2jkt h VAL 465 Cb 0.65 2.47 -0.05 0.00 -2.13 0.00 0.00 31.29 32.22 2jkt h VAL 465 CO 0.03 0.54 -0.10 0.40 -1.23 0.00 0.00 177.57 177.21 2jkt h ILE 466 N -0.17 0.67 -0.40 7.19 2.04 -1.34 0.52 117.51 126.03 2jkt h ILE 466 Ca -0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.87 2jkt h ILE 466 Cb 1.10 0.67 -0.08 0.00 -0.74 0.00 0.00 36.82 37.77 2jkt h ILE 466 CO 0.08 0.00 -0.52 -0.61 0.00 0.00 0.00 178.15 177.11 2jkt h GLN 467 N -0.06 -0.34 -0.46 2.37 4.15 -0.13 -2.32 115.11 118.32 2jkt h GLN 467 Ca 0.13 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 2jkt h GLN 467 Cb 0.25 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 2jkt h GLN 467 CO -0.28 -0.23 0.23 0.82 -1.93 0.00 0.00 178.83 177.44 2jkt h ILE 468 N -0.36 1.15 0.00 2.39 2.04 0.02 -2.18 117.51 120.58 2jkt h ILE 468 Ca 0.07 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 2jkt h ILE 468 Cb 0.55 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2jkt h ILE 468 CO -0.56 0.17 -0.33 0.58 0.00 0.00 0.00 178.15 178.01 2jkt h VAL 469 N 0.64 0.85 -0.01 1.67 2.07 0.30 -2.19 116.25 119.58 2jkt h VAL 469 Ca 0.16 -1.35 -0.23 0.00 0.82 0.00 0.00 66.70 66.11 2jkt h VAL 469 Cb 0.05 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2jkt h VAL 469 CO -0.02 0.33 -0.93 0.40 0.02 0.00 0.00 177.57 177.36 2jkt h ILE 470 N 0.00 1.39 0.18 4.57 2.04 -0.84 -3.37 117.51 121.48 2jkt h ILE 470 Ca -0.00 -2.40 -0.01 0.00 1.00 0.00 0.00 64.86 63.45 2jkt h ILE 470 Cb 0.80 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 2jkt h ILE 470 CO 0.04 0.72 -0.09 0.78 0.00 0.00 0.00 178.15 179.60 2jkt h ASN 471 N 0.26 -0.21 -2.92 1.72 2.35 -1.41 -3.45 115.58 111.92 2jkt h ASN 471 Ca -0.08 0.01 -0.53 0.00 -0.55 0.00 0.00 56.30 55.15 2jkt h ASN 471 Cb 1.56 0.05 0.03 0.00 0.05 0.00 0.00 38.32 40.02 2jkt h ASN 471 CO 0.16 0.05 0.79 -0.13 -1.65 0.00 0.00 177.43 176.66 2jkt s ARG 472 N -2.38 4.28 -0.14 0.81 1.81 -0.83 -4.93 118.95 117.57 2jkt s ARG 472 Ca -0.04 2.18 0.12 0.00 -1.72 0.00 0.00 55.73 56.27 2jkt s ARG 472 Cb 0.00 -3.24 -0.23 0.00 -0.45 0.00 0.00 34.95 31.03 2jkt s ARG 472 CO 0.11 -0.51 0.28 -3.47 -0.68 0.00 0.00 175.30 171.03 2jkt n ASP 473 N 4.05 0.77 0.00 0.23 4.64 -1.26 -4.30 116.55 120.68 2jkt n ASP 473 Ca 0.12 0.16 0.00 0.00 -1.38 0.00 0.00 54.79 53.69 2jkt n ASP 473 Cb 0.41 0.26 0.00 0.00 -1.04 0.00 0.00 41.12 40.74 2jkt n ASP 473 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 2jkt n ASP 474 N -2.99 0.00 0.00 1.67 5.75 -1.26 -1.01 116.55 118.70 2jkt n ASP 474 Ca -0.29 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.49 2jkt n ASP 474 Cb 1.09 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.18 2jkt n ASP 474 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2jkt n VAL 475 N -0.65 0.00 0.27 2.12 0.24 -1.26 -4.79 118.33 114.26 2jkt n VAL 475 Ca 0.00 -0.17 0.14 0.00 -2.04 0.00 0.00 64.34 62.27 2jkt n VAL 475 Cb 0.00 1.45 0.73 0.00 -1.47 0.00 0.00 33.84 34.55 2jkt n VAL 475 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2jkt h GLN 476 N 0.00 0.00 0.12 7.34 4.20 -1.27 0.41 115.11 125.91 2jkt h GLN 476 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2jkt h GLN 476 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2jkt h GLN 476 CO 0.00 0.11 -0.06 0.78 -0.67 0.00 0.00 178.83 178.99 2jkt h GLY 477 N 1.08 -0.17 -0.36 3.46 0.00 -1.87 -2.94 103.07 102.28 2jkt h GLY 477 Ca -0.00 0.06 0.24 0.00 0.00 0.00 0.00 47.33 47.63 2jkt h GLY 477 CO 0.01 -0.06 0.33 -1.82 0.00 0.00 0.00 176.54 175.00 2jkt h TYR 478 N -0.66 0.53 -0.28 5.60 3.20 -1.83 0.99 116.97 124.51 2jkt h TYR 478 Ca -0.02 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 2jkt h TYR 478 Cb 0.12 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2jkt h TYR 478 CO 0.02 -0.14 0.13 0.00 -1.64 0.00 0.00 178.16 176.52 2jkt h ALA 479 N 1.76 0.37 -0.55 1.82 0.00 -0.31 0.22 119.26 122.56 2jkt h ALA 479 Ca 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 2jkt h ALA 479 Cb 1.15 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2jkt h ALA 479 CO -0.60 -0.06 0.26 0.00 0.00 0.00 0.00 179.25 178.85 2jkt h ALA 480 N 0.98 1.41 0.34 0.00 0.00 -0.68 -0.74 119.26 120.57 2jkt h ALA 480 Ca 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2jkt h ALA 480 Cb 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2jkt h ALA 480 CO -0.01 0.46 -0.16 -0.22 0.00 0.00 0.00 179.25 179.32 2jkt h LYS 481 N 0.78 -0.44 -0.49 0.00 3.64 -0.89 -3.05 116.57 116.11 2jkt h LYS 481 Ca 0.19 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.67 2jkt h LYS 481 Cb 0.10 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 2jkt h LYS 481 CO -0.02 -0.15 0.17 1.15 -2.27 0.00 0.00 179.45 178.33 2jkt h THR 482 N -1.00 0.83 -0.11 1.00 2.02 -0.31 0.40 112.91 115.74 2jkt h THR 482 Ca -0.05 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.02 2jkt h THR 482 Cb 0.50 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2jkt h THR 482 CO 0.08 0.06 0.08 0.58 0.37 0.00 0.00 175.52 176.69 2jkt h VAL 483 N 0.35 1.02 0.00 3.16 2.07 -1.29 -1.98 116.25 119.59 2jkt h VAL 483 Ca 0.23 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.63 2jkt h VAL 483 Cb 0.25 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2jkt h VAL 483 CO -0.24 0.03 -0.36 0.15 0.02 0.00 0.00 177.57 177.17 2jkt h PHE 484 N 0.14 0.00 0.10 1.57 3.57 -0.82 -2.12 116.94 119.39 2jkt h PHE 484 Ca 0.04 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.21 2jkt h PHE 484 Cb 0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2jkt h PHE 484 CO -0.00 0.36 -1.76 0.93 -2.23 0.00 0.00 178.31 175.61 2jkt h GLU 485 N 0.00 0.22 -0.36 1.11 5.08 -0.88 -3.34 114.58 116.40 2jkt h GLU 485 Ca -0.00 -0.37 -0.12 0.00 -1.00 0.00 0.00 59.36 57.87 2jkt h GLU 485 Cb 1.04 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2jkt h GLU 485 CO 0.05 1.04 -0.26 0.00 -1.00 0.00 0.00 179.01 178.84 2jkt h ALA 486 N 0.41 0.87 0.00 3.43 0.00 -1.43 -2.27 119.26 120.26 2jkt h ALA 486 Ca -0.33 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2jkt h ALA 486 Cb 2.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2jkt h ALA 486 CO 0.12 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.28 2jkt n LEU 487 N -4.10 0.00 0.04 0.00 4.77 -0.80 -2.61 117.00 114.31 2jkt n LEU 487 Ca -0.00 0.07 -0.06 0.00 -0.03 0.00 0.00 56.01 55.99 2jkt n LEU 487 Cb 0.45 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.36 2jkt n LEU 487 CO 0.45 -0.07 -0.09 1.56 -1.33 0.00 0.00 177.39 177.91 2jkt h GLN 488 N 0.00 0.00 -7.17 3.23 1.08 -1.53 -3.46 115.11 107.26 2jkt h GLN 488 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 2jkt h GLN 488 Cb 0.00 0.00 0.15 0.00 -0.05 0.00 0.00 27.48 27.58 2jkt h GLN 488 CO 0.00 0.72 0.40 0.00 -0.95 0.00 0.00 178.83 179.00 2jkt s ALA 489 N -2.71 2.17 0.02 3.87 0.00 -1.07 -4.96 121.76 119.07 2jkt s ALA 489 Ca -0.01 0.86 0.09 0.00 0.00 0.00 0.00 51.96 52.91 2jkt s ALA 489 Cb 0.09 -3.46 -0.23 0.00 0.00 0.00 0.00 23.12 19.52 2jkt s ALA 489 CO 0.81 -1.79 0.89 -1.35 0.00 0.00 0.00 175.76 174.33 2jkt h PRO 490 N -0.20 0.02 0.00 0.00 0.11 -1.91 -3.39 132.00 126.63 2jkt h PRO 490 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jkt h PRO 490 Cb 1.29 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2jkt h PRO 490 CO 0.50 0.73 0.00 0.00 -0.21 0.00 0.00 178.00 179.02 2jkt n ALA 491 N -2.50 -0.01 -1.50 -0.75 0.00 -1.26 -5.06 120.51 109.44 2jkt n ALA 491 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2jkt n ALA 491 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.46 2jkt n ALA 491 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jkt n HIS 493 N 1.62 -1.25 0.26 0.00 -0.00 -1.26 -4.81 115.22 109.77 2jkt n HIS 493 Ca 0.00 0.25 0.11 0.00 0.46 0.00 0.00 57.72 58.54 2jkt n HIS 493 Cb 0.00 -1.81 0.68 0.00 -0.12 0.00 0.00 29.99 28.75 2jkt n HIS 493 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 2jkt h GLU 494 N -1.51 0.00 0.00 1.57 4.81 -1.94 -2.18 114.58 115.33 2jkt h GLU 494 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2jkt h GLU 494 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2jkt h GLU 494 CO 0.35 0.12 0.00 -0.91 -0.73 0.00 0.00 179.01 177.84 2jkt h ASN 495 N 0.00 0.00 0.08 1.04 2.35 -1.91 -2.26 115.58 114.89 2jkt h ASN 495 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2jkt h ASN 495 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2jkt h ASN 495 CO 0.02 0.00 -0.04 0.25 -1.65 0.00 0.00 177.43 176.01 2jkt h LEU 496 N 0.00 -0.09 -1.90 1.61 5.85 -1.70 -2.83 115.31 116.25 2jkt h LEU 496 Ca 0.00 -0.51 0.22 0.00 0.84 0.00 0.00 57.88 58.43 2jkt h LEU 496 Cb 0.32 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2jkt h LEU 496 CO 0.00 0.54 0.66 0.58 -0.34 0.00 0.00 178.44 179.88 2jkt h VAL 497 N -0.81 0.40 0.26 1.05 2.07 -1.50 0.33 116.25 118.04 2jkt h VAL 497 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2jkt h VAL 497 Cb 0.60 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2jkt h VAL 497 CO 0.02 0.00 -0.12 0.11 0.02 0.00 0.00 177.57 177.60 2jkt h LYS 498 N 0.00 -0.33 -0.81 1.57 1.57 -1.43 -2.54 116.57 114.60 2jkt h LYS 498 Ca 0.36 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.28 2jkt h LYS 498 Cb 1.67 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 34.00 2jkt h LYS 498 CO -0.00 -0.22 0.53 0.28 -0.57 0.00 0.00 179.45 179.46 2jkt h VAL 499 N -0.82 0.89 0.04 0.50 2.07 -1.12 -2.83 116.25 114.98 2jkt h VAL 499 Ca -0.04 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 2jkt h VAL 499 Cb 0.26 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2jkt h VAL 499 CO 0.06 0.12 -0.02 1.23 0.02 0.00 0.00 177.57 178.98 2jkt h GLY 500 N 0.66 -0.05 0.81 2.17 0.00 -0.49 -2.23 103.07 103.93 2jkt h GLY 500 Ca 0.39 0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.81 2jkt h GLY 500 CO -0.15 -0.02 0.60 -1.33 0.00 0.00 0.00 176.54 175.63 2jkt h GLY 501 N -0.65 1.35 0.57 4.60 0.00 -1.35 -0.32 103.07 107.27 2jkt h GLY 501 Ca -0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 2jkt h GLY 501 CO 0.01 0.29 -0.03 -1.82 0.00 0.00 0.00 176.54 174.99 2jkt h TYR 502 N 1.03 0.09 -0.10 5.60 3.20 -1.57 -2.02 116.97 123.20 2jkt h TYR 502 Ca 0.40 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.25 2jkt h TYR 502 Cb 0.23 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 2jkt h TYR 502 CO -0.00 0.53 0.07 0.82 -1.64 0.00 0.00 178.16 177.94 2jkt h ILE 503 N -0.37 1.00 0.00 1.81 2.04 -1.10 -0.49 117.51 120.40 2jkt h ILE 503 Ca 0.01 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2jkt h ILE 503 Cb 0.52 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2jkt h ILE 503 CO 0.01 0.02 -0.44 0.18 0.00 0.00 0.00 178.15 177.91 2jkt n LEU 504 N -4.52 0.58 0.12 1.44 4.77 -0.16 -2.40 117.00 116.83 2jkt n LEU 504 Ca -0.01 0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 55.97 2jkt n LEU 504 Cb 0.12 -0.25 -0.16 0.00 -2.33 0.00 0.00 43.42 40.80 2jkt n LEU 504 CO 0.34 -0.02 -0.30 1.23 -1.33 0.00 0.00 177.39 177.31 2jkt h GLY 505 N 4.69 0.55 0.14 -0.72 0.00 -0.34 -3.40 103.07 104.00 2jkt h GLY 505 Ca 0.00 -1.42 -0.01 0.00 0.00 0.00 0.00 47.33 45.91 2jkt h GLY 505 CO 0.00 1.24 -0.07 0.83 0.00 0.00 0.00 176.54 178.54 2jkt h GLU 506 N 0.09 -0.18 0.00 4.80 4.39 -1.49 -3.45 114.58 118.73 2jkt h GLU 506 Ca -0.27 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.44 2jkt h GLU 506 Cb 2.11 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.80 2jkt h GLU 506 CO 0.24 -0.12 0.00 1.19 -1.16 0.00 0.00 179.01 179.16 2jkt n PHE 507 N -4.69 0.00 0.00 4.33 3.01 -1.01 -4.68 117.46 114.41 2jkt n PHE 507 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 2jkt n PHE 507 Cb 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 2jkt n PHE 507 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jkt n GLY 508 N 5.00 2.98 0.16 1.37 0.00 -1.25 -4.27 105.19 109.18 2jkt n GLY 508 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2jkt n GLY 508 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2jkt h ASN 509 N 0.00 0.00 -0.91 1.61 7.08 -1.83 -2.56 115.58 118.97 2jkt h ASN 509 Ca 0.00 0.00 -0.44 0.00 -3.08 0.00 0.00 56.30 52.78 2jkt h ASN 509 Cb 0.00 0.00 -0.26 0.00 -2.08 0.00 0.00 38.32 35.98 2jkt h ASN 509 CO 0.00 0.00 0.56 0.00 -2.08 0.00 0.00 177.43 175.91 2jkt n LEU 510 N -2.37 6.46 0.00 6.14 -0.00 -1.26 -3.61 117.00 122.36 2jkt n LEU 510 Ca 0.01 -3.43 0.00 0.00 -0.00 0.00 0.00 56.01 52.59 2jkt n LEU 510 Cb 0.18 -0.81 0.00 0.00 -0.00 0.00 0.00 43.42 42.80 2jkt n LEU 510 CO 0.18 0.98 0.02 0.00 -0.00 0.00 0.00 177.39 178.57 2jkt n ILE 511 N -0.88 0.00 1.71 1.47 3.06 -0.99 -4.86 119.36 118.86 2jkt n ILE 511 Ca 0.54 0.00 0.02 0.00 -2.50 0.00 0.00 62.75 60.81 2jkt n ILE 511 Cb 1.57 0.74 0.08 0.00 0.54 0.00 0.00 39.64 42.57 2jkt n ILE 511 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2jkt n ALA 512 N 0.00 2.49 -0.06 1.51 0.00 -1.02 -3.93 120.51 119.50 2jkt n ALA 512 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2jkt n ALA 512 Cb 0.31 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2jkt n ALA 512 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jkt n GLY 513 N 0.67 -0.66 3.58 0.00 0.00 -1.26 -4.40 105.19 103.13 2jkt n GLY 513 Ca 0.04 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.53 2jkt n GLY 513 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jkt n ASP 514 N -1.90 1.49 0.03 1.61 2.03 -1.25 -4.87 116.55 113.69 2jkt n ASP 514 Ca 0.00 1.12 0.14 0.00 0.52 0.00 0.00 54.79 56.57 2jkt n ASP 514 Cb 0.00 -1.16 0.55 0.00 -0.72 0.00 0.00 41.12 39.79 2jkt n ASP 514 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2jkt n PRO 515 N 2.48 0.08 -0.34 -0.67 -0.02 -1.26 -2.52 135.00 132.75 2jkt n PRO 515 Ca 0.19 0.07 0.33 0.00 -2.02 0.00 0.00 63.50 62.07 2jkt n PRO 515 Cb 0.18 -1.60 0.60 0.00 -0.02 0.00 0.00 33.50 32.66 2jkt n PRO 515 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jkt n ARG 516 N -1.74 -0.06 -2.92 -0.52 5.12 -1.26 -2.34 116.66 112.94 2jkt n ARG 516 Ca 0.06 1.34 -0.15 0.00 -1.93 0.00 0.00 57.85 57.18 2jkt n ARG 516 Cb 0.36 -2.44 -0.00 0.00 -1.16 0.00 0.00 32.46 29.22 2jkt n ARG 516 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2jkt n SER 517 N -5.14 1.44 -4.45 0.55 3.41 -1.05 -4.99 113.62 103.39 2jkt n SER 517 Ca 0.38 -2.94 -0.32 0.00 -0.26 0.00 0.00 58.87 55.72 2jkt n SER 517 Cb 1.32 -0.57 0.14 0.00 -0.26 0.00 0.00 64.21 64.83 2jkt n SER 517 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2jkt n SER 518 N 0.07 -1.66 -0.17 4.04 2.88 -0.99 -3.98 113.62 113.80 2jkt n SER 518 Ca 0.19 0.30 0.04 0.00 -1.33 0.00 0.00 58.87 58.07 2jkt n SER 518 Cb 0.72 -1.24 0.32 0.00 -0.75 0.00 0.00 64.21 63.26 2jkt n SER 518 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2jkt h PRO 519 N -1.68 0.81 0.00 -1.46 0.13 -1.91 -1.35 132.00 126.54 2jkt h PRO 519 Ca -0.44 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 64.45 2jkt h PRO 519 Cb 1.29 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 2jkt h PRO 519 CO 0.36 0.54 -0.90 1.25 -0.23 0.00 0.00 178.00 179.02 2jkt h LEU 520 N 0.83 0.01 -1.01 1.56 5.85 -1.97 -3.03 115.31 117.56 2jkt h LEU 520 Ca 0.28 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.90 2jkt h LEU 520 Cb 0.08 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2jkt h LEU 520 CO -0.08 0.90 -0.30 0.40 -0.34 0.00 0.00 178.44 179.02 2jkt h ILE 521 N 0.00 1.27 -0.03 4.05 1.08 -1.71 -2.55 117.51 119.62 2jkt h ILE 521 Ca -0.01 -1.30 -0.11 0.00 -0.39 0.00 0.00 64.86 63.04 2jkt h ILE 521 Cb 1.59 1.47 0.01 0.00 -3.07 0.00 0.00 36.82 36.82 2jkt h ILE 521 CO 0.12 0.40 -0.41 1.56 -0.69 0.00 0.00 178.15 179.13 2jkt h GLN 522 N 0.30 0.34 -0.60 2.37 4.20 -1.28 -2.61 115.11 117.83 2jkt h GLN 522 Ca 0.04 -0.32 -0.04 0.00 0.06 0.00 0.00 58.65 58.39 2jkt h GLN 522 Cb 0.69 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 2jkt h GLN 522 CO 0.05 0.99 0.20 0.35 -0.67 0.00 0.00 178.83 179.74 2jkt h PHE 523 N -0.20 0.91 -0.06 2.96 3.57 -1.53 -0.49 116.94 122.10 2jkt h PHE 523 Ca -0.04 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.35 2jkt h PHE 523 Cb 1.10 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 2jkt h PHE 523 CO 0.14 0.72 -0.16 -0.91 -2.23 0.00 0.00 178.31 175.88 2jkt h ASN 524 N 0.87 0.09 -0.02 0.41 2.35 -1.48 -1.36 115.58 116.44 2jkt h ASN 524 Ca 0.20 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 2jkt h ASN 524 Cb 0.23 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2jkt h ASN 524 CO -0.01 0.27 -0.17 0.25 -1.65 0.00 0.00 177.43 176.12 2jkt h LEU 525 N 0.10 0.19 -0.74 1.61 5.85 -0.74 -2.92 115.31 118.66 2jkt h LEU 525 Ca 0.02 -0.69 -0.10 0.00 0.84 0.00 0.00 57.88 57.94 2jkt h LEU 525 Cb 0.34 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2jkt h LEU 525 CO 0.02 0.85 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.75 2jkt h LEU 526 N -0.46 0.80 -0.56 2.25 3.38 -1.11 -3.11 115.31 116.49 2jkt h LEU 526 Ca -0.01 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2jkt h LEU 526 Cb 0.85 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2jkt h LEU 526 CO 0.03 0.96 0.00 -0.74 0.09 0.00 0.00 178.44 178.78 2jkt h HIS 527 N 0.71 0.00 -0.03 1.13 2.76 -1.29 -1.47 115.15 116.97 2jkt h HIS 527 Ca 0.11 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.11 2jkt h HIS 527 Cb 0.66 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.60 2jkt h HIS 527 CO 0.03 0.00 -0.75 0.66 -1.30 0.00 0.00 177.93 176.57 2jkt h SER 528 N 0.00 0.23 1.00 3.26 4.64 -1.44 -3.10 113.55 118.14 2jkt h SER 528 Ca 0.00 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2jkt h SER 528 Cb 0.63 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2jkt h SER 528 CO 0.00 0.90 -0.15 0.29 -0.87 0.00 0.00 176.83 177.00 2jkt n LYS 529 N -3.75 0.09 0.03 4.77 5.02 -0.62 -4.20 118.16 119.50 2jkt n LYS 529 Ca -0.03 0.06 -0.01 0.00 -2.02 0.00 0.00 58.31 56.30 2jkt n LYS 529 Cb 0.72 -1.58 -0.01 0.00 -0.02 0.00 0.00 35.03 34.14 2jkt n LYS 529 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 2jkt h PHE 530 N 0.00 -0.08 0.00 2.13 3.57 -1.29 -3.30 116.94 117.98 2jkt h PHE 530 Ca 0.00 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 2jkt h PHE 530 Cb 0.58 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 2jkt h PHE 530 CO 0.00 -0.05 1.19 0.72 -2.23 0.00 0.00 178.31 177.94 2jkt n HIS 531 N -2.26 0.43 0.00 0.41 8.25 -1.26 -0.71 115.22 120.08 2jkt n HIS 531 Ca -0.01 -0.94 0.00 0.00 -0.26 0.00 0.00 57.72 56.51 2jkt n HIS 531 Cb 0.03 -1.00 0.00 0.00 1.12 0.00 0.00 29.99 30.14 2jkt n HIS 531 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 2jkt n LEU 532 N 3.85 0.00 -4.60 2.41 -0.00 -1.25 -5.13 117.00 112.29 2jkt n LEU 532 Ca 0.19 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.91 2jkt n LEU 532 Cb 0.16 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.48 2jkt n LEU 532 CO 0.44 0.00 -0.40 0.00 -0.00 0.00 0.00 177.39 177.43 2jkt n SER 534 N 0.49 -3.04 0.08 0.00 3.41 -1.26 -4.60 113.62 108.69 2jkt n SER 534 Ca -0.12 0.25 -0.12 0.00 -0.26 0.00 0.00 58.87 58.62 2jkt n SER 534 Cb 0.53 -1.07 -0.05 0.00 -0.26 0.00 0.00 64.21 63.37 2jkt n SER 534 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2jkt h VAL 535 N -1.46 0.54 -0.28 -3.33 2.07 -1.98 -1.60 116.25 110.20 2jkt h VAL 535 Ca -0.44 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.16 2jkt h VAL 535 Cb 1.30 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2jkt h VAL 535 CO 0.32 0.00 0.47 -0.65 0.02 0.00 0.00 177.57 177.73 2jkt h PRO 536 N -0.34 0.00 0.00 1.57 0.11 -1.99 1.59 132.00 132.94 2jkt h PRO 536 Ca 0.05 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.91 2jkt h PRO 536 Cb 0.39 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.46 2jkt h PRO 536 CO -0.15 0.00 -1.52 1.15 -0.21 0.00 0.00 178.00 177.27 2jkt h THR 537 N 0.00 0.87 0.02 -1.15 2.02 -1.73 -2.94 112.91 110.00 2jkt h THR 537 Ca 0.13 -2.61 -0.20 0.00 0.77 0.00 0.00 66.41 64.50 2jkt h THR 537 Cb 1.07 2.38 -0.02 0.00 -1.74 0.00 0.00 68.15 69.84 2jkt h THR 537 CO -0.00 0.49 -0.94 0.03 0.37 0.00 0.00 175.52 175.48 2jkt h ARG 538 N 0.00 0.09 -0.27 6.66 3.08 0.30 -0.90 114.38 123.34 2jkt h ARG 538 Ca -0.22 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 59.60 2jkt h ARG 538 Cb 1.87 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.95 2jkt h ARG 538 CO 0.08 0.96 -0.30 0.00 -1.07 0.00 0.00 179.97 179.63 2jkt h ALA 539 N 1.00 0.40 -0.59 0.04 0.00 -0.57 -1.56 119.26 117.98 2jkt h ALA 539 Ca -0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2jkt h ALA 539 Cb 1.62 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 2jkt h ALA 539 CO 0.13 0.43 0.34 1.25 0.00 0.00 0.00 179.25 181.40 2jkt h LEU 540 N 0.42 0.71 -0.57 0.00 5.85 -1.47 -1.64 115.31 118.61 2jkt h LEU 540 Ca 0.04 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 2jkt h LEU 540 Cb 0.88 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2jkt h LEU 540 CO 0.07 0.56 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.64 2jkt h LEU 541 N 0.81 1.01 -0.20 2.25 4.07 -1.01 -2.82 115.31 119.43 2jkt h LEU 541 Ca 0.21 -0.32 0.01 0.00 0.08 0.00 0.00 57.88 57.86 2jkt h LEU 541 Cb -0.01 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.45 2jkt h LEU 541 CO -0.04 1.08 0.12 -0.07 -1.08 0.00 0.00 178.44 178.45 2jkt h LEU 542 N 0.91 0.19 -0.91 1.67 3.38 -0.36 0.20 115.31 120.38 2jkt h LEU 542 Ca 0.16 -0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.35 2jkt h LEU 542 Cb 0.58 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.16 2jkt h LEU 542 CO 0.03 0.14 0.43 0.28 0.09 0.00 0.00 178.44 179.42 2jkt h SER 543 N 0.24 0.40 -0.53 -0.43 0.02 -1.40 -1.51 113.55 110.35 2jkt h SER 543 Ca 0.07 0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 2jkt h SER 543 Cb -0.01 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 2jkt h SER 543 CO -0.03 0.02 -0.15 0.74 -1.14 0.00 0.00 176.83 176.27 2jkt h THR 544 N 0.44 1.27 -0.81 -2.27 2.02 -0.61 -2.84 112.91 110.11 2jkt h THR 544 Ca 0.57 -1.32 0.05 0.00 0.77 0.00 0.00 66.41 66.48 2jkt h THR 544 Cb 1.08 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 68.46 2jkt h THR 544 CO -0.51 0.46 0.53 1.88 0.37 0.00 0.00 175.52 178.25 2jkt h TYR 545 N 0.91 0.93 0.10 3.16 0.99 0.33 -2.77 116.97 120.62 2jkt h TYR 545 Ca 0.13 0.02 -0.28 0.00 2.00 0.00 0.00 58.73 60.60 2jkt h TYR 545 Cb 0.73 -0.31 -0.01 0.00 1.00 0.00 0.00 36.73 38.14 2jkt h TYR 545 CO 0.05 0.52 -1.36 0.97 -0.00 0.00 0.00 178.16 178.34 2jkt h ILE 546 N 0.94 1.35 -0.14 -2.88 6.09 -1.39 -2.79 117.51 118.69 2jkt h ILE 546 Ca 0.34 -2.98 0.04 0.00 -1.37 0.00 0.00 64.86 60.89 2jkt h ILE 546 Cb 0.13 2.83 -0.01 0.00 0.47 0.00 0.00 36.82 40.25 2jkt h ILE 546 CO -0.11 0.85 0.15 0.11 -3.07 0.00 0.00 178.15 176.08 2jkt h LYS 547 N 0.06 0.00 -0.04 2.19 1.57 -1.27 -1.63 116.57 117.44 2jkt h LYS 547 Ca -0.17 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.50 2jkt h LYS 547 Cb 1.97 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.29 2jkt h LYS 547 CO 0.17 0.00 -0.41 0.74 -0.57 0.00 0.00 179.45 179.39 2jkt h PHE 548 N 0.00 0.49 -0.91 -1.35 -1.00 -1.24 -2.34 116.94 110.60 2jkt h PHE 548 Ca 0.06 -0.24 0.25 0.00 2.81 0.00 0.00 57.97 60.86 2jkt h PHE 548 Cb 0.36 -0.07 -0.05 0.00 3.61 0.00 0.00 35.95 39.81 2jkt h PHE 548 CO 0.00 1.01 0.64 0.28 -1.61 0.00 0.00 178.31 178.63 2jkt h VAL 549 N -0.17 0.58 0.24 -0.55 2.07 -1.08 0.25 116.25 117.58 2jkt h VAL 549 Ca -0.04 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2jkt h VAL 549 Cb 1.09 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2jkt h VAL 549 CO 0.08 0.02 -0.11 -1.13 0.02 0.00 0.00 177.57 176.45 2jkt h ASN 550 N 0.10 -0.27 -0.38 0.57 -0.00 -1.33 -3.38 115.58 110.89 2jkt h ASN 550 Ca 0.44 -0.21 -0.07 0.00 -0.00 0.00 0.00 56.30 56.46 2jkt h ASN 550 Cb 1.59 0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 39.97 2jkt h ASN 550 CO -0.06 0.24 -0.03 -0.07 -0.00 0.00 0.00 177.43 177.51 2jkt h LEU 551 N -0.96 0.69 -6.99 0.34 4.07 -0.79 -3.39 115.31 108.27 2jkt h LEU 551 Ca -0.03 -0.33 -0.62 0.00 0.08 0.00 0.00 57.88 56.98 2jkt h LEU 551 Cb 0.47 -0.19 -0.41 0.00 1.08 0.00 0.00 40.66 41.61 2jkt h LEU 551 CO 0.05 0.85 -0.70 -0.36 -1.08 0.00 0.00 178.44 177.21 2jkt s PHE 552 N -4.92 2.60 -0.97 1.13 0.40 0.79 -4.94 117.98 112.08 2jkt s PHE 552 Ca -0.13 -2.86 0.00 0.00 -0.60 0.00 0.00 56.93 53.34 2jkt s PHE 552 Cb 0.10 -2.18 0.00 0.00 0.51 0.00 0.00 43.02 41.45 2jkt s PHE 552 CO 0.80 -0.70 0.91 -2.30 0.70 0.00 0.00 175.22 174.62 2jkt n PRO 553 N 2.80 0.00 -0.04 0.24 -0.02 -1.26 -1.75 135.00 134.98 2jkt n PRO 553 Ca 0.15 0.41 -0.15 0.00 -2.02 0.00 0.00 63.50 61.89 2jkt n PRO 553 Cb 0.36 -1.55 -0.08 0.00 -0.02 0.00 0.00 33.50 32.22 2jkt n PRO 553 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2jkt h GLU 554 N 0.00 0.50 -0.32 -0.52 4.11 -1.91 -3.18 114.58 113.25 2jkt h GLU 554 Ca 0.00 -0.37 0.00 0.00 0.07 0.00 0.00 59.36 59.06 2jkt h GLU 554 Cb 0.09 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2jkt h GLU 554 CO 0.00 1.00 0.00 1.33 0.07 0.00 0.00 179.01 181.41 2jkt n VAL 555 N -4.29 0.42 -0.36 -1.06 0.24 -0.71 -3.93 118.33 108.63 2jkt n VAL 555 Ca -0.07 -0.51 -0.03 0.00 -2.04 0.00 0.00 64.34 61.69 2jkt n VAL 555 Cb 0.55 0.42 0.10 0.00 -1.47 0.00 0.00 33.84 33.44 2jkt n VAL 555 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2jkt h LYS 556 N 2.69 1.29 -0.44 7.34 3.64 -1.53 -0.70 116.57 128.85 2jkt h LYS 556 Ca 0.00 -0.10 0.09 0.00 -1.27 0.00 0.00 60.65 59.37 2jkt h LYS 556 Cb 0.60 -0.28 -0.08 0.00 -0.41 0.00 0.00 32.23 32.06 2jkt h LYS 556 CO 0.00 0.88 -0.10 0.00 -2.27 0.00 0.00 179.45 177.95 2jkt h ALA 557 N 1.34 0.30 0.15 5.00 0.00 -1.77 -1.47 119.26 122.80 2jkt h ALA 557 Ca 0.35 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 2jkt h ALA 557 Cb -0.11 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jkt h ALA 557 CO -0.07 -0.44 -0.07 1.15 0.00 0.00 0.00 179.25 179.81 2jkt h THR 558 N 0.01 0.00 -1.36 0.00 2.02 -1.70 -3.29 112.91 108.58 2jkt h THR 558 Ca 0.21 -0.29 0.40 0.00 0.77 0.00 0.00 66.41 67.50 2jkt h THR 558 Cb 0.32 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.66 2jkt h THR 558 CO -0.45 0.00 0.95 0.40 0.37 0.00 0.00 175.52 176.79 2jkt h ILE 559 N -0.49 0.29 0.04 3.11 2.04 -1.23 -1.30 117.51 119.97 2jkt h ILE 559 Ca -0.02 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.82 2jkt h ILE 559 Cb 0.15 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2jkt h ILE 559 CO 0.03 0.01 -0.07 -0.61 0.00 0.00 0.00 178.15 177.52 2jkt h GLN 560 N 0.08 -0.14 -0.83 2.37 4.15 -1.33 -2.47 115.11 116.93 2jkt h GLN 560 Ca 0.70 0.01 -0.19 0.00 0.77 0.00 0.00 58.65 59.93 2jkt h GLN 560 Cb 2.54 0.03 -0.11 0.00 0.21 0.00 0.00 27.48 30.14 2jkt h GLN 560 CO -0.12 -0.09 0.24 -0.40 -1.93 0.00 0.00 178.83 176.53 2jkt n ASP 561 N -5.19 4.13 -0.03 -0.69 5.75 -0.50 -2.15 116.55 117.87 2jkt n ASP 561 Ca -0.07 -2.96 -0.11 0.00 -0.01 0.00 0.00 54.79 51.64 2jkt n ASP 561 Cb 0.11 -0.70 -0.14 0.00 -1.03 0.00 0.00 41.12 39.36 2jkt n ASP 561 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2jkt n VAL 562 N -0.12 1.60 0.48 2.12 0.31 -0.95 -3.83 118.33 117.93 2jkt n VAL 562 Ca 0.33 -0.78 0.12 0.00 -0.01 0.00 0.00 64.34 64.00 2jkt n VAL 562 Cb 1.18 -1.05 0.28 0.00 -0.91 0.00 0.00 33.84 33.34 2jkt n VAL 562 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2jkt h LEU 563 N 0.01 0.00 0.00 7.52 3.38 -1.23 -3.32 115.31 121.67 2jkt h LEU 563 Ca -0.35 -0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.38 2jkt h LEU 563 Cb 2.05 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.76 2jkt h LEU 563 CO 0.07 0.02 -1.73 -1.14 0.09 0.00 0.00 178.44 175.75 2jkt n ARG 564 N -2.49 0.64 -2.17 1.13 0.63 -1.02 -4.24 116.66 109.14 2jkt n ARG 564 Ca 0.04 0.14 -0.37 0.00 -0.92 0.00 0.00 57.85 56.74 2jkt n ARG 564 Cb 0.47 -1.71 0.00 0.00 0.45 0.00 0.00 32.46 31.66 2jkt n ARG 564 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2jkt s SER 565 N -5.62 5.96 0.25 6.15 1.04 -1.25 -4.75 113.70 115.49 2jkt s SER 565 Ca -0.05 2.38 -0.07 0.00 0.48 0.00 0.00 55.95 58.69 2jkt s SER 565 Cb 0.09 -2.61 0.45 0.00 0.10 0.00 0.00 66.02 64.05 2jkt s SER 565 CO 0.83 -1.07 1.61 0.44 0.98 0.00 0.00 173.24 176.03 2jkt h ASP 566 N 1.87 -0.51 -1.27 7.02 3.32 -1.91 -1.95 116.42 122.99 2jkt h ASP 566 Ca -0.50 0.22 0.43 0.00 0.02 0.00 0.00 57.03 57.21 2jkt h ASP 566 Cb 1.26 0.42 -0.12 0.00 0.22 0.00 0.00 39.33 41.11 2jkt h ASP 566 CO 0.59 -0.24 0.82 -1.20 -1.72 0.00 0.00 179.24 177.50 2jkt n SER 567 N -5.43 0.17 -0.11 6.45 7.64 -1.26 -0.73 113.62 120.35 2jkt n SER 567 Ca 0.14 1.21 -0.24 0.00 1.01 0.00 0.00 58.87 60.99 2jkt n SER 567 Cb 0.49 -0.59 -0.11 0.00 -1.01 0.00 0.00 64.21 62.98 2jkt n SER 567 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jkt n GLN 568 N -4.43 0.63 0.17 1.43 3.00 -0.74 -3.70 117.38 113.74 2jkt n GLN 568 Ca 0.36 0.30 0.04 0.00 -0.01 0.00 0.00 57.00 57.69 2jkt n GLN 568 Cb 1.43 -1.59 0.24 0.00 0.00 0.00 0.00 30.24 30.32 2jkt n GLN 568 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2jkt h LEU 569 N -0.56 0.00 -2.76 1.08 3.38 -1.17 -2.81 115.31 112.47 2jkt h LEU 569 Ca -0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2jkt h LEU 569 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 2jkt h LEU 569 CO -0.21 0.44 0.00 0.29 0.09 0.00 0.00 178.44 179.05 2jkt n LYS 570 N -3.46 2.69 -1.39 1.13 5.02 0.09 -4.94 118.16 117.30 2jkt n LYS 570 Ca 0.00 -2.06 -0.46 0.00 -2.02 0.00 0.00 58.31 53.77 2jkt n LYS 570 Cb 0.59 -1.30 -0.02 0.00 -0.02 0.00 0.00 35.03 34.27 2jkt n LYS 570 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2jkt n ASN 571 N 0.67 -1.52 0.20 4.39 2.85 -1.06 -4.84 115.26 115.95 2jkt n ASN 571 Ca 0.13 1.03 0.12 0.00 -0.11 0.00 0.00 54.58 55.75 2jkt n ASN 571 Cb 0.44 -0.96 0.15 0.00 1.24 0.00 0.00 39.78 40.65 2jkt n ASN 571 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jkt h ALA 572 N 0.86 0.93 -2.69 5.20 0.00 -1.91 -3.43 119.26 118.23 2jkt h ALA 572 Ca -0.32 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.07 2jkt h ALA 572 Cb 1.43 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2jkt h ALA 572 CO 0.54 0.00 0.23 0.34 0.00 0.00 0.00 179.25 180.36 2jkt s ASP 573 N -6.05 7.39 0.08 0.00 3.68 -1.26 -4.98 116.67 115.53 2jkt s ASP 573 Ca 0.06 1.66 -0.33 0.00 2.13 0.00 0.00 52.55 56.06 2jkt s ASP 573 Cb 0.06 -2.52 -0.17 0.00 -1.45 0.00 0.00 42.92 38.84 2jkt s ASP 573 CO 0.68 0.10 1.61 -0.37 0.13 0.00 0.00 175.17 177.32 2jkt h VAL 574 N 3.65 0.22 -0.85 1.11 -1.51 -2.00 -2.38 116.25 114.49 2jkt h VAL 574 Ca -0.45 0.00 0.09 0.00 -1.23 0.00 0.00 66.70 65.10 2jkt h VAL 574 Cb 1.21 0.22 -0.07 0.00 -2.13 0.00 0.00 31.29 30.52 2jkt h VAL 574 CO 0.69 0.00 0.51 -0.08 -1.23 0.00 0.00 177.57 177.45 2jkt h GLU 575 N -0.93 0.84 -0.46 5.19 4.57 -1.98 0.13 114.58 121.96 2jkt h GLU 575 Ca -0.07 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.00 2jkt h GLU 575 Cb 0.76 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 2jkt h GLU 575 CO 0.06 0.56 0.05 -0.07 -1.18 0.00 0.00 179.01 178.43 2jkt h LEU 576 N 0.87 0.67 -0.19 1.64 4.07 -1.94 -2.45 115.31 117.98 2jkt h LEU 576 Ca 0.40 -0.13 -0.13 0.00 0.08 0.00 0.00 57.88 58.09 2jkt h LEU 576 Cb 0.31 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 2jkt h LEU 576 CO -0.22 0.71 -0.63 -0.61 -1.08 0.00 0.00 178.44 176.60 2jkt h GLN 577 N 0.68 0.00 0.41 1.13 4.15 -0.49 -2.51 115.11 118.47 2jkt h GLN 577 Ca 0.14 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 2jkt h GLN 577 Cb 0.35 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.04 2jkt h GLN 577 CO 0.01 0.63 -0.19 1.96 -1.93 0.00 0.00 178.83 179.31 2jkt h GLN 578 N 0.00 -0.52 -1.06 1.69 1.08 -1.02 -2.25 115.11 113.03 2jkt h GLN 578 Ca -0.01 0.04 0.29 0.00 -1.45 0.00 0.00 58.65 57.52 2jkt h GLN 578 Cb 1.40 0.12 -0.11 0.00 -0.05 0.00 0.00 27.48 28.84 2jkt h GLN 578 CO 0.08 -0.35 0.65 0.00 -0.95 0.00 0.00 178.83 178.27 2jkt h ARG 579 N -0.75 0.39 0.52 1.46 -0.00 -1.47 -0.08 114.38 114.46 2jkt h ARG 579 Ca -0.06 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.98 59.38 2jkt h ARG 579 Cb 0.42 -0.09 0.01 0.00 0.00 0.00 0.00 29.97 30.30 2jkt h ARG 579 CO 0.09 0.26 -0.25 0.00 0.00 0.00 0.00 179.97 180.07 2jkt h ALA 580 N 1.68 -0.75 -0.68 0.04 0.00 -1.46 -1.59 119.26 116.50 2jkt h ALA 580 Ca 0.65 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.55 2jkt h ALA 580 Cb 1.57 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 19.52 2jkt h ALA 580 CO -0.40 -0.70 0.13 0.28 0.00 0.00 0.00 179.25 178.56 2jkt h VAL 581 N -1.09 0.54 0.53 0.00 2.07 -0.72 -1.09 116.25 116.48 2jkt h VAL 581 Ca -0.07 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 2jkt h VAL 581 Cb 0.53 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2jkt h VAL 581 CO 0.12 0.04 -0.26 -0.33 0.02 0.00 0.00 177.57 177.16 2jkt h GLU 582 N 0.24 -0.69 -0.45 1.57 5.08 -1.07 0.13 114.58 119.39 2jkt h GLU 582 Ca 0.38 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.76 2jkt h GLU 582 Cb 0.62 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2jkt h GLU 582 CO -0.49 -0.41 0.17 1.88 -1.00 0.00 0.00 179.01 179.16 2jkt h TYR 583 N -0.83 0.64 -0.13 4.33 0.05 -1.11 -0.17 116.97 119.75 2jkt h TYR 583 Ca -0.07 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.62 2jkt h TYR 583 Cb 0.59 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.13 2jkt h TYR 583 CO -0.02 0.51 -0.14 1.25 -1.05 0.00 0.00 178.16 178.71 2jkt h LEU 584 N 0.64 0.36 -0.28 3.88 5.85 -1.08 -0.37 115.31 124.30 2jkt h LEU 584 Ca 0.16 -0.49 0.05 0.00 0.84 0.00 0.00 57.88 58.44 2jkt h LEU 584 Cb 0.14 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 2jkt h LEU 584 CO -0.01 0.77 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.73 2jkt h ARG 585 N -0.05 0.03 0.00 1.25 9.65 -0.26 -2.27 114.38 122.72 2jkt h ARG 585 Ca 0.02 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2jkt h ARG 585 Cb 0.67 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.25 2jkt h ARG 585 CO 0.03 0.02 -0.12 1.47 2.80 0.00 0.00 179.97 184.18 2jkt n LEU 586 N -5.21 0.32 0.23 3.80 -0.00 -0.12 0.01 117.00 116.03 2jkt n LEU 586 Ca -0.00 0.43 0.15 0.00 -0.00 0.00 0.00 56.01 56.58 2jkt n LEU 586 Cb 0.16 -0.40 0.55 0.00 -0.00 0.00 0.00 43.42 43.73 2jkt n LEU 586 CO 0.22 -0.03 0.93 0.77 -0.00 0.00 0.00 177.39 179.28 2jkt h SER 587 N 0.00 0.00 0.00 1.45 4.64 -0.51 -3.15 113.55 115.98 2jkt h SER 587 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 2jkt h SER 587 Cb 0.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 2jkt h SER 587 CO 0.00 0.00 -1.44 0.41 -0.87 0.00 0.00 176.83 174.93 2jkt n THR 588 N -2.87 1.50 0.06 2.95 -1.04 -0.44 -4.78 114.28 109.66 2jkt n THR 588 Ca 0.02 -0.02 -0.18 0.00 -2.04 0.00 0.00 64.05 61.82 2jkt n THR 588 Cb 0.33 -2.20 -0.09 0.00 -1.82 0.00 0.00 70.33 66.56 2jkt n THR 588 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2jkt h VAL 589 N -1.00 1.33 -3.99 12.58 2.07 -0.56 -3.47 116.25 123.20 2jkt h VAL 589 Ca -0.23 -2.38 -0.55 0.00 0.82 0.00 0.00 66.70 64.35 2jkt h VAL 589 Cb 1.16 2.47 0.13 0.00 -1.52 0.00 0.00 31.29 33.53 2jkt h VAL 589 CO -0.14 0.72 0.64 0.00 0.02 0.00 0.00 177.57 178.81 2jkt n ALA 590 N -2.62 1.75 -1.75 1.67 0.00 -1.19 -4.97 120.51 113.41 2jkt n ALA 590 Ca -0.10 0.17 -0.37 0.00 0.00 0.00 0.00 53.44 53.14 2jkt n ALA 590 Cb 0.89 -2.37 0.04 0.00 0.00 0.00 0.00 19.45 18.01 2jkt n ALA 590 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jkt s SER 591 N -0.74 5.18 0.53 0.00 0.01 -1.26 -4.80 113.70 112.62 2jkt s SER 591 Ca 0.68 2.58 0.28 0.00 1.31 0.00 0.00 55.95 60.80 2jkt s SER 591 Cb -0.43 -2.62 1.50 0.00 0.21 0.00 0.00 66.02 64.68 2jkt s SER 591 CO 0.52 -1.61 2.09 0.74 0.41 0.00 0.00 173.24 175.39 2jkt h THR 592 N 1.12 0.51 0.17 1.44 2.02 -1.98 0.19 112.91 116.39 2jkt h THR 592 Ca -0.51 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.18 2jkt h THR 592 Cb 1.30 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 2jkt h THR 592 CO 0.56 0.10 -0.08 0.44 0.37 0.00 0.00 175.52 176.91 2jkt h ASP 593 N 0.00 -0.19 -0.89 4.18 5.19 -2.00 -3.19 116.42 119.51 2jkt h ASP 593 Ca -0.00 -0.25 0.08 0.00 -0.62 0.00 0.00 57.03 56.25 2jkt h ASP 593 Cb 0.31 0.05 -0.06 0.00 0.18 0.00 0.00 39.33 39.81 2jkt h ASP 593 CO 0.01 0.37 0.58 -0.29 -3.12 0.00 0.00 179.24 176.79 2jkt h ILE 594 N -0.98 1.00 0.17 0.35 6.09 -1.81 -2.15 117.51 120.19 2jkt h ILE 594 Ca -0.02 -0.32 -0.01 0.00 -1.37 0.00 0.00 64.86 63.14 2jkt h ILE 594 Cb 0.43 -0.01 0.00 0.00 0.47 0.00 0.00 36.82 37.70 2jkt h ILE 594 CO 0.04 0.17 -0.08 0.25 -3.07 0.00 0.00 178.15 175.46 2jkt h LEU 595 N 0.94 -0.19 -2.15 2.19 6.46 -0.75 -1.33 115.31 120.47 2jkt h LEU 595 Ca 0.40 -0.07 0.06 0.00 -0.12 0.00 0.00 57.88 58.15 2jkt h LEU 595 Cb 0.33 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 2jkt h LEU 595 CO -0.17 -0.05 0.29 0.00 -0.62 0.00 0.00 178.44 177.90 2jkt h ALA 596 N 0.50 1.77 0.11 1.25 0.00 -1.38 -0.20 119.26 121.31 2jkt h ALA 596 Ca -0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 2jkt h ALA 596 Cb 0.25 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.07 2jkt h ALA 596 CO 0.04 -0.40 -0.73 1.15 0.00 0.00 0.00 179.25 179.31 2jkt h THR 597 N 0.00 1.52 -0.71 0.00 2.02 -0.96 -2.51 112.91 112.27 2jkt h THR 597 Ca 0.10 -2.46 -0.03 0.00 0.77 0.00 0.00 66.41 64.78 2jkt h THR 597 Cb 0.68 3.14 -0.03 0.00 -1.74 0.00 0.00 68.15 70.20 2jkt h THR 597 CO -0.00 0.70 0.31 0.58 0.37 0.00 0.00 175.52 177.47 2jkt h VAL 598 N -0.38 1.24 -0.88 3.16 2.07 -0.11 -2.75 116.25 118.60 2jkt h VAL 598 Ca -0.12 -0.73 -0.42 0.00 0.82 0.00 0.00 66.70 66.25 2jkt h VAL 598 Cb 1.56 0.40 -0.25 0.00 -1.52 0.00 0.00 31.29 31.48 2jkt h VAL 598 CO 0.14 0.30 0.50 0.18 0.02 0.00 0.00 177.57 178.71 2jkt n LEU 599 N -4.39 6.34 0.00 2.57 4.77 -0.22 -4.97 117.00 121.10 2jkt n LEU 599 Ca 0.06 -3.55 -0.10 0.00 -0.03 0.00 0.00 56.01 52.39 2jkt n LEU 599 Cb 0.16 -0.80 0.10 0.00 -2.33 0.00 0.00 43.42 40.55 2jkt n LEU 599 CO 0.39 1.02 0.12 -0.62 -1.33 0.00 0.00 177.39 176.97 2jkt n GLU 600 N -0.94 -1.71 -0.08 3.23 1.02 -0.95 -4.84 120.64 116.37 2jkt n GLU 600 Ca 0.53 -0.49 0.02 0.00 -0.02 0.00 0.00 57.16 57.20 2jkt n GLU 600 Cb 1.55 -0.80 0.06 0.00 -0.02 0.00 0.00 31.44 32.24 2jkt n GLU 600 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2jkt n GLU 601 N -2.19 1.36 -1.98 3.49 0.28 -1.26 -5.00 120.64 115.34 2jkt n GLU 601 Ca 0.05 -0.52 0.00 0.00 -0.16 0.00 0.00 57.16 56.53 2jkt n GLU 601 Cb 0.20 -1.15 0.00 0.00 1.43 0.00 0.00 31.44 31.92 2jkt n GLU 601 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2jkt n MET 602 N -0.07 -4.66 -0.46 3.44 2.81 -1.26 -4.96 117.12 111.97 2jkt n MET 602 Ca 0.05 3.30 -0.30 0.00 -1.81 0.00 0.00 57.70 58.94 2jkt n MET 602 Cb 0.14 -3.68 0.28 0.00 -0.71 0.00 0.00 33.22 29.25 2jkt n MET 602 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 2jkt s PRO 603 N -0.81 -2.38 0.93 0.03 0.02 -1.26 -4.99 135.00 126.54 2jkt s PRO 603 Ca 0.00 0.29 -0.12 0.00 0.02 0.00 0.00 61.00 61.19 2jkt s PRO 603 Cb 0.00 -1.43 0.15 0.00 0.02 0.00 0.00 34.50 33.24 2jkt s PRO 603 CO 0.00 -4.55 1.10 -2.14 -0.33 0.00 0.00 177.00 171.08 2jkt s PRO 604 N -4.94 0.97 -0.14 5.54 0.02 -1.26 -4.98 135.00 130.20 2jkt s PRO 604 Ca 0.69 0.63 -0.20 0.00 0.02 0.00 0.00 61.00 62.14 2jkt s PRO 604 Cb -0.16 -1.79 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 2jkt s PRO 604 CO 0.59 -2.39 0.57 -0.06 -0.33 0.00 0.00 177.00 175.38 2jkt s PHE 605 N -3.00 3.46 -0.11 6.54 0.40 -1.26 -5.01 117.98 119.00 2jkt s PHE 605 Ca 0.64 0.95 -0.31 0.00 -0.60 0.00 0.00 56.93 57.60 2jkt s PHE 605 Cb -0.18 -2.69 -0.09 0.00 0.51 0.00 0.00 43.02 40.58 2jkt s PHE 605 CO 0.57 0.01 2.04 -2.30 0.70 0.00 0.00 175.22 176.23 2jkt n PRO 606 N 4.26 2.24 -1.73 0.24 -0.02 -1.26 -4.84 135.00 133.89 2jkt n PRO 606 Ca -0.04 0.76 -0.26 0.00 -2.02 0.00 0.00 63.50 61.94 2jkt n PRO 606 Cb 0.51 -2.90 -0.08 0.00 -0.02 0.00 0.00 33.50 31.00 2jkt n PRO 606 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2jkt n GLU 607 N 7.65 0.98 -1.41 -0.52 -0.58 -1.26 -4.89 120.64 120.61 2jkt n GLU 607 Ca 0.26 -2.07 -0.47 0.00 -0.42 0.00 0.00 57.16 54.45 2jkt n GLU 607 Cb 0.36 -3.67 -0.03 0.00 -0.57 0.00 0.00 31.44 27.54 2jkt n GLU 607 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2jkt n ARG 608 N 8.10 0.10 -4.15 3.49 1.74 -1.26 -4.94 116.66 119.74 2jkt n ARG 608 Ca 0.44 0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 57.44 2jkt n ARG 608 Cb 0.46 -1.06 -0.10 0.00 -1.02 0.00 0.00 32.46 30.73 2jkt n ARG 608 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2jkt s GLU 609 N -1.04 0.77 0.42 5.56 -1.05 -1.26 -5.12 118.70 116.98 2jkt s GLU 609 Ca 0.63 -1.19 -0.26 0.00 -0.15 0.00 0.00 54.97 54.00 2jkt s GLU 609 Cb -0.89 -0.27 -0.09 0.00 -0.44 0.00 0.00 34.13 32.44 2jkt s GLU 609 CO 0.57 0.01 1.38 -1.12 0.95 0.00 0.00 175.26 177.04 2jkt s SER 610 N -2.66 6.12 -0.04 0.83 0.01 -1.26 -5.01 113.70 111.69 2jkt s SER 610 Ca 0.06 2.81 -0.15 0.00 1.31 0.00 0.00 55.95 59.98 2jkt s SER 610 Cb 0.01 -2.65 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 2jkt s SER 610 CO -0.03 -1.00 0.41 -0.94 0.41 0.00 0.00 173.24 172.09 2jkt s SER 611 N -0.57 6.74 -0.68 2.44 1.04 -1.26 -5.05 113.70 116.36 2jkt s SER 611 Ca 0.58 0.88 -0.25 0.00 0.48 0.00 0.00 55.95 57.64 2jkt s SER 611 Cb -0.41 -2.25 0.05 0.00 0.10 0.00 0.00 66.02 63.50 2jkt s SER 611 CO 0.54 0.23 1.12 -0.63 0.98 0.00 0.00 173.24 175.48 2jkt s ILE 612 N -0.53 4.03 0.25 -1.02 1.01 -1.26 -4.90 121.20 118.78 2jkt s ILE 612 Ca 0.23 0.15 0.16 0.00 0.00 0.00 0.00 60.65 61.20 2jkt s ILE 612 Cb -0.16 -4.78 0.10 0.00 0.01 0.00 0.00 42.46 37.63 2jkt s ILE 612 CO 0.12 -1.59 1.74 -0.07 0.00 0.00 0.00 174.94 175.14 2jkt h LEU 613 N 12.12 0.00 -6.95 2.97 3.38 -1.96 -3.45 115.31 121.41 2jkt h LEU 613 Ca -0.28 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.78 2jkt h LEU 613 Cb 1.06 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.56 2jkt h LEU 613 CO 1.22 0.42 0.25 0.00 0.09 0.00 0.00 178.44 180.41 2jkt s ALA 614 N -3.76 -2.20 0.04 1.53 0.00 -1.26 -4.21 121.76 111.90 2jkt s ALA 614 Ca -0.01 2.26 0.03 0.00 0.00 0.00 0.00 51.96 54.24 2jkt s ALA 614 Cb 0.12 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 2jkt s ALA 614 CO 0.70 -0.44 -0.10 0.21 0.00 0.00 0.00 175.76 176.13 2jkt s LYS 615 N 1.60 0.68 -0.44 0.00 2.20 -1.24 -4.76 119.74 117.78 2jkt s LYS 615 Ca -0.09 -0.71 -0.27 0.00 -0.36 0.00 0.00 55.97 54.54 2jkt s LYS 615 Cb -0.05 -0.59 -0.04 0.00 -1.51 0.00 0.00 37.83 35.65 2jkt s LYS 615 CO -0.17 0.13 2.05 -1.17 -0.36 0.00 0.00 175.35 175.84 2jkt s LEU 616 N -1.27 3.40 0.00 5.43 2.96 -1.24 -3.71 118.68 124.26 2jkt s LEU 616 Ca -0.04 1.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.91 2jkt s LEU 616 Cb -0.08 -2.94 0.00 0.00 0.50 0.00 0.00 46.19 43.67 2jkt s LEU 616 CO 0.01 -2.27 0.00 0.29 -1.32 0.00 0.00 176.35 173.05 2jkt n LYS 617 N 8.87 0.00 -0.00 1.98 5.02 -1.15 -4.80 118.16 128.08 2jkt n LYS 617 Ca 0.27 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 2jkt n LYS 617 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 2jkt n LYS 617 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2jkt n LYS 618 N 0.00 0.00 -2.39 1.97 4.81 -1.26 -4.12 118.16 117.17 2jkt n LYS 618 Ca 0.00 -0.01 -0.20 0.00 -0.87 0.00 0.00 58.31 57.23 2jkt n LYS 618 Cb 0.00 -1.28 -0.01 0.00 0.02 0.00 0.00 35.03 33.76 2jkt n LYS 618 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2jkt n LYS 619 N 2.70 -1.64 -3.46 1.64 2.85 -1.26 -5.01 118.16 113.97 2jkt n LYS 619 Ca 0.00 0.98 -0.14 0.00 -1.05 0.00 0.00 58.31 58.09 2jkt n LYS 619 Cb 0.00 -5.60 -0.04 0.00 -0.65 0.00 0.00 35.03 28.74 2jkt n LYS 619 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 2jkt s LYS 620 N -5.01 1.17 0.00 -1.58 -2.85 -1.26 -5.12 119.74 105.09 2jkt s LYS 620 Ca 0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 55.97 54.81 2jkt s LYS 620 Cb -0.00 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.31 2jkt s LYS 620 CO 0.00 -0.46 0.12 0.41 0.10 0.00 0.00 175.35 175.53 2jkt n GLY 621 N 0.16 -0.91 3.66 0.59 0.00 -1.26 -2.92 105.19 104.50 2jkt n GLY 621 Ca -0.18 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2jkt n GLY 621 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkt n GLY 622 N -0.45 0.21 0.78 -0.02 0.00 -1.26 -3.59 105.19 100.85 2jkt n GLY 622 Ca 0.00 0.25 0.13 0.00 0.00 0.00 0.00 46.02 46.40 2jkt n GLY 622 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06