#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kel s GLN 2 N 0.00 4.20 -0.23 2.12 0.74 0.05 -1.54 119.66 125.00 3kel s GLN 2 Ca 0.00 0.65 -0.05 0.00 0.05 0.00 0.00 55.36 56.01 3kel s GLN 2 Cb 0.00 -3.29 -0.01 0.00 1.10 0.00 0.00 33.01 30.81 3kel s GLN 2 CO 0.00 0.51 -0.01 0.42 -0.55 0.00 0.00 175.29 175.66 3kel s ILE 3 N -0.63 3.65 -0.00 -2.34 1.01 -1.26 -1.03 121.20 120.60 3kel s ILE 3 Ca 0.28 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.57 3kel s ILE 3 Cb -0.18 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 3kel s ILE 3 CO 0.16 0.40 -0.07 -0.76 0.00 0.00 0.00 174.94 174.67 3kel s LEU 4 N 1.49 3.15 -0.13 2.97 1.43 -0.49 -0.50 118.68 126.60 3kel s LEU 4 Ca 0.06 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 3kel s LEU 4 Cb -0.14 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 3kel s LEU 4 CO -0.01 0.29 -0.17 -0.76 0.23 0.00 0.00 176.35 175.93 3kel s LEU 5 N -1.37 2.47 0.53 1.79 1.43 -0.46 -0.84 118.68 122.24 3kel s LEU 5 Ca 0.17 -0.43 -0.20 0.00 -1.03 0.00 0.00 54.13 52.63 3kel s LEU 5 Cb -0.11 -1.54 -0.06 0.00 0.03 0.00 0.00 46.19 44.51 3kel s LEU 5 CO 0.07 0.14 1.17 0.00 0.23 0.00 0.00 176.35 177.96 3kel s ALA 6 N 0.49 2.74 -0.11 4.21 0.00 -0.46 -1.16 121.76 127.47 3kel s ALA 6 Ca -0.11 0.93 -0.04 0.00 0.00 0.00 0.00 51.96 52.74 3kel s ALA 6 Cb -0.16 -3.40 0.06 0.00 0.00 0.00 0.00 23.12 19.61 3kel s ALA 6 CO 0.05 -0.87 0.16 1.21 0.00 0.00 0.00 175.76 176.31 3kel s ASN 7 N -1.57 1.00 0.76 0.00 2.47 -1.26 -4.08 114.94 112.25 3kel s ASN 7 Ca 0.72 0.16 -0.12 0.00 0.42 0.00 0.00 52.86 54.04 3kel s ASN 7 Cb -0.28 0.24 0.05 0.00 -1.45 0.00 0.00 41.25 39.81 3kel s ASN 7 CO 0.32 -0.27 1.13 -2.16 -3.72 0.00 0.00 177.10 172.39 3kel s PRO 8 N 2.28 2.42 0.21 0.43 0.04 -1.26 -4.11 135.00 135.02 3kel s PRO 8 Ca 0.04 0.35 -0.17 0.00 0.04 0.00 0.00 61.00 61.26 3kel s PRO 8 Cb -0.13 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.45 3kel s PRO 8 CO -0.07 -1.32 0.53 -0.98 0.04 0.00 0.00 177.00 175.20 3kel s ARG 9 N -5.41 1.42 2.56 4.56 1.70 -1.26 -4.59 118.95 117.93 3kel s ARG 9 Ca 0.60 -0.92 0.00 0.00 -0.47 0.00 0.00 55.73 54.94 3kel s ARG 9 Cb -0.11 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 3kel s ARG 9 CO 0.51 -0.60 0.00 0.41 -1.08 0.00 0.00 175.30 174.54 3kel n GLY 10 N -0.35 -0.37 2.98 3.88 0.00 -0.21 -4.92 105.19 106.21 3kel n GLY 10 Ca -0.09 -1.08 -0.51 0.00 0.00 0.00 0.00 46.02 44.35 3kel n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kel n PHE 11 N 0.00 0.66 -3.35 1.61 3.01 -1.23 -3.88 117.46 114.28 3kel n PHE 11 Ca 0.00 0.90 -0.21 0.00 1.01 0.00 0.00 57.45 59.16 3kel n PHE 11 Cb 0.00 -1.78 0.01 0.00 -0.01 0.00 0.00 39.48 37.70 3kel n PHE 11 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kel h ALA 13 N 0.66 1.07 -0.43 0.00 0.00 -1.94 -2.52 119.26 116.11 3kel h ALA 13 Ca -0.37 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.11 3kel h ALA 13 Cb 1.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3kel h ALA 13 CO 0.50 0.58 -0.31 0.78 0.00 0.00 0.00 179.25 180.80 3kel h GLY 14 N 0.97 1.06 0.78 0.00 0.00 -1.94 -2.40 103.07 101.53 3kel h GLY 14 Ca 0.14 -1.02 -0.03 0.00 0.00 0.00 0.00 47.33 46.42 3kel h GLY 14 CO 0.02 0.92 -0.02 -2.08 0.00 0.00 0.00 176.54 175.39 3kel h VAL 15 N 0.81 1.27 -0.93 4.60 2.07 -1.84 -1.09 116.25 121.14 3kel h VAL 15 Ca 0.08 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.74 3kel h VAL 15 Cb 0.90 1.57 -0.06 0.00 -1.52 0.00 0.00 31.29 32.18 3kel h VAL 15 CO 0.08 0.27 0.61 -0.78 0.02 0.00 0.00 177.57 177.77 3kel h ASP 16 N 0.01 0.97 -0.00 0.57 3.58 -1.46 -0.87 116.42 119.21 3kel h ASP 16 Ca 0.04 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 3kel h ASP 16 Cb 0.42 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.26 3kel h ASP 16 CO 0.01 0.63 -0.00 -0.09 -2.88 0.00 0.00 179.24 176.91 3kel h ARG 17 N 1.10 0.00 -0.53 0.28 2.43 -1.34 -2.42 114.38 113.92 3kel h ARG 17 Ca 0.39 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.62 3kel h ARG 17 Cb 0.13 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 3kel h ARG 17 CO -0.14 0.40 0.23 0.00 -1.51 0.00 0.00 179.97 178.95 3kel h ALA 18 N 0.60 0.67 -0.47 2.80 0.00 -0.68 0.02 119.26 122.20 3kel h ALA 18 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3kel h ALA 18 Cb 0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3kel h ALA 18 CO 0.00 -0.15 0.18 0.82 0.00 0.00 0.00 179.25 180.10 3kel h ILE 19 N 0.44 1.21 -0.21 0.00 5.03 -1.22 -2.53 117.51 120.23 3kel h ILE 19 Ca 0.24 -0.67 -0.02 0.00 -0.12 0.00 0.00 64.86 64.29 3kel h ILE 19 Cb 0.22 0.78 -0.01 0.00 -3.03 0.00 0.00 36.82 34.77 3kel h ILE 19 CO -0.21 0.25 0.02 0.28 -0.68 0.00 0.00 178.15 177.80 3kel h SER 20 N 0.61 0.27 -0.43 1.72 0.02 -0.88 -0.52 113.55 114.33 3kel h SER 20 Ca 0.15 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 3kel h SER 20 Cb 0.21 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3kel h SER 20 CO -0.01 0.31 0.14 0.40 -1.14 0.00 0.00 176.83 176.52 3kel h ILE 21 N 0.29 1.22 -0.24 3.27 5.03 -0.60 0.24 117.51 126.72 3kel h ILE 21 Ca 0.07 -0.73 -0.07 0.00 -0.12 0.00 0.00 64.86 64.01 3kel h ILE 21 Cb 0.17 0.88 -0.01 0.00 -3.03 0.00 0.00 36.82 34.83 3kel h ILE 21 CO 0.00 0.26 -0.12 0.58 -0.68 0.00 0.00 178.15 178.19 3kel h VAL 22 N 0.56 1.30 -0.28 1.67 2.07 -1.11 -1.53 116.25 118.94 3kel h VAL 22 Ca 0.14 -1.21 0.02 0.00 0.82 0.00 0.00 66.70 66.47 3kel h VAL 22 Cb 0.26 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3kel h VAL 22 CO -0.00 0.37 0.15 -0.33 0.02 0.00 0.00 177.57 177.77 3kel h GLU 23 N 0.22 0.30 -0.69 1.57 5.08 -1.01 -1.46 114.58 118.58 3kel h GLU 23 Ca 0.05 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3kel h GLU 23 Cb 0.63 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 3kel h GLU 23 CO 0.04 0.20 0.20 -0.91 -1.00 0.00 0.00 179.01 177.53 3kel h ASN 24 N 0.30 1.00 -0.63 1.42 4.21 -0.92 -1.42 115.58 119.54 3kel h ASN 24 Ca 0.11 -0.19 -0.04 0.00 1.21 0.00 0.00 56.30 57.40 3kel h ASN 24 Cb 0.02 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 36.93 3kel h ASN 24 CO -0.07 0.94 0.25 0.00 -1.29 0.00 0.00 177.43 177.26 3kel h ALA 25 N 1.19 0.82 -0.78 -0.83 0.00 -0.98 0.64 119.26 119.31 3kel h ALA 25 Ca 0.22 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3kel h ALA 25 Cb 0.31 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3kel h ALA 25 CO -0.01 0.44 0.30 -0.07 0.00 0.00 0.00 179.25 179.91 3kel h LEU 26 N 0.88 1.09 -0.36 0.00 3.38 -0.97 0.13 115.31 119.45 3kel h LEU 26 Ca 0.21 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 3kel h LEU 26 Cb 0.21 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3kel h LEU 26 CO -0.02 0.97 -0.27 0.00 0.09 0.00 0.00 178.44 179.21 3kel h ALA 27 N 1.18 0.52 -0.01 1.53 0.00 -0.83 0.36 119.26 122.01 3kel h ALA 27 Ca 0.26 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3kel h ALA 27 Cb 0.23 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.91 3kel h ALA 27 CO -0.02 0.53 -0.32 0.82 0.00 0.00 0.00 179.25 180.26 3kel h ILE 28 N 0.62 1.50 0.00 0.00 2.04 -0.72 -3.38 117.51 117.58 3kel h ILE 28 Ca 0.07 -1.92 0.00 0.00 1.00 0.00 0.00 64.86 64.01 3kel h ILE 28 Cb 0.84 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.57 3kel h ILE 28 CO 0.07 0.54 -0.89 -1.22 0.00 0.00 0.00 178.15 176.64 3kel n TYR 29 N -4.44 0.00 -0.36 1.37 4.01 0.43 -5.09 117.16 113.08 3kel n TYR 29 Ca -0.10 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.69 3kel n TYR 29 Cb 0.53 -0.05 -0.01 0.00 -0.31 0.00 0.00 39.34 39.50 3kel n TYR 29 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kel n GLY 30 N 1.41 -1.60 3.84 2.72 0.00 0.13 -4.88 105.19 106.81 3kel n GLY 30 Ca 0.02 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 3kel n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kel s ALA 31 N -1.55 3.14 0.41 4.61 0.00 -1.26 -4.41 121.76 122.69 3kel s ALA 31 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.16 3kel s ALA 31 Cb 0.00 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 3kel s ALA 31 CO 0.00 0.03 0.61 -1.25 0.00 0.00 0.00 175.76 175.15 3kel s PRO 32 N -3.52 3.20 -0.10 0.00 0.04 -1.26 -5.13 135.00 128.22 3kel s PRO 32 Ca 0.58 -0.50 -0.01 0.00 0.04 0.00 0.00 61.00 61.12 3kel s PRO 32 Cb -0.10 -2.62 0.02 0.00 0.04 0.00 0.00 34.50 31.85 3kel s PRO 32 CO 0.22 -0.11 -0.06 0.42 0.04 0.00 0.00 177.00 177.51 3kel s ILE 33 N -2.44 0.86 0.19 0.56 -1.09 -0.82 -4.73 121.20 113.73 3kel s ILE 33 Ca 0.45 -0.19 -0.19 0.00 -2.23 0.00 0.00 60.65 58.49 3kel s ILE 33 Cb -0.10 -0.91 -0.08 0.00 -1.58 0.00 0.00 42.46 39.79 3kel s ILE 33 CO 0.37 0.34 0.69 -0.31 -1.23 0.00 0.00 174.94 174.79 3kel s TYR 34 N 1.71 3.67 -0.06 3.97 1.51 -0.48 -0.72 117.35 126.96 3kel s TYR 34 Ca 0.04 1.34 -0.00 0.00 -1.01 0.00 0.00 57.07 57.44 3kel s TYR 34 Cb -0.13 -2.58 0.03 0.00 -0.11 0.00 0.00 41.96 39.17 3kel s TYR 34 CO -0.07 0.38 -0.02 0.08 -1.11 0.00 0.00 175.55 174.81 3kel s VAL 35 N -1.46 0.48 -0.45 0.71 1.01 -0.22 -0.78 120.40 119.69 3kel s VAL 35 Ca 0.41 -0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.09 3kel s VAL 35 Cb -0.17 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.66 3kel s VAL 35 CO 0.21 0.25 1.28 -0.60 0.00 0.00 0.00 175.10 176.24 3kel s ARG 36 N 1.50 3.63 0.13 2.72 3.52 0.00 -1.43 118.95 129.02 3kel s ARG 36 Ca -0.02 0.73 0.00 0.00 -0.13 0.00 0.00 55.73 56.31 3kel s ARG 36 Cb -0.13 -3.97 0.00 0.00 -1.56 0.00 0.00 34.95 29.29 3kel s ARG 36 CO -0.03 -1.50 0.00 1.58 -0.81 0.00 0.00 175.30 174.54 3kel n HIS 37 N 8.38 -0.85 -1.60 5.12 -0.00 0.24 -2.78 115.22 123.72 3kel n HIS 37 Ca 0.14 0.47 -0.52 0.00 -0.00 0.00 0.00 57.72 57.81 3kel n HIS 37 Cb 0.49 -0.94 -0.06 0.00 -0.00 0.00 0.00 29.99 29.48 3kel n HIS 37 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3kel n GLU 38 N -2.12 1.21 -0.25 1.57 1.02 -1.26 -4.63 120.64 116.18 3kel n GLU 38 Ca -0.01 0.44 0.05 0.00 -0.02 0.00 0.00 57.16 57.61 3kel n GLU 38 Cb 0.12 -2.09 0.18 0.00 -0.02 0.00 0.00 31.44 29.63 3kel n GLU 38 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3kel h VAL 39 N 3.46 0.67 -4.13 2.62 3.04 -1.92 -3.42 116.25 116.57 3kel h VAL 39 Ca -0.47 -0.15 -0.13 0.00 -1.01 0.00 0.00 66.70 64.93 3kel h VAL 39 Cb 1.33 0.19 -0.17 0.00 -2.01 0.00 0.00 31.29 30.63 3kel h VAL 39 CO 0.79 0.08 -0.66 0.68 -1.01 0.00 0.00 177.57 177.45 3kel s VAL 40 N -6.03 0.18 -1.42 1.51 -7.23 -1.26 -2.05 120.40 104.10 3kel s VAL 40 Ca -0.12 -1.52 -0.12 0.00 -1.81 0.00 0.00 61.98 58.41 3kel s VAL 40 Cb 0.20 -1.16 0.06 0.00 0.56 0.00 0.00 36.38 36.04 3kel s VAL 40 CO 0.76 -0.84 2.22 1.41 -0.31 0.00 0.00 175.10 178.35 3kel n HIS 41 N 0.52 3.21 -3.63 2.82 -0.00 -1.26 -4.80 115.22 112.08 3kel n HIS 41 Ca -0.17 -2.93 -0.17 0.00 -0.00 0.00 0.00 57.72 54.45 3kel n HIS 41 Cb 0.59 -2.36 -0.15 0.00 -0.00 0.00 0.00 29.99 28.08 3kel n HIS 41 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3kel s ASN 42 N 2.34 0.91 0.22 0.41 3.84 -1.26 -4.10 114.94 117.29 3kel s ASN 42 Ca 0.48 0.21 -0.08 0.00 0.21 0.00 0.00 52.86 53.67 3kel s ASN 42 Cb 0.14 0.32 0.31 0.00 -0.55 0.00 0.00 41.25 41.47 3kel s ASN 42 CO -0.06 -0.27 1.75 -0.09 -2.79 0.00 0.00 177.10 175.64 3kel h ARG 43 N 8.35 0.42 -0.22 0.43 2.43 -1.94 -0.90 114.38 122.95 3kel h ARG 43 Ca -0.14 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 3kel h ARG 43 Cb 1.12 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 3kel h ARG 43 CO 0.18 0.28 0.07 -0.92 -1.51 0.00 0.00 179.97 178.07 3kel h TYR 44 N 0.44 0.13 -0.21 2.20 3.20 -1.96 0.19 116.97 120.96 3kel h TYR 44 Ca 0.33 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.18 3kel h TYR 44 Cb 0.41 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3kel h TYR 44 CO -0.16 0.06 0.03 0.28 -1.64 0.00 0.00 178.16 176.73 3kel h VAL 45 N 0.17 1.23 -0.26 1.81 2.07 -1.84 -2.51 116.25 116.93 3kel h VAL 45 Ca 0.09 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3kel h VAL 45 Cb 0.06 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3kel h VAL 45 CO -0.10 0.24 0.09 0.58 0.02 0.00 0.00 177.57 178.39 3kel h VAL 46 N 0.14 1.19 -0.32 2.57 2.07 -0.99 -1.42 116.25 119.49 3kel h VAL 46 Ca 0.06 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.02 3kel h VAL 46 Cb 0.33 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3kel h VAL 46 CO 0.00 0.20 0.12 0.44 0.02 0.00 0.00 177.57 178.35 3kel h ASP 47 N 0.25 0.14 -0.31 0.57 3.45 -0.65 0.22 116.42 120.09 3kel h ASP 47 Ca 0.08 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.58 3kel h ASP 47 Cb 0.22 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 38.99 3kel h ASP 47 CO -0.00 0.12 0.20 -1.28 -1.57 0.00 0.00 179.24 176.71 3kel h SER 48 N 0.27 0.36 -0.67 6.45 0.87 -1.34 -1.26 113.55 118.24 3kel h SER 48 Ca 0.14 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.62 3kel h SER 48 Cb 0.10 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 3kel h SER 48 CO -0.14 0.28 0.18 -0.07 -0.53 0.00 0.00 176.83 176.55 3kel h LEU 49 N 0.42 1.01 -1.08 2.23 3.38 -0.98 -1.59 115.31 118.70 3kel h LEU 49 Ca 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3kel h LEU 49 Cb -0.03 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 3kel h LEU 49 CO -0.02 0.96 0.40 -0.09 0.09 0.00 0.00 178.44 179.77 3kel h ARG 50 N 1.02 1.04 0.00 1.13 2.43 -0.64 -0.16 114.38 119.21 3kel h ARG 50 Ca 0.22 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 3kel h ARG 50 Cb 0.33 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3kel h ARG 50 CO -0.00 0.77 -0.33 1.49 -1.51 0.00 0.00 179.97 180.38 3kel h GLU 51 N 1.04 0.00 -0.00 0.20 4.22 -0.79 -2.71 114.58 116.54 3kel h GLU 51 Ca 0.26 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.70 3kel h GLU 51 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3kel h GLU 51 CO -0.04 0.33 -0.09 0.54 -2.18 0.00 0.00 179.01 177.57 3kel n ARG 52 N -3.68 0.63 0.00 1.92 5.12 -0.17 -4.90 116.66 115.58 3kel n ARG 52 Ca -0.01 -0.18 0.00 0.00 -1.93 0.00 0.00 57.85 55.73 3kel n ARG 52 Cb 0.44 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 3kel n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kel n GLY 53 N 1.28 1.00 3.77 -0.13 0.00 -0.86 -4.75 105.19 105.51 3kel n GLY 53 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3kel n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kel s ALA 54 N -2.00 3.46 -0.20 4.61 0.00 -0.60 -1.95 121.76 125.08 3kel s ALA 54 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 3kel s ALA 54 Cb 0.00 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.26 3kel s ALA 54 CO 0.00 0.22 -0.12 0.42 0.00 0.00 0.00 175.76 176.28 3kel s ILE 55 N -0.63 2.69 -0.27 0.00 1.01 0.10 -4.11 121.20 120.00 3kel s ILE 55 Ca 0.34 -0.74 -0.15 0.00 0.00 0.00 0.00 60.65 60.10 3kel s ILE 55 Cb -0.21 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 3kel s ILE 55 CO 0.22 0.47 0.40 -0.36 0.00 0.00 0.00 174.94 175.67 3kel s PHE 56 N 1.38 3.25 0.26 3.97 0.40 -1.26 -1.06 117.98 124.92 3kel s PHE 56 Ca 0.05 0.45 0.09 0.00 -0.60 0.00 0.00 56.93 56.92 3kel s PHE 56 Cb -0.14 -2.59 -0.05 0.00 0.51 0.00 0.00 43.02 40.74 3kel s PHE 56 CO -0.08 -0.24 -0.13 0.96 0.70 0.00 0.00 175.22 176.43 3kel s ILE 57 N 2.10 1.97 -0.19 0.64 -5.25 -0.51 -4.87 121.20 115.09 3kel s ILE 57 Ca 0.16 -2.24 0.09 0.00 -0.99 0.00 0.00 60.65 57.67 3kel s ILE 57 Cb -0.16 -2.30 -0.17 0.00 2.95 0.00 0.00 42.46 42.78 3kel s ILE 57 CO 0.10 -0.42 -0.06 -0.62 -1.79 0.00 0.00 174.94 172.16 3kel n GLU 58 N -0.55 0.95 -4.73 0.37 -0.58 -1.26 0.80 120.64 115.64 3kel n GLU 58 Ca -0.06 0.05 -0.31 0.00 -0.42 0.00 0.00 57.16 56.42 3kel n GLU 58 Cb 0.61 -1.42 -0.13 0.00 -0.57 0.00 0.00 31.44 29.93 3kel n GLU 58 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3kel s GLN 59 N -2.41 2.17 0.53 3.49 -0.21 -1.26 -4.80 119.66 117.16 3kel s GLN 59 Ca -0.18 -0.92 0.22 0.00 0.02 0.00 0.00 55.36 54.50 3kel s GLN 59 Cb 0.06 -2.22 1.42 0.00 1.00 0.00 0.00 33.01 33.26 3kel s GLN 59 CO 0.59 0.56 2.14 0.82 -2.12 0.00 0.00 175.29 177.28 3kel h ILE 60 N 4.03 0.82 0.00 1.08 1.08 -1.95 -0.74 117.51 121.83 3kel h ILE 60 Ca -0.47 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 63.80 3kel h ILE 60 Cb 1.15 1.11 0.00 0.00 -3.07 0.00 0.00 36.82 36.02 3kel h ILE 60 CO 0.48 0.05 0.00 -1.54 -0.69 0.00 0.00 178.15 176.46 3kel n SER 61 N -4.15 0.00 0.01 1.72 3.41 -1.26 -1.00 113.62 112.35 3kel n SER 61 Ca -0.03 -0.61 0.11 0.00 -0.26 0.00 0.00 58.87 58.08 3kel n SER 61 Cb 0.14 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 3kel n SER 61 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kel n GLU 62 N -0.88 0.30 -3.55 4.33 1.02 -0.28 -4.92 120.64 116.65 3kel n GLU 62 Ca 0.09 -0.05 -0.37 0.00 -0.02 0.00 0.00 57.16 56.81 3kel n GLU 62 Cb 0.04 -1.55 -0.07 0.00 -0.02 0.00 0.00 31.44 29.84 3kel n GLU 62 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kel s VAL 63 N -3.22 5.28 0.58 2.62 1.01 -0.17 -5.08 120.40 121.41 3kel s VAL 63 Ca 0.02 0.58 -0.16 0.00 0.00 0.00 0.00 61.98 62.42 3kel s VAL 63 Cb 0.15 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 3kel s VAL 63 CO 0.85 0.44 1.05 -2.84 0.00 0.00 0.00 175.10 174.60 3kel s PRO 64 N 0.09 3.40 0.83 2.72 0.02 -1.26 -5.02 135.00 135.78 3kel s PRO 64 Ca 0.18 1.23 -0.12 0.00 0.02 0.00 0.00 61.00 62.31 3kel s PRO 64 Cb -0.14 -2.04 0.10 0.00 0.02 0.00 0.00 34.50 32.44 3kel s PRO 64 CO 0.06 -0.75 1.16 -0.51 -0.33 0.00 0.00 177.00 176.63 3kel s ASP 65 N -2.67 3.55 0.00 2.53 1.11 -1.26 -2.74 116.67 117.19 3kel s ASP 65 Ca 0.64 2.20 0.00 0.00 0.18 0.00 0.00 52.55 55.57 3kel s ASP 65 Cb -0.16 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.26 3kel s ASP 65 CO 0.34 -2.69 0.00 0.61 1.18 0.00 0.00 175.17 174.62 3kel n GLY 66 N 0.08 0.64 3.92 0.21 0.00 0.21 -4.98 105.19 105.26 3kel n GLY 66 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3kel n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kel s ALA 67 N -2.42 2.64 -0.16 4.61 0.00 -1.11 -4.80 121.76 120.53 3kel s ALA 67 Ca 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.05 3kel s ALA 67 Cb 0.00 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 3kel s ALA 67 CO 0.00 -1.82 -0.02 0.42 0.00 0.00 0.00 175.76 174.34 3kel s ILE 68 N -3.60 4.06 -0.03 0.00 1.01 -1.26 -1.44 121.20 119.93 3kel s ILE 68 Ca 0.65 -0.30 0.05 0.00 0.00 0.00 0.00 60.65 61.05 3kel s ILE 68 Cb -0.09 -2.78 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 3kel s ILE 68 CO 0.49 0.49 -0.18 -0.22 0.00 0.00 0.00 174.94 175.53 3kel s LEU 69 N 0.29 1.98 -0.09 2.97 2.96 0.62 -1.38 118.68 126.03 3kel s LEU 69 Ca -0.02 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 3kel s LEU 69 Cb -0.14 -0.97 0.01 0.00 0.50 0.00 0.00 46.19 45.60 3kel s LEU 69 CO 0.02 0.19 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.48 3kel s ILE 70 N -0.20 1.30 0.20 6.68 1.01 0.04 -0.58 121.20 129.64 3kel s ILE 70 Ca 0.02 -0.55 -0.30 0.00 0.00 0.00 0.00 60.65 59.82 3kel s ILE 70 Cb -0.09 -1.19 -0.08 0.00 0.01 0.00 0.00 42.46 41.11 3kel s ILE 70 CO 0.01 0.40 1.00 -0.36 0.00 0.00 0.00 174.94 175.98 3kel s PHE 71 N 0.85 3.81 1.04 3.97 2.99 -0.74 -0.82 117.98 129.08 3kel s PHE 71 Ca -0.10 1.79 -0.12 0.00 0.00 0.00 0.00 56.93 58.50 3kel s PHE 71 Cb -0.15 -3.10 0.21 0.00 0.00 0.00 0.00 43.02 39.98 3kel s PHE 71 CO 0.01 0.04 1.08 -1.54 -0.00 0.00 0.00 175.22 174.81 3kel s SER 72 N -0.63 2.20 0.56 1.36 1.04 -1.12 -1.60 113.70 115.51 3kel s SER 72 Ca 0.45 1.30 0.25 0.00 0.48 0.00 0.00 55.95 58.43 3kel s SER 72 Cb -0.27 -2.00 1.56 0.00 0.10 0.00 0.00 66.02 65.42 3kel s SER 72 CO 0.33 -3.41 2.13 0.00 0.98 0.00 0.00 173.24 173.27 3kel h ALA 73 N -2.08 1.89 0.00 5.32 0.00 -1.51 -2.46 119.26 120.42 3kel h ALA 73 Ca -0.56 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3kel h ALA 73 Cb 1.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3kel h ALA 73 CO 0.55 -0.21 0.00 0.45 0.00 0.00 0.00 179.25 180.04 3kel h HIS 74 N 0.00 0.00 0.00 0.00 3.86 -1.86 -1.54 115.15 115.60 3kel h HIS 74 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3kel h HIS 74 Cb 0.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.81 3kel h HIS 74 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 3kel n GLY 75 N -0.06 0.04 3.13 2.45 0.00 -0.93 -4.13 105.19 105.69 3kel n GLY 75 Ca 0.01 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 3kel n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kel s VAL 76 N -2.40 0.36 0.88 1.61 -7.23 -1.26 -4.67 120.40 107.69 3kel s VAL 76 Ca 0.00 -1.87 -0.12 0.00 -1.81 0.00 0.00 61.98 58.18 3kel s VAL 76 Cb 0.00 -1.71 0.12 0.00 0.56 0.00 0.00 36.38 35.35 3kel s VAL 76 CO 0.00 -0.83 1.10 -0.94 -0.31 0.00 0.00 175.10 174.12 3kel s SER 77 N -3.00 3.72 0.33 4.85 1.04 -1.26 -4.75 113.70 114.63 3kel s SER 77 Ca 0.13 1.28 0.09 0.00 0.48 0.00 0.00 55.95 57.93 3kel s SER 77 Cb 0.07 -1.96 0.58 0.00 0.10 0.00 0.00 66.02 64.81 3kel s SER 77 CO -0.05 -2.46 1.76 1.56 0.98 0.00 0.00 173.24 175.03 3kel h GLN 78 N -1.43 0.14 -0.23 4.02 1.08 -1.70 -1.11 115.11 115.88 3kel h GLN 78 Ca -0.50 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 56.63 3kel h GLN 78 Cb 1.29 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.71 3kel h GLN 78 CO 0.58 0.50 0.10 0.00 -0.95 0.00 0.00 178.83 179.06 3kel h ALA 79 N 1.50 0.30 -0.33 3.87 0.00 -1.92 0.12 119.26 122.80 3kel h ALA 79 Ca 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3kel h ALA 79 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3kel h ALA 79 CO 0.05 -0.11 0.09 0.28 0.00 0.00 0.00 179.25 179.57 3kel h VAL 80 N 0.23 1.21 -0.53 0.00 2.07 -1.87 -0.78 116.25 116.58 3kel h VAL 80 Ca 0.08 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.92 3kel h VAL 80 Cb 0.16 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3kel h VAL 80 CO -0.01 0.23 0.33 -0.09 0.02 0.00 0.00 177.57 178.06 3kel h ARG 81 N 0.37 0.65 -0.13 1.57 2.43 -0.98 -0.80 114.38 117.49 3kel h ARG 81 Ca 0.10 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.10 3kel h ARG 81 Cb 0.27 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3kel h ARG 81 CO -0.00 0.43 -0.50 -0.91 -1.51 0.00 0.00 179.97 177.48 3kel h ASN 82 N 0.67 0.38 -0.16 -3.80 2.35 -0.67 -0.76 115.58 113.59 3kel h ASN 82 Ca 0.21 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 3kel h ASN 82 Cb -0.02 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3kel h ASN 82 CO -0.07 0.82 -0.06 -0.08 -1.65 0.00 0.00 177.43 176.38 3kel h GLU 83 N 0.28 0.48 -0.12 0.81 4.81 -0.68 0.35 114.58 120.50 3kel h GLU 83 Ca 0.01 -0.11 -0.18 0.00 -0.13 0.00 0.00 59.36 58.95 3kel h GLU 83 Cb 0.98 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 3kel h GLU 83 CO 0.08 0.55 -0.66 0.00 -0.73 0.00 0.00 179.01 178.25 3kel h ALA 84 N 1.49 0.61 -0.31 2.92 0.00 -0.74 -2.68 119.26 120.55 3kel h ALA 84 Ca 0.09 -0.57 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 3kel h ALA 84 Cb 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3kel h ALA 84 CO 0.02 0.73 -0.44 0.87 0.00 0.00 0.00 179.25 180.43 3kel h LYS 85 N 0.36 0.80 -0.23 0.00 1.57 -0.35 -3.16 116.57 115.55 3kel h LYS 85 Ca -0.02 -0.44 -0.13 0.00 -1.87 0.00 0.00 60.65 58.19 3kel h LYS 85 Cb 1.23 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 3kel h LYS 85 CO 0.12 1.07 -0.40 0.66 -0.57 0.00 0.00 179.45 180.33 3kel h SER 86 N 0.64 0.57 -4.26 0.86 4.64 -0.96 -3.45 113.55 111.58 3kel h SER 86 Ca 0.04 -0.25 -0.50 0.00 -0.47 0.00 0.00 61.79 60.61 3kel h SER 86 Cb 1.01 -0.16 0.12 0.00 -0.31 0.00 0.00 62.40 63.06 3kel h SER 86 CO 0.10 0.90 0.32 -0.13 -0.87 0.00 0.00 176.83 177.15 3kel s ARG 87 N -4.25 2.17 -1.21 4.77 1.81 -1.01 -4.94 118.95 116.30 3kel s ARG 87 Ca -0.07 0.96 -0.18 0.00 -1.72 0.00 0.00 55.73 54.72 3kel s ARG 87 Cb 0.12 -1.90 0.10 0.00 -0.45 0.00 0.00 34.95 32.82 3kel s ARG 87 CO 0.82 -1.65 1.58 0.34 -0.68 0.00 0.00 175.30 175.71 3kel s ASP 88 N -3.57 6.83 0.01 0.23 3.68 -1.26 -4.92 116.67 117.67 3kel s ASP 88 Ca 0.61 -2.41 -0.07 0.00 2.13 0.00 0.00 52.55 52.82 3kel s ASP 88 Cb -0.16 -2.52 -0.00 0.00 -1.45 0.00 0.00 42.92 38.78 3kel s ASP 88 CO 0.56 -1.11 0.12 -0.76 0.13 0.00 0.00 175.17 174.11 3kel s LEU 89 N 3.58 1.64 -0.29 -1.34 1.43 -1.26 0.64 118.68 123.08 3kel s LEU 89 Ca 0.49 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 53.16 3kel s LEU 89 Cb 0.01 0.63 -0.04 0.00 0.03 0.00 0.00 46.19 46.83 3kel s LEU 89 CO 0.02 -0.40 0.30 -0.89 0.23 0.00 0.00 176.35 175.61 3kel s THR 90 N -1.66 5.23 -0.07 5.49 2.01 -0.52 -4.98 115.64 121.14 3kel s THR 90 Ca -0.13 0.33 0.01 0.00 0.31 0.00 0.00 61.69 62.21 3kel s THR 90 Cb -0.06 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 3kel s THR 90 CO 0.00 0.15 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.31 3kel s VAL 91 N 1.94 3.54 0.06 3.82 1.01 -1.26 -0.28 120.40 129.23 3kel s VAL 91 Ca 0.11 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.62 3kel s VAL 91 Cb -0.16 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3kel s VAL 91 CO 0.11 0.59 -0.19 -0.36 0.00 0.00 0.00 175.10 175.25 3kel s PHE 92 N -0.71 1.65 -0.26 5.22 0.08 0.25 -4.97 117.98 119.25 3kel s PHE 92 Ca 0.11 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.78 3kel s PHE 92 Cb -0.11 -0.96 0.05 0.00 -0.57 0.00 0.00 43.02 41.43 3kel s PHE 92 CO 0.01 0.11 -0.09 0.34 -0.10 0.00 0.00 175.22 175.49 3kel s ASP 93 N -1.42 4.37 0.00 1.36 3.68 -1.26 -1.79 116.67 121.61 3kel s ASP 93 Ca 0.05 -1.23 0.19 0.00 2.13 0.00 0.00 52.55 53.69 3kel s ASP 93 Cb -0.09 -1.59 0.53 0.00 -1.45 0.00 0.00 42.92 40.33 3kel s ASP 93 CO 0.02 -0.18 1.45 0.00 0.13 0.00 0.00 175.17 176.59 3kel n ALA 94 N 4.51 2.40 -1.64 3.66 0.00 -0.63 -4.93 120.51 123.90 3kel n ALA 94 Ca -0.15 -1.05 -0.47 0.00 0.00 0.00 0.00 53.44 51.77 3kel n ALA 94 Cb 0.44 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 3kel n ALA 94 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kel n THR 95 N 1.27 0.64 -2.05 0.00 -1.04 -1.20 -3.80 114.28 108.09 3kel n THR 95 Ca 0.20 -0.16 -0.41 0.00 -2.04 0.00 0.00 64.05 61.64 3kel n THR 95 Cb 0.51 -1.28 -0.02 0.00 -1.82 0.00 0.00 70.33 67.72 3kel n THR 95 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kel h PRO 97 N 4.31 0.44 0.00 0.00 0.11 -1.92 0.62 132.00 135.55 3kel h PRO 97 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kel h PRO 97 Cb 1.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3kel h PRO 97 CO 0.72 0.29 0.00 1.28 -0.21 0.00 0.00 178.00 180.08 3kel n LEU 98 N -4.53 0.33 -0.06 2.35 4.77 -1.26 -1.33 117.00 117.27 3kel n LEU 98 Ca 0.19 0.57 -0.21 0.00 -0.03 0.00 0.00 56.01 56.53 3kel n LEU 98 Cb 0.67 -0.52 -0.13 0.00 -2.33 0.00 0.00 43.42 41.11 3kel n LEU 98 CO 0.30 -0.36 -0.99 0.52 -1.33 0.00 0.00 177.39 175.52 3kel n VAL 99 N -1.86 1.64 -0.29 4.08 0.31 0.14 -4.16 118.33 118.19 3kel n VAL 99 Ca 0.03 -0.52 0.02 0.00 -0.01 0.00 0.00 64.34 63.86 3kel n VAL 99 Cb 0.22 -1.70 0.16 0.00 -0.91 0.00 0.00 33.84 31.61 3kel n VAL 99 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3kel h THR 100 N -0.19 0.93 -0.90 2.52 2.02 -0.95 -0.94 112.91 115.40 3kel h THR 100 Ca -0.49 -0.28 0.13 0.00 0.77 0.00 0.00 66.41 66.55 3kel h THR 100 Cb 1.86 0.05 -0.09 0.00 -1.74 0.00 0.00 68.15 68.23 3kel h THR 100 CO -0.05 0.15 0.51 0.50 0.37 0.00 0.00 175.52 176.99 3kel h LYS 101 N 0.81 0.74 -0.26 6.66 3.64 -1.38 -0.69 116.57 126.09 3kel h LYS 101 Ca 0.39 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.61 3kel h LYS 101 Cb 0.32 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3kel h LYS 101 CO -0.23 0.49 -0.29 0.28 -2.27 0.00 0.00 179.45 177.43 3kel h VAL 102 N 0.77 1.31 -0.40 2.00 2.07 -1.37 -3.21 116.25 117.41 3kel h VAL 102 Ca 0.47 -1.46 0.08 0.00 0.82 0.00 0.00 66.70 66.61 3kel h VAL 102 Cb 0.57 1.64 -0.08 0.00 -1.52 0.00 0.00 31.29 31.91 3kel h VAL 102 CO -0.31 0.46 -0.14 0.45 0.02 0.00 0.00 177.57 178.05 3kel h HIS 103 N 0.38 -0.32 -0.62 1.57 3.86 -0.17 -1.39 115.15 118.46 3kel h HIS 103 Ca 0.04 0.04 0.11 0.00 -1.16 0.00 0.00 60.37 59.40 3kel h HIS 103 Cb 0.86 0.20 -0.04 0.00 1.06 0.00 0.00 27.41 29.49 3kel h HIS 103 CO 0.08 -0.22 0.42 0.52 0.86 0.00 0.00 177.93 179.59 3kel h MET 104 N -0.05 0.38 -0.13 2.45 2.86 -1.21 -0.26 114.93 118.96 3kel h MET 104 Ca 0.19 -0.02 -0.22 0.00 -2.06 0.00 0.00 59.70 57.59 3kel h MET 104 Cb 0.35 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.93 3kel h MET 104 CO -0.44 0.25 -0.80 0.93 1.06 0.00 0.00 176.91 177.92 3kel h GLU 105 N 0.39 0.74 -0.64 1.72 4.39 -1.28 -2.28 114.58 117.62 3kel h GLU 105 Ca 0.29 -0.62 -0.08 0.00 0.34 0.00 0.00 59.36 59.28 3kel h GLU 105 Cb 0.61 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 3kel h GLU 105 CO -0.08 1.23 0.07 0.28 -1.16 0.00 0.00 179.01 179.35 3kel h VAL 106 N 0.50 1.26 -0.72 3.13 2.07 -0.70 -2.27 116.25 119.52 3kel h VAL 106 Ca -0.06 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 3kel h VAL 106 Cb 1.42 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 3kel h VAL 106 CO 0.16 0.40 0.29 0.00 0.02 0.00 0.00 177.57 178.44 3kel h ALA 107 N 1.06 0.94 0.08 1.67 0.00 -1.06 -1.49 119.26 120.46 3kel h ALA 107 Ca 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kel h ALA 107 Cb 0.47 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kel h ALA 107 CO 0.02 0.56 -0.04 -0.09 0.00 0.00 0.00 179.25 179.70 3kel h ARG 108 N 1.04 -0.10 -0.79 0.00 2.43 -1.12 -1.45 114.38 114.39 3kel h ARG 108 Ca 0.24 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.47 3kel h ARG 108 Cb 0.20 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.73 3kel h ARG 108 CO -0.02 -0.06 0.52 0.00 -1.51 0.00 0.00 179.97 178.90 3kel h ALA 109 N 0.80 1.57 -0.39 2.80 0.00 -1.21 -1.91 119.26 120.92 3kel h ALA 109 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3kel h ALA 109 Cb 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3kel h ALA 109 CO 0.02 0.33 0.14 1.03 0.00 0.00 0.00 179.25 180.77 3kel h SER 110 N 0.92 0.56 -0.04 0.00 0.87 -0.85 -1.39 113.55 113.61 3kel h SER 110 Ca 0.32 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 3kel h SER 110 Cb 0.13 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3kel h SER 110 CO -0.10 0.60 -0.06 0.03 -0.53 0.00 0.00 176.83 176.77 3kel h ARG 111 N 0.49 0.25 -0.00 2.24 3.08 -0.57 -1.83 114.38 118.04 3kel h ARG 111 Ca 0.13 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3kel h ARG 111 Cb 0.23 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3kel h ARG 111 CO -0.01 0.33 -0.09 0.54 -1.07 0.00 0.00 179.97 179.67 3kel n ARG 112 N -4.33 0.47 -1.64 0.04 1.74 -0.79 -4.90 116.66 107.25 3kel n ARG 112 Ca -0.00 -0.11 -0.12 0.00 -0.77 0.00 0.00 57.85 56.85 3kel n ARG 112 Cb 0.22 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.12 3kel n ARG 112 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kel n GLY 113 N 1.32 0.83 3.61 -0.13 0.00 -0.69 -4.99 105.19 105.14 3kel n GLY 113 Ca 0.13 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 3kel n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kel s GLU 114 N -3.54 3.31 0.56 1.61 2.02 -0.58 -3.62 118.70 118.46 3kel s GLU 114 Ca 0.00 -0.44 -0.20 0.00 0.02 0.00 0.00 54.97 54.35 3kel s GLU 114 Cb 0.00 -2.87 -0.05 0.00 0.10 0.00 0.00 34.13 31.31 3kel s GLU 114 CO 0.00 0.51 1.25 -1.21 0.02 0.00 0.00 175.26 175.82 3kel s GLU 115 N -0.34 3.15 0.05 1.61 2.02 -1.24 -4.33 118.70 119.62 3kel s GLU 115 Ca 0.07 1.94 0.02 0.00 0.02 0.00 0.00 54.97 57.02 3kel s GLU 115 Cb -0.12 -2.11 -0.03 0.00 0.10 0.00 0.00 34.13 31.97 3kel s GLU 115 CO 0.02 -1.10 -0.07 -1.12 0.02 0.00 0.00 175.26 173.02 3kel s SER 116 N -1.36 0.84 -0.09 -0.19 0.01 -0.20 -2.84 113.70 109.88 3kel s SER 116 Ca 0.73 -0.68 0.03 0.00 1.31 0.00 0.00 55.95 57.34 3kel s SER 116 Cb -0.33 0.07 0.01 0.00 0.21 0.00 0.00 66.02 65.97 3kel s SER 116 CO 0.38 -0.30 -0.17 -0.63 0.41 0.00 0.00 173.24 172.93 3kel s ILE 117 N -2.06 1.52 -0.14 1.44 1.01 -0.28 -1.43 121.20 121.26 3kel s ILE 117 Ca -0.05 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 3kel s ILE 117 Cb -0.05 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 3kel s ILE 117 CO -0.02 0.44 0.01 -0.22 0.00 0.00 0.00 174.94 175.16 3kel s LEU 118 N 0.63 3.56 -0.34 2.97 2.96 0.11 -1.15 118.68 127.42 3kel s LEU 118 Ca -0.14 0.04 -0.14 0.00 -0.22 0.00 0.00 54.13 53.66 3kel s LEU 118 Cb -0.16 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 3kel s LEU 118 CO 0.04 0.24 0.32 -0.63 -1.32 0.00 0.00 176.35 175.01 3kel s ILE 119 N -0.07 5.20 0.03 6.68 1.09 -0.28 -1.11 121.20 132.76 3kel s ILE 119 Ca 0.04 -0.01 -0.15 0.00 -1.10 0.00 0.00 60.65 59.43 3kel s ILE 119 Cb -0.13 -3.78 0.05 0.00 -1.06 0.00 0.00 42.46 37.54 3kel s ILE 119 CO 0.02 -0.06 0.69 0.61 -0.10 0.00 0.00 174.94 176.10 3kel n GLY 120 N 4.99 0.58 3.49 6.18 0.00 -0.83 -1.07 105.19 118.54 3kel n GLY 120 Ca -0.10 -0.99 -0.36 0.00 0.00 0.00 0.00 46.02 44.56 3kel n GLY 120 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kel s HIS 121 N -2.96 3.12 0.42 1.61 3.76 -1.26 -4.11 115.29 115.87 3kel s HIS 121 Ca 0.16 -0.29 -0.24 0.00 -0.15 0.00 0.00 55.06 54.53 3kel s HIS 121 Cb -0.01 -2.24 -0.10 0.00 1.11 0.00 0.00 32.58 31.34 3kel s HIS 121 CO 0.01 -0.27 1.06 0.00 -0.85 0.00 0.00 174.74 174.69 3kel n ALA 122 N 4.78 0.39 0.00 -1.40 0.00 -1.26 -2.62 120.51 120.40 3kel n ALA 122 Ca -0.16 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3kel n ALA 122 Cb 0.52 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3kel n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kel n GLY 123 N 1.11 3.08 3.76 0.00 0.00 -1.26 -5.02 105.19 106.87 3kel n GLY 123 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3kel n GLY 123 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kel s HIS 124 N -1.62 3.10 0.35 1.61 5.04 -1.08 -4.88 115.29 117.81 3kel s HIS 124 Ca 0.00 1.39 0.07 0.00 -1.54 0.00 0.00 55.06 54.98 3kel s HIS 124 Cb 0.00 -3.66 0.76 0.00 0.04 0.00 0.00 32.58 29.73 3kel s HIS 124 CO 0.00 -1.83 1.89 -1.00 -2.34 0.00 0.00 174.74 171.46 3kel h PRO 125 N 3.71 0.73 -0.65 2.88 0.13 -1.95 -1.65 132.00 135.19 3kel h PRO 125 Ca -0.48 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.54 3kel h PRO 125 Cb 1.22 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 3kel h PRO 125 CO 0.67 0.48 0.15 1.49 -0.23 0.00 0.00 178.00 180.56 3kel h GLU 126 N 0.75 1.05 -0.52 0.86 4.81 -1.85 -1.19 114.58 118.50 3kel h GLU 126 Ca 0.42 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3kel h GLU 126 Cb 0.57 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 3kel h GLU 126 CO -0.18 0.95 0.16 0.28 -0.73 0.00 0.00 179.01 179.49 3kel h VAL 127 N 0.98 1.23 -0.66 0.32 2.07 -1.64 0.17 116.25 118.72 3kel h VAL 127 Ca 0.20 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3kel h VAL 127 Cb 0.38 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3kel h VAL 127 CO 0.00 0.29 0.38 -0.33 0.02 0.00 0.00 177.57 177.93 3kel h GLU 128 N 0.71 0.92 -0.50 1.57 5.08 -1.11 -0.31 114.58 120.94 3kel h GLU 128 Ca 0.17 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 3kel h GLU 128 Cb 0.29 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3kel h GLU 128 CO -0.00 0.68 -0.03 0.78 -1.00 0.00 0.00 179.01 179.44 3kel h GLY 129 N 0.91 0.97 0.72 -3.84 0.00 -0.90 -0.11 103.07 100.82 3kel h GLY 129 Ca 0.24 -0.74 -0.06 0.00 0.00 0.00 0.00 47.33 46.77 3kel h GLY 129 CO -0.04 0.68 -0.15 -0.84 0.00 0.00 0.00 176.54 176.19 3kel h THR 130 N 0.76 1.36 0.00 4.70 2.02 -0.80 -2.78 112.91 118.18 3kel h THR 130 Ca 0.14 -1.34 -0.05 0.00 0.77 0.00 0.00 66.41 65.93 3kel h THR 130 Cb 0.56 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 3kel h THR 130 CO 0.03 0.39 -0.23 0.24 0.37 0.00 0.00 175.52 176.32 3kel h MET 131 N -0.06 0.00 0.00 6.66 2.07 -1.08 -1.66 114.93 120.86 3kel h MET 131 Ca 0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.65 3kel h MET 131 Cb 0.69 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.42 3kel h MET 131 CO 0.04 0.23 0.00 0.41 1.07 0.00 0.00 176.91 178.66 3kel n GLY 132 N -0.61 -0.62 0.01 8.32 0.00 -0.06 -1.95 105.19 110.28 3kel n GLY 132 Ca -0.02 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.05 3kel n GLY 132 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kel n GLN 133 N -0.75 0.06 -3.89 1.61 1.13 -0.62 -2.16 117.38 112.75 3kel n GLN 133 Ca 0.07 -0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.79 3kel n GLN 133 Cb 0.03 -1.52 -0.09 0.00 0.11 0.00 0.00 30.24 28.77 3kel n GLN 133 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3kel s TYR 134 N -3.04 3.30 -0.17 1.08 5.04 -0.82 -4.12 117.35 118.62 3kel s TYR 134 Ca 0.09 0.15 0.18 0.00 -2.44 0.00 0.00 57.07 55.04 3kel s TYR 134 Cb 0.16 -2.12 0.38 0.00 0.35 0.00 0.00 41.96 40.74 3kel s TYR 134 CO 0.77 0.18 1.21 -1.13 -1.34 0.00 0.00 175.55 175.24 3kel n SER 135 N 3.60 0.31 -4.16 4.32 3.41 -1.26 -5.03 113.62 114.81 3kel n SER 135 Ca -0.16 -2.06 -0.35 0.00 -0.26 0.00 0.00 58.87 56.04 3kel n SER 135 Cb 0.52 -0.04 -0.14 0.00 -0.26 0.00 0.00 64.21 64.29 3kel n SER 135 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3kel s ASN 136 N -2.28 4.90 0.55 4.04 3.04 -1.26 -4.99 114.94 118.94 3kel s ASN 136 Ca 0.20 -1.36 0.27 0.00 0.04 0.00 0.00 52.86 52.01 3kel s ASN 136 Cb 0.32 -1.71 1.46 0.00 -1.54 0.00 0.00 41.25 39.77 3kel s ASN 136 CO -0.09 -0.28 1.99 -0.65 -3.04 0.00 0.00 177.10 175.03 3kel h PRO 137 N 7.98 0.00 -0.24 0.43 0.11 -1.97 -1.58 132.00 136.74 3kel h PRO 137 Ca -0.20 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.80 3kel h PRO 137 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3kel h PRO 137 CO 0.54 0.00 -0.30 0.93 -0.21 0.00 0.00 178.00 178.96 3kel h GLU 138 N 0.00 0.48 0.00 1.05 5.08 -1.94 -3.44 114.58 115.81 3kel h GLU 138 Ca 0.22 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3kel h GLU 138 Cb 0.99 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3kel h GLU 138 CO -0.00 0.73 0.00 0.41 -1.00 0.00 0.00 179.01 179.15 3kel n GLY 139 N -0.27 1.07 3.65 -3.84 0.00 -0.59 -4.94 105.19 100.27 3kel n GLY 139 Ca -0.01 -0.75 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 3kel n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kel s GLY 140 N 0.00 0.01 -0.21 -0.02 0.00 -1.26 -4.86 107.32 100.98 3kel s GLY 140 Ca 0.00 2.57 -0.02 0.00 0.00 0.00 0.00 44.72 47.27 3kel s GLY 140 CO 0.00 0.95 0.03 -0.29 0.00 0.00 0.00 173.10 173.80 3kel s MET 141 N -1.36 0.75 -0.03 2.90 1.75 -1.26 -1.03 119.30 121.02 3kel s MET 141 Ca 0.11 -0.55 0.04 0.00 -1.25 0.00 0.00 55.69 54.04 3kel s MET 141 Cb -0.01 -2.13 -0.03 0.00 2.84 0.00 0.00 34.83 35.50 3kel s MET 141 CO -0.06 -0.68 -0.14 0.71 -0.65 0.00 0.00 175.02 174.20 3kel s TYR 142 N 1.79 2.70 -0.17 4.11 1.51 -0.52 -5.00 117.35 121.78 3kel s TYR 142 Ca -0.00 -0.16 -0.06 0.00 -1.01 0.00 0.00 57.07 55.84 3kel s TYR 142 Cb -0.17 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 3kel s TYR 142 CO -0.10 0.23 0.04 -1.17 -1.11 0.00 0.00 175.55 173.43 3kel s LEU 143 N -0.95 3.68 -0.02 -1.29 2.96 -1.26 0.07 118.68 121.86 3kel s LEU 143 Ca 0.13 0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.13 3kel s LEU 143 Cb -0.11 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 3kel s LEU 143 CO 0.02 0.20 -0.14 0.68 -1.32 0.00 0.00 176.35 175.79 3kel s VAL 144 N 0.22 1.15 -0.11 1.68 -7.23 -0.26 -4.95 120.40 110.89 3kel s VAL 144 Ca 0.02 -0.60 0.09 0.00 -1.81 0.00 0.00 61.98 59.68 3kel s VAL 144 Cb -0.13 -0.97 -0.12 0.00 0.56 0.00 0.00 36.38 35.72 3kel s VAL 144 CO 0.01 0.33 0.23 -0.62 -0.31 0.00 0.00 175.10 174.74 3kel n GLU 145 N 2.91 1.29 -3.96 4.82 1.02 -1.26 -1.96 120.64 123.50 3kel n GLU 145 Ca -0.16 -0.06 -0.09 0.00 -0.02 0.00 0.00 57.16 56.84 3kel n GLU 145 Cb 0.54 -1.12 -0.04 0.00 -0.02 0.00 0.00 31.44 30.80 3kel n GLU 145 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3kel s SER 146 N -2.68 -0.10 0.37 1.62 1.04 -1.26 -4.88 113.70 107.81 3kel s SER 146 Ca -0.02 -0.88 0.06 0.00 0.48 0.00 0.00 55.95 55.59 3kel s SER 146 Cb 0.06 0.63 0.75 0.00 0.10 0.00 0.00 66.02 67.56 3kel s SER 146 CO 0.35 -1.21 1.99 -0.65 0.98 0.00 0.00 173.24 174.71 3kel h PRO 147 N 2.18 0.70 -0.84 4.02 0.11 -1.90 -1.05 132.00 135.23 3kel h PRO 147 Ca -0.25 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.87 3kel h PRO 147 Cb 1.25 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 3kel h PRO 147 CO 0.33 0.46 0.53 -0.44 -0.21 0.00 0.00 178.00 178.67 3kel h ASP 148 N 0.72 0.86 -0.82 -2.05 3.32 -1.99 0.10 116.42 116.56 3kel h ASP 148 Ca 0.26 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 3kel h ASP 148 Cb 0.12 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 3kel h ASP 148 CO -0.07 0.57 0.39 0.44 -1.72 0.00 0.00 179.24 178.85 3kel h ASP 149 N 1.00 1.08 0.02 6.45 3.32 -1.60 -2.65 116.42 124.04 3kel h ASP 149 Ca 0.35 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 3kel h ASP 149 Cb 0.08 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.35 3kel h ASP 149 CO -0.14 0.91 -0.01 0.58 -1.72 0.00 0.00 179.24 178.86 3kel h VAL 150 N 1.18 1.07 -0.05 -1.35 2.07 -0.70 -2.49 116.25 115.98 3kel h VAL 150 Ca 0.28 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3kel h VAL 150 Cb 0.12 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3kel h VAL 150 CO -0.04 0.07 0.22 -0.50 0.02 0.00 0.00 177.57 177.35 3kel h TRP 151 N -0.15 0.00 -0.03 1.57 -0.00 -0.55 -1.64 115.95 115.14 3kel h TRP 151 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 3kel h TRP 151 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.30 3kel h TRP 151 CO -0.04 0.00 0.00 0.36 -0.00 0.00 0.00 178.44 178.76 3kel n LYS 152 N -3.12 0.95 -3.02 0.49 2.85 -1.03 -5.00 118.16 110.29 3kel n LYS 152 Ca -0.01 -1.34 -0.39 0.00 -1.05 0.00 0.00 58.31 55.52 3kel n LYS 152 Cb 0.29 -1.26 -0.06 0.00 -0.65 0.00 0.00 35.03 33.35 3kel n LYS 152 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3kel s LEU 153 N -1.11 4.57 -0.01 -5.58 2.96 -0.62 -5.07 118.68 113.82 3kel s LEU 153 Ca 0.16 1.59 0.04 0.00 -0.22 0.00 0.00 54.13 55.71 3kel s LEU 153 Cb 0.11 -3.28 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 3kel s LEU 153 CO 0.17 0.20 -0.14 0.42 -1.32 0.00 0.00 176.35 175.68 3kel s THR 154 N -1.18 1.11 0.31 3.68 -4.23 -1.26 -5.03 115.64 109.04 3kel s THR 154 Ca 0.36 -0.60 0.07 0.00 -1.18 0.00 0.00 61.69 60.34 3kel s THR 154 Cb -0.22 -0.93 -0.06 0.00 1.34 0.00 0.00 72.50 72.63 3kel s THR 154 CO 0.25 0.31 -0.05 0.68 -0.54 0.00 0.00 174.62 175.28 3kel s VAL 155 N -0.32 1.78 0.01 2.29 -7.23 -1.26 -5.07 120.40 110.60 3kel s VAL 155 Ca 0.05 -2.12 -0.23 0.00 -1.81 0.00 0.00 61.98 57.87 3kel s VAL 155 Cb -0.06 -2.59 -0.17 0.00 0.56 0.00 0.00 36.38 34.13 3kel s VAL 155 CO -0.00 -0.22 1.33 0.11 -0.31 0.00 0.00 175.10 176.01 3kel h LYS 156 N 2.15 0.17 -2.67 4.82 1.57 -1.97 -3.42 116.57 117.23 3kel h LYS 156 Ca -0.41 -0.09 -0.53 0.00 -1.87 0.00 0.00 60.65 57.75 3kel h LYS 156 Cb 1.24 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.16 3kel h LYS 156 CO 0.70 0.59 -0.80 1.21 -0.57 0.00 0.00 179.45 180.58 3kel s ASN 157 N -5.87 3.20 0.00 0.86 2.47 -1.26 -4.99 114.94 109.35 3kel s ASN 157 Ca -0.15 -1.58 0.18 0.00 0.42 0.00 0.00 52.86 51.73 3kel s ASN 157 Cb 0.04 -0.30 1.09 0.00 -1.45 0.00 0.00 41.25 40.62 3kel s ASN 157 CO 0.71 -0.39 1.52 -1.84 -3.72 0.00 0.00 177.10 173.38 3kel n GLU 158 N 4.81 0.68 0.17 0.43 0.28 -1.26 -2.27 120.64 123.48 3kel n GLU 158 Ca 0.01 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.11 3kel n GLU 158 Cb 0.41 -1.42 0.09 0.00 1.43 0.00 0.00 31.44 31.95 3kel n GLU 158 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3kel h GLU 159 N 0.00 0.00 -2.57 3.44 4.39 -1.94 -3.38 114.58 114.52 3kel h GLU 159 Ca 0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 3kel h GLU 159 Cb 0.00 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.24 3kel h GLU 159 CO 0.00 0.06 -0.73 1.63 -1.16 0.00 0.00 179.01 178.81 3kel n LYS 160 N -2.97 1.51 -4.10 2.33 4.76 -0.96 -4.95 118.16 113.78 3kel n LYS 160 Ca 0.02 -4.10 -0.15 0.00 -2.87 0.00 0.00 58.31 51.22 3kel n LYS 160 Cb 0.57 -2.01 -0.14 0.00 -1.84 0.00 0.00 35.03 31.61 3kel n LYS 160 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3kel s LEU 161 N -1.36 2.06 0.10 -0.35 2.96 -1.26 -3.60 118.68 117.23 3kel s LEU 161 Ca 0.32 -0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 54.04 3kel s LEU 161 Cb 0.05 -0.21 -0.04 0.00 0.50 0.00 0.00 46.19 46.49 3kel s LEU 161 CO -0.13 -0.00 0.03 -0.94 -1.32 0.00 0.00 176.35 173.98 3kel s SER 162 N -0.41 0.37 0.15 3.68 1.04 -1.13 -0.60 113.70 116.80 3kel s SER 162 Ca -0.01 -1.13 0.04 0.00 0.48 0.00 0.00 55.95 55.33 3kel s SER 162 Cb -0.03 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 3kel s SER 162 CO -0.00 -0.68 -0.09 0.72 0.98 0.00 0.00 173.24 174.17 3kel s PHE 163 N -4.00 1.25 0.16 5.02 -0.12 -0.19 -1.12 117.98 118.97 3kel s PHE 163 Ca 0.18 -0.79 -0.05 0.00 -0.05 0.00 0.00 56.93 56.22 3kel s PHE 163 Cb 0.08 -0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 41.79 3kel s PHE 163 CO -0.03 0.04 0.17 -1.64 -0.05 0.00 0.00 175.22 173.72 3kel s MET 164 N -3.77 1.07 0.15 1.99 -1.94 -0.30 -4.56 119.30 111.94 3kel s MET 164 Ca 0.17 -1.34 0.00 0.00 -1.71 0.00 0.00 55.69 52.82 3kel s MET 164 Cb 0.03 0.31 -0.04 0.00 2.01 0.00 0.00 34.83 37.14 3kel s MET 164 CO 0.01 -0.35 0.02 0.95 -0.01 0.00 0.00 175.02 175.64 3kel s THR 165 N -4.02 0.41 0.53 2.05 -4.23 -1.26 -1.12 115.64 107.99 3kel s THR 165 Ca 0.23 -1.94 -0.19 0.00 -1.18 0.00 0.00 61.69 58.61 3kel s THR 165 Cb 0.05 -2.06 -0.06 0.00 1.34 0.00 0.00 72.50 71.77 3kel s THR 165 CO 0.02 -0.49 1.07 -1.58 -0.54 0.00 0.00 174.62 173.10 3kel s GLN 166 N -3.97 3.52 0.25 3.99 0.74 -0.23 -4.63 119.66 119.32 3kel s GLN 166 Ca 0.23 1.39 0.26 0.00 0.05 0.00 0.00 55.36 57.29 3kel s GLN 166 Cb 0.07 -2.05 0.81 0.00 1.10 0.00 0.00 33.01 32.94 3kel s GLN 166 CO 0.02 -0.67 1.76 1.79 -0.55 0.00 0.00 175.29 177.64 3kel h THR 167 N 1.13 0.00 -0.20 -0.34 1.35 -1.92 -3.35 112.91 109.58 3kel h THR 167 Ca -0.49 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 3kel h THR 167 Cb 1.23 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 3kel h THR 167 CO 0.58 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.20 3kel n THR 168 N -2.36 2.20 -1.42 6.82 -2.24 -1.26 -1.93 114.28 114.09 3kel n THR 168 Ca 0.05 -1.96 -0.29 0.00 -2.27 0.00 0.00 64.05 59.57 3kel n THR 168 Cb 0.40 -0.25 0.12 0.00 -2.10 0.00 0.00 70.33 68.51 3kel n THR 168 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kel s LEU 169 N -2.83 2.23 0.06 3.22 1.43 -1.26 -4.24 118.68 117.29 3kel s LEU 169 Ca 0.40 1.24 -0.31 0.00 -1.03 0.00 0.00 54.13 54.43 3kel s LEU 169 Cb 0.33 -3.67 -0.07 0.00 0.03 0.00 0.00 46.19 42.80 3kel s LEU 169 CO 0.08 -2.43 1.46 -0.55 0.23 0.00 0.00 176.35 175.13 3kel s SER 170 N -3.77 6.77 0.12 2.29 0.15 -1.26 -4.91 113.70 113.09 3kel s SER 170 Ca 0.63 2.29 -0.19 0.00 0.70 0.00 0.00 55.95 59.37 3kel s SER 170 Cb -0.16 -2.57 -0.07 0.00 -1.71 0.00 0.00 66.02 61.51 3kel s SER 170 CO 0.55 -0.74 1.75 0.58 1.20 0.00 0.00 173.24 176.58 3kel h VAL 171 N 4.62 1.08 0.11 4.45 2.07 -1.94 -1.69 116.25 124.96 3kel h VAL 171 Ca -0.41 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3kel h VAL 171 Cb 1.20 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3kel h VAL 171 CO 0.90 0.08 -0.05 0.44 0.02 0.00 0.00 177.57 178.95 3kel h ASP 172 N 0.27 -0.13 -0.71 0.57 3.32 -2.01 -2.48 116.42 115.26 3kel h ASP 172 Ca 0.08 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3kel h ASP 172 Cb 0.02 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3kel h ASP 172 CO -0.02 -0.08 0.36 0.44 -1.72 0.00 0.00 179.24 178.22 3kel h ASP 173 N -0.16 0.94 -0.47 6.45 3.45 -1.95 -2.44 116.42 122.24 3kel h ASP 173 Ca -0.02 -0.10 -0.06 0.00 0.43 0.00 0.00 57.03 57.28 3kel h ASP 173 Cb 0.12 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.63 3kel h ASP 173 CO 0.03 0.79 0.08 0.74 -1.57 0.00 0.00 179.24 179.31 3kel h THR 174 N 1.03 1.24 -0.59 0.35 2.02 -1.20 -2.03 112.91 113.73 3kel h THR 174 Ca 0.25 -0.90 0.04 0.00 0.77 0.00 0.00 66.41 66.58 3kel h THR 174 Cb 0.10 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 3kel h THR 174 CO -0.03 0.33 0.33 -1.28 0.37 0.00 0.00 175.52 175.24 3kel h SER 175 N 0.80 0.50 -0.62 4.18 0.87 -0.97 -0.26 113.55 118.05 3kel h SER 175 Ca 0.17 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3kel h SER 175 Cb 0.36 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 3kel h SER 175 CO 0.01 0.34 0.37 0.44 -0.53 0.00 0.00 176.83 177.45 3kel h ASP 176 N 0.63 0.75 -0.61 6.23 3.45 -1.17 -0.86 116.42 124.84 3kel h ASP 176 Ca 0.25 -0.06 -0.05 0.00 0.43 0.00 0.00 57.03 57.60 3kel h ASP 176 Cb 0.12 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 38.67 3kel h ASP 176 CO -0.15 0.59 0.17 0.58 -1.57 0.00 0.00 179.24 178.86 3kel h VAL 177 N 0.84 1.25 -0.52 -1.35 2.07 -0.76 -2.01 116.25 115.76 3kel h VAL 177 Ca 0.22 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 3kel h VAL 177 Cb -0.01 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3kel h VAL 177 CO -0.04 0.33 0.04 0.40 0.02 0.00 0.00 177.57 178.32 3kel h ILE 178 N 0.87 1.26 -0.79 4.57 1.08 -0.82 -0.44 117.51 123.24 3kel h ILE 178 Ca 0.19 -1.03 0.05 0.00 -0.39 0.00 0.00 64.86 63.69 3kel h ILE 178 Cb 0.33 0.90 -0.06 0.00 -3.07 0.00 0.00 36.82 34.92 3kel h ILE 178 CO -0.00 0.37 0.49 0.44 -0.69 0.00 0.00 178.15 178.75 3kel h ASP 179 N 0.77 0.77 -0.24 1.72 3.45 -0.95 -1.03 116.42 120.91 3kel h ASP 179 Ca 0.15 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.60 3kel h ASP 179 Cb 0.47 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 3kel h ASP 179 CO 0.02 0.51 0.05 0.00 -1.57 0.00 0.00 179.24 178.25 3kel h ALA 180 N 1.37 0.32 -0.42 3.45 0.00 -1.01 -2.33 119.26 120.63 3kel h ALA 180 Ca 0.34 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.15 3kel h ALA 180 Cb 0.12 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3kel h ALA 180 CO -0.15 -0.01 0.07 -0.07 0.00 0.00 0.00 179.25 179.08 3kel h LEU 181 N 0.22 -0.02 -1.16 0.00 3.38 -0.31 -0.77 115.31 116.64 3kel h LEU 181 Ca 0.08 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 3kel h LEU 181 Cb 0.30 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3kel h LEU 181 CO 0.00 0.02 -0.40 0.03 0.09 0.00 0.00 178.44 178.19 3kel h ARG 182 N 0.20 0.00 -0.17 1.13 3.08 -1.17 0.40 114.38 117.85 3kel h ARG 182 Ca 0.21 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.06 3kel h ARG 182 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3kel h ARG 182 CO -0.28 0.40 -0.70 -0.22 -1.07 0.00 0.00 179.97 178.10 3kel h LYS 183 N 0.00 0.69 0.06 0.04 3.64 -0.80 -2.77 116.57 117.43 3kel h LYS 183 Ca -0.00 -0.52 -0.28 0.00 -1.27 0.00 0.00 60.65 58.58 3kel h LYS 183 Cb 0.76 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 3kel h LYS 183 CO 0.05 1.14 -1.42 -0.09 -2.27 0.00 0.00 179.45 176.86 3kel h ARG 184 N 0.49 0.12 -2.58 1.90 2.43 -0.96 -3.40 114.38 112.39 3kel h ARG 184 Ca -0.03 -0.21 -0.60 0.00 -0.81 0.00 0.00 59.98 58.34 3kel h ARG 184 Cb 1.30 0.08 -0.41 0.00 -0.42 0.00 0.00 29.97 30.52 3kel h ARG 184 CO 0.14 0.94 -0.74 1.19 -1.51 0.00 0.00 179.97 179.99 3kel n PHE 185 N -3.33 1.89 0.16 2.20 3.01 0.14 -4.98 117.46 116.55 3kel n PHE 185 Ca -0.12 -3.94 0.18 0.00 1.01 0.00 0.00 57.45 54.58 3kel n PHE 185 Cb 1.02 -0.36 0.69 0.00 -0.01 0.00 0.00 39.48 40.81 3kel n PHE 185 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3kel h PRO 186 N 4.99 0.00 -0.32 -1.08 0.13 -1.70 -0.41 132.00 133.61 3kel h PRO 186 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3kel h PRO 186 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3kel h PRO 186 CO 0.63 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.03 3kel n LYS 187 N -3.31 2.30 -1.93 0.86 4.76 -1.26 -4.97 118.16 114.60 3kel n LYS 187 Ca 0.05 -1.96 -0.40 0.00 -2.87 0.00 0.00 58.31 53.13 3kel n LYS 187 Cb 0.66 -1.48 -0.00 0.00 -1.84 0.00 0.00 35.03 32.37 3kel n LYS 187 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 3kel s ILE 188 N -1.59 2.33 0.04 -0.18 2.07 -0.17 -4.65 121.20 119.06 3kel s ILE 188 Ca 0.37 0.32 0.08 0.00 -1.41 0.00 0.00 60.65 60.00 3kel s ILE 188 Cb 0.21 -3.20 -0.03 0.00 0.13 0.00 0.00 42.46 39.57 3kel s ILE 188 CO 0.30 0.07 -0.20 0.68 -1.91 0.00 0.00 174.94 173.88 3kel s VAL 189 N -1.17 2.65 0.00 4.00 -7.23 0.23 -4.97 120.40 113.91 3kel s VAL 189 Ca 0.54 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 3kel s VAL 189 Cb -0.43 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.41 3kel s VAL 189 CO 0.57 0.34 0.00 0.61 -0.31 0.00 0.00 175.10 176.31 3kel n GLY 190 N 1.59 2.39 2.87 2.32 0.00 -1.26 -1.02 105.19 112.07 3kel n GLY 190 Ca -0.16 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 3kel n GLY 190 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kel n PRO 191 N 0.00 -2.52 -0.01 1.61 -0.04 -1.26 -4.92 135.00 127.87 3kel n PRO 191 Ca 0.00 -1.45 -0.00 0.00 -0.04 0.00 0.00 63.50 62.01 3kel n PRO 191 Cb 0.00 -1.29 0.29 0.00 -0.04 0.00 0.00 33.50 32.45 3kel n PRO 191 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kel h ARG 192 N 0.00 0.54 0.00 0.54 3.08 -2.02 -3.42 114.38 113.10 3kel h ARG 192 Ca -0.33 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3kel h ARG 192 Cb 1.01 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.98 3kel h ARG 192 CO 0.22 0.57 0.00 1.17 -1.07 0.00 0.00 179.97 180.86 3kel n LYS 193 N -4.27 0.00 -1.71 0.04 4.81 -1.26 -5.18 118.16 110.60 3kel n LYS 193 Ca 0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.45 3kel n LYS 193 Cb 0.25 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.31 3kel n LYS 193 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3kel n ASP 194 N -2.32 -0.29 -1.07 3.14 5.68 -1.26 -5.04 116.55 115.38 3kel n ASP 194 Ca 0.00 -1.17 0.08 0.00 -0.50 0.00 0.00 54.79 53.20 3kel n ASP 194 Cb 0.00 0.48 0.26 0.00 -1.14 0.00 0.00 41.12 40.72 3kel n ASP 194 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3kel n ASP 195 N -0.79 3.76 -4.70 -1.12 10.43 -1.26 -4.90 116.55 117.97 3kel n ASP 195 Ca -0.01 -2.25 -0.42 0.00 2.57 0.00 0.00 54.79 54.68 3kel n ASP 195 Cb 0.09 -0.42 -0.03 0.00 1.84 0.00 0.00 41.12 42.60 3kel n ASP 195 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3kel s ILE 196 N -1.46 3.05 0.78 0.53 1.01 -1.25 -4.17 121.20 119.69 3kel s ILE 196 Ca 0.39 0.59 -0.11 0.00 0.00 0.00 0.00 60.65 61.52 3kel s ILE 196 Cb 0.23 -3.38 0.06 0.00 0.01 0.00 0.00 42.46 39.38 3kel s ILE 196 CO 0.21 0.01 1.08 0.00 0.00 0.00 0.00 174.94 176.25 3kel h TYR 198 N -1.10 1.08 -0.56 0.00 -0.00 -1.92 -1.84 116.97 112.63 3kel h TYR 198 Ca -0.45 0.03 -0.05 0.00 0.00 0.00 0.00 58.73 58.26 3kel h TYR 198 Cb 1.24 -0.34 -0.02 0.00 0.00 0.00 0.00 36.73 37.61 3kel h TYR 198 CO 0.54 0.40 0.15 0.00 -0.00 0.00 0.00 178.16 179.24 3kel h ALA 199 N 1.57 0.74 -0.16 0.10 0.00 -1.94 0.40 119.26 119.97 3kel h ALA 199 Ca 0.50 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 3kel h ALA 199 Cb 0.59 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kel h ALA 199 CO -0.27 0.43 -0.04 1.15 0.00 0.00 0.00 179.25 180.52 3kel h THR 200 N 0.80 1.29 -0.20 0.00 2.02 -1.70 -0.77 112.91 114.34 3kel h THR 200 Ca 0.18 -1.00 0.03 0.00 0.77 0.00 0.00 66.41 66.38 3kel h THR 200 Cb 0.32 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 3kel h THR 200 CO -0.00 0.30 0.03 0.74 0.37 0.00 0.00 175.52 176.95 3kel h THR 201 N 0.01 0.90 -0.61 3.16 2.02 -1.24 -1.94 112.91 115.20 3kel h THR 201 Ca 0.04 -0.04 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 3kel h THR 201 Cb 0.47 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3kel h THR 201 CO 0.02 0.02 0.15 0.78 0.37 0.00 0.00 175.52 176.85 3kel h ASN 202 N 0.10 0.92 0.31 4.18 2.35 -0.85 -1.47 115.58 121.12 3kel h ASN 202 Ca 0.09 -0.23 -0.10 0.00 -0.55 0.00 0.00 56.30 55.51 3kel h ASN 202 Cb 0.09 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3kel h ASN 202 CO -0.13 0.92 -0.42 0.03 -1.65 0.00 0.00 177.43 176.18 3kel h ARG 203 N 0.89 0.14 -0.14 0.81 3.08 -1.01 0.08 114.38 118.22 3kel h ARG 203 Ca 0.19 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 60.02 3kel h ARG 203 Cb 0.35 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.41 3kel h ARG 203 CO 0.00 0.54 -0.50 1.96 -1.07 0.00 0.00 179.97 180.90 3kel h GLN 204 N 0.12 0.60 -0.83 0.04 4.20 -1.19 -0.68 115.11 117.38 3kel h GLN 204 Ca 0.01 -0.45 -0.01 0.00 0.06 0.00 0.00 58.65 58.26 3kel h GLN 204 Cb 0.79 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.61 3kel h GLN 204 CO 0.06 1.07 0.46 1.49 -0.67 0.00 0.00 178.83 181.24 3kel h GLU 205 N 0.24 1.14 -0.43 1.46 4.81 -1.07 -0.61 114.58 120.12 3kel h GLU 205 Ca -0.02 -0.12 -0.14 0.00 -0.13 0.00 0.00 59.36 58.94 3kel h GLU 205 Cb 1.13 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 3kel h GLU 205 CO 0.11 0.83 -0.28 0.00 -0.73 0.00 0.00 179.01 178.94 3kel h ALA 206 N 1.35 0.61 0.00 2.92 0.00 -0.86 -2.61 119.26 120.68 3kel h ALA 206 Ca 0.29 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3kel h ALA 206 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3kel h ALA 206 CO -0.05 0.64 -0.41 -0.24 0.00 0.00 0.00 179.25 179.19 3kel h VAL 207 N 0.78 0.99 -0.55 0.00 3.04 -0.79 -1.13 116.25 118.59 3kel h VAL 207 Ca 0.09 -1.60 -0.06 0.00 -1.01 0.00 0.00 66.70 64.12 3kel h VAL 207 Cb 0.86 1.94 -0.02 0.00 -2.01 0.00 0.00 31.29 32.06 3kel h VAL 207 CO 0.08 0.40 0.12 -0.09 -1.01 0.00 0.00 177.57 177.07 3kel h ARG 208 N 0.00 0.90 -0.31 4.17 2.43 -0.90 0.90 114.38 121.57 3kel h ARG 208 Ca -0.00 -0.23 -0.15 0.00 -0.81 0.00 0.00 59.98 58.79 3kel h ARG 208 Cb 0.91 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 3kel h ARG 208 CO 0.05 0.85 -0.42 0.00 -1.51 0.00 0.00 179.97 178.94 3kel h ALA 209 N 1.01 0.67 -0.12 2.80 0.00 -1.17 -2.88 119.26 119.57 3kel h ALA 209 Ca 0.17 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3kel h ALA 209 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kel h ALA 209 CO 0.01 0.67 0.05 1.25 0.00 0.00 0.00 179.25 181.23 3kel h LEU 210 N 0.63 0.16 -2.21 0.00 5.85 -0.91 -2.96 115.31 115.87 3kel h LEU 210 Ca 0.05 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3kel h LEU 210 Cb 0.99 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 3kel h LEU 210 CO 0.09 0.26 -0.06 0.00 -0.34 0.00 0.00 178.44 178.40 3kel h ALA 211 N 0.90 1.45 0.00 1.25 0.00 -0.80 0.15 119.26 122.21 3kel h ALA 211 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kel h ALA 211 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kel h ALA 211 CO -0.00 0.07 0.00 1.05 0.00 0.00 0.00 179.25 180.37 3kel h GLU 212 N 0.00 0.00 0.00 0.00 4.11 -1.33 -3.27 114.58 114.09 3kel h GLU 212 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.20 3kel h GLU 212 Cb 0.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3kel h GLU 212 CO 0.01 0.00 -1.87 1.04 0.07 0.00 0.00 179.01 178.26 3kel n GLN 213 N -2.97 1.18 -3.32 1.06 6.02 -0.51 -5.02 117.38 113.82 3kel n GLN 213 Ca 0.01 0.04 -0.34 0.00 -0.01 0.00 0.00 57.00 56.70 3kel n GLN 213 Cb 0.30 -1.31 -0.06 0.00 1.02 0.00 0.00 30.24 30.19 3kel n GLN 213 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kel s ALA 214 N -2.31 3.54 -0.01 -1.58 0.00 -0.08 -4.86 121.76 116.47 3kel s ALA 214 Ca -0.14 -0.12 0.10 0.00 0.00 0.00 0.00 51.96 51.80 3kel s ALA 214 Cb 0.05 -2.56 -0.23 0.00 0.00 0.00 0.00 23.12 20.38 3kel s ALA 214 CO 0.43 0.44 0.78 0.93 0.00 0.00 0.00 175.76 178.34 3kel h GLU 215 N 3.22 0.03 -5.07 0.00 5.08 -1.50 -3.44 114.58 112.90 3kel h GLU 215 Ca -0.48 -0.05 -0.47 0.00 -1.00 0.00 0.00 59.36 57.36 3kel h GLU 215 Cb 1.19 0.02 -0.30 0.00 0.50 0.00 0.00 28.75 30.16 3kel h GLU 215 CO 0.66 0.66 -0.81 0.08 -1.00 0.00 0.00 179.01 178.61 3kel s VAL 216 N -2.62 1.04 -0.10 3.13 1.01 -1.22 -3.00 120.40 118.64 3kel s VAL 216 Ca -0.05 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.42 3kel s VAL 216 Cb 0.08 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.58 3kel s VAL 216 CO 0.82 0.30 -0.20 -0.69 0.00 0.00 0.00 175.10 175.34 3kel s VAL 217 N -0.14 1.74 -0.19 2.92 1.01 -0.25 -0.35 120.40 125.13 3kel s VAL 217 Ca 0.02 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 3kel s VAL 217 Cb -0.07 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3kel s VAL 217 CO 0.00 0.49 -0.00 -0.76 0.00 0.00 0.00 175.10 174.83 3kel s LEU 218 N 0.56 3.27 -0.28 3.92 1.43 -0.02 -1.16 118.68 126.39 3kel s LEU 218 Ca -0.15 -0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 3kel s LEU 218 Cb -0.17 -1.82 0.03 0.00 0.03 0.00 0.00 46.19 44.26 3kel s LEU 218 CO 0.05 0.08 0.00 -0.69 0.23 0.00 0.00 176.35 176.03 3kel s VAL 219 N 0.88 3.24 -0.29 -1.59 1.01 0.24 -1.09 120.40 122.81 3kel s VAL 219 Ca 0.01 -1.07 -0.29 0.00 0.00 0.00 0.00 61.98 60.63 3kel s VAL 219 Cb -0.14 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.51 3kel s VAL 219 CO 0.02 0.05 1.14 -0.69 0.00 0.00 0.00 175.10 175.61 3kel s VAL 220 N 1.35 4.43 0.00 2.92 1.01 -0.28 -1.25 120.40 128.59 3kel s VAL 220 Ca -0.01 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.64 3kel s VAL 220 Cb -0.18 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.90 3kel s VAL 220 CO -0.01 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.30 3kel n GLY 221 N 3.85 1.44 3.86 4.51 0.00 -0.35 -0.64 105.19 117.86 3kel n GLY 221 Ca 0.13 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 3kel n GLY 221 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kel s SER 222 N 0.00 6.16 0.45 1.61 0.01 -1.26 -3.92 113.70 116.74 3kel s SER 222 Ca 0.00 1.46 0.14 0.00 1.31 0.00 0.00 55.95 58.86 3kel s SER 222 Cb 0.00 -2.48 1.05 0.00 0.21 0.00 0.00 66.02 64.80 3kel s SER 222 CO 0.00 -0.92 2.01 0.11 0.41 0.00 0.00 173.24 174.85 3kel h LYS 223 N -0.25 0.36 -0.45 12.44 1.79 -1.94 -1.93 116.57 126.59 3kel h LYS 223 Ca -0.44 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 3kel h LYS 223 Cb 1.19 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 3kel h LYS 223 CO 0.61 0.24 0.00 0.27 -1.08 0.00 0.00 179.45 179.49 3kel n ASN 224 N -4.47 2.39 -4.53 0.86 6.94 -1.26 -4.82 115.26 110.38 3kel n ASN 224 Ca 0.08 -2.00 -0.43 0.00 -0.02 0.00 0.00 54.58 52.21 3kel n ASN 224 Cb 0.32 -0.30 -0.05 0.00 -2.36 0.00 0.00 39.78 37.39 3kel n ASN 224 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3kel s SER 225 N -1.00 6.38 0.11 0.53 0.15 -0.73 -4.93 113.70 114.21 3kel s SER 225 Ca 0.30 -0.23 -0.28 0.00 0.70 0.00 0.00 55.95 56.44 3kel s SER 225 Cb 0.16 -2.41 -0.09 0.00 -1.71 0.00 0.00 66.02 61.96 3kel s SER 225 CO 0.20 -1.05 1.64 -1.28 1.20 0.00 0.00 173.24 173.95 3kel h SER 226 N 9.12 -0.73 -0.28 5.45 0.87 -1.88 -1.62 113.55 124.47 3kel h SER 226 Ca -0.25 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.36 3kel h SER 226 Cb 1.08 0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 63.29 3kel h SER 226 CO 1.02 -0.36 0.12 -0.55 -0.53 0.00 0.00 176.83 176.52 3kel h ASN 227 N -0.50 0.44 -0.39 6.23 7.08 -1.93 -2.34 115.58 124.17 3kel h ASN 227 Ca 0.02 -0.05 -0.04 0.00 -3.08 0.00 0.00 56.30 53.15 3kel h ASN 227 Cb 0.50 -0.11 -0.02 0.00 -2.08 0.00 0.00 38.32 36.62 3kel h ASN 227 CO -0.12 0.42 0.07 0.28 -2.08 0.00 0.00 177.43 176.00 3kel h SER 228 N 0.48 0.62 -0.65 6.14 0.02 -1.82 -2.83 113.55 115.52 3kel h SER 228 Ca 0.12 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 3kel h SER 228 Cb 0.14 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 3kel h SER 228 CO -0.01 0.71 0.34 0.78 -1.14 0.00 0.00 176.83 177.51 3kel h ASN 229 N 0.50 0.85 -0.41 3.07 4.21 -0.86 -2.27 115.58 120.66 3kel h ASN 229 Ca 0.12 -0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.54 3kel h ASN 229 Cb 0.35 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.31 3kel h ASN 229 CO 0.01 0.71 0.22 -0.09 -1.29 0.00 0.00 177.43 176.99 3kel h ARG 230 N 0.94 0.61 -0.31 0.81 9.65 -1.20 -1.16 114.38 123.72 3kel h ARG 230 Ca 0.24 -0.06 -0.05 0.00 -1.10 0.00 0.00 59.98 59.01 3kel h ARG 230 Cb 0.07 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 3kel h ARG 230 CO -0.03 0.47 0.01 -0.07 2.80 0.00 0.00 179.97 183.15 3kel h LEU 231 N 0.62 0.53 -0.54 3.80 4.07 -1.22 -1.29 115.31 121.28 3kel h LEU 231 Ca 0.16 -0.30 -0.13 0.00 0.08 0.00 0.00 57.88 57.69 3kel h LEU 231 Cb 0.05 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 3kel h LEU 231 CO -0.02 0.69 -0.23 0.00 -1.08 0.00 0.00 178.44 177.80 3kel h ALA 232 N 0.85 0.73 -0.50 1.53 0.00 -1.36 -2.91 119.26 117.60 3kel h ALA 232 Ca 0.09 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3kel h ALA 232 Cb 0.42 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3kel h ALA 232 CO 0.01 0.67 0.28 1.49 0.00 0.00 0.00 179.25 181.70 3kel h GLU 233 N 0.81 0.70 -0.36 0.00 4.81 -1.14 -1.31 114.58 118.09 3kel h GLU 233 Ca 0.10 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3kel h GLU 233 Cb 0.79 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 3kel h GLU 233 CO 0.07 0.53 0.22 1.25 -0.73 0.00 0.00 179.01 180.35 3kel h LEU 234 N 0.67 0.37 -0.65 1.64 6.46 -1.16 -0.50 115.31 122.14 3kel h LEU 234 Ca 0.18 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.92 3kel h LEU 234 Cb 0.03 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 3kel h LEU 234 CO -0.03 0.27 0.34 0.00 -0.62 0.00 0.00 178.44 178.40 3kel h ALA 235 N 1.15 0.84 -0.85 1.25 0.00 -1.31 -2.44 119.26 117.90 3kel h ALA 235 Ca 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3kel h ALA 235 Cb -0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3kel h ALA 235 CO -0.05 0.37 0.41 1.96 0.00 0.00 0.00 179.25 181.95 3kel h GLN 236 N 0.89 1.22 0.00 0.00 4.20 -0.81 -1.79 115.11 118.83 3kel h GLN 236 Ca 0.23 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 3kel h GLN 236 Cb 0.08 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 3kel h GLN 236 CO -0.03 0.93 -0.11 0.00 -0.67 0.00 0.00 178.83 178.95 3kel h ARG 237 N 1.20 0.00 -0.11 1.46 3.08 -0.73 -0.36 114.38 118.93 3kel h ARG 237 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3kel h ARG 237 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3kel h ARG 237 CO -0.04 0.11 0.00 -1.33 -1.07 0.00 0.00 179.97 177.64 3kel n MET 238 N -3.50 1.44 -0.59 0.04 2.81 -0.72 -4.89 117.12 111.71 3kel n MET 238 Ca -0.01 -0.66 0.00 0.00 -1.81 0.00 0.00 57.70 55.21 3kel n MET 238 Cb 0.25 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 3kel n MET 238 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kel n GLY 239 N 0.98 0.69 3.75 3.03 0.00 -0.14 -5.07 105.19 108.43 3kel n GLY 239 Ca 0.14 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3kel n GLY 239 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kel s LYS 240 N -0.60 2.96 0.06 1.61 -0.14 -0.92 -5.02 119.74 117.70 3kel s LYS 240 Ca 0.00 -0.55 -0.31 0.00 -1.36 0.00 0.00 55.97 53.76 3kel s LYS 240 Cb 0.00 -2.79 -0.06 0.00 -1.68 0.00 0.00 37.83 33.31 3kel s LYS 240 CO 0.00 0.63 1.26 1.03 -0.76 0.00 0.00 175.35 177.51 3kel s ARG 241 N -1.75 4.39 -0.00 1.68 0.52 -1.16 -3.52 118.95 119.10 3kel s ARG 241 Ca 0.22 1.84 0.03 0.00 -0.52 0.00 0.00 55.73 57.31 3kel s ARG 241 Cb -0.12 -3.36 -0.01 0.00 0.52 0.00 0.00 34.95 31.98 3kel s ARG 241 CO 0.14 -0.34 -0.09 0.00 0.02 0.00 0.00 175.30 175.03 3kel s ALA 242 N 1.29 0.71 -0.03 2.13 0.00 -1.26 -1.10 121.76 123.50 3kel s ALA 242 Ca 0.60 -0.39 0.03 0.00 0.00 0.00 0.00 51.96 52.21 3kel s ALA 242 Cb -0.31 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.64 3kel s ALA 242 CO 0.29 0.17 -0.13 -0.06 0.00 0.00 0.00 175.76 176.02 3kel s PHE 243 N -0.25 1.33 -0.28 0.00 0.40 -0.31 -4.97 117.98 113.89 3kel s PHE 243 Ca 0.03 -0.36 -0.16 0.00 -0.60 0.00 0.00 56.93 55.84 3kel s PHE 243 Cb -0.04 -0.91 -0.03 0.00 0.51 0.00 0.00 43.02 42.55 3kel s PHE 243 CO -0.00 -0.13 0.41 -1.17 0.70 0.00 0.00 175.22 175.02 3kel s LEU 244 N 0.13 4.10 0.03 -0.37 2.96 -1.26 -0.59 118.68 123.68 3kel s LEU 244 Ca -0.04 0.26 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 3kel s LEU 244 Cb -0.10 -2.47 -0.02 0.00 0.50 0.00 0.00 46.19 44.10 3kel s LEU 244 CO 0.01 -0.24 -0.09 0.27 -1.32 0.00 0.00 176.35 174.98 3kel s ILE 245 N 2.14 0.70 0.09 6.68 -0.00 -0.38 -4.95 121.20 125.49 3kel s ILE 245 Ca 0.16 -0.90 -0.02 0.00 -0.00 0.00 0.00 60.65 59.89 3kel s ILE 245 Cb -0.16 -0.69 -0.25 0.00 -0.00 0.00 0.00 42.46 41.36 3kel s ILE 245 CO 0.10 -0.17 1.19 0.44 -0.00 0.00 0.00 174.94 176.51 3kel h ASP 246 N 4.90 0.34 -5.12 4.36 3.32 -1.87 -0.93 116.42 121.43 3kel h ASP 246 Ca -0.35 -0.35 0.07 0.00 0.02 0.00 0.00 57.03 56.42 3kel h ASP 246 Cb 1.19 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 3kel h ASP 246 CO 0.43 1.26 0.34 1.51 -1.72 0.00 0.00 179.24 181.06 3kel s ASP 247 N -7.05 -0.10 0.51 6.45 1.47 -1.26 -4.75 116.67 111.94 3kel s ASP 247 Ca -0.03 -0.80 0.28 0.00 1.18 0.00 0.00 52.55 53.18 3kel s ASP 247 Cb 0.08 0.71 1.38 0.00 -0.34 0.00 0.00 42.92 44.74 3kel s ASP 247 CO 0.87 -1.36 1.89 0.00 0.68 0.00 0.00 175.17 177.25 3kel h ALA 248 N 2.00 2.66 0.00 2.11 0.00 -1.85 -1.19 119.26 122.99 3kel h ALA 248 Ca -0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3kel h ALA 248 Cb 1.24 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3kel h ALA 248 CO 0.32 -0.91 -0.02 0.87 0.00 0.00 0.00 179.25 179.51 3kel h LYS 249 N 0.10 0.00 0.00 0.00 1.57 -1.96 -2.20 116.57 114.08 3kel h LYS 249 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3kel h LYS 249 Cb 1.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.82 3kel h LYS 249 CO -0.05 0.02 0.00 -0.44 -0.57 0.00 0.00 179.45 178.41 3kel h ASP 250 N 0.00 0.00 -2.74 0.86 3.32 -1.63 -3.45 116.42 112.78 3kel h ASP 250 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3kel h ASP 250 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3kel h ASP 250 CO 0.00 0.00 0.97 -0.63 -1.72 0.00 0.00 179.24 177.86 3kel s ILE 251 N -3.24 3.43 -0.18 0.35 1.09 -0.83 -5.00 121.20 116.81 3kel s ILE 251 Ca 0.07 0.76 -0.09 0.00 -1.10 0.00 0.00 60.65 60.30 3kel s ILE 251 Cb 0.10 -3.49 -0.05 0.00 -1.06 0.00 0.00 42.46 37.97 3kel s ILE 251 CO 0.52 -0.02 0.10 -1.10 -0.10 0.00 0.00 174.94 174.34 3kel s GLN 252 N 2.98 4.03 0.28 2.79 -0.21 -1.26 -5.01 119.66 123.26 3kel s GLN 252 Ca 0.70 -0.26 0.02 0.00 0.02 0.00 0.00 55.36 55.84 3kel s GLN 252 Cb -0.35 -3.31 0.69 0.00 1.00 0.00 0.00 33.01 31.04 3kel s GLN 252 CO 0.29 0.34 1.69 0.93 -2.12 0.00 0.00 175.29 176.42 3kel h GLU 253 N 6.50 0.35 -0.67 2.91 5.08 -2.00 -0.83 114.58 125.92 3kel h GLU 253 Ca -0.41 -0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.11 3kel h GLU 253 Cb 1.16 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 3kel h GLU 253 CO 0.72 0.23 0.47 1.49 -1.00 0.00 0.00 179.01 180.93 3kel h GLU 254 N 0.36 0.10 -0.87 2.33 4.22 -1.95 -0.28 114.58 118.49 3kel h GLU 254 Ca 0.54 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.96 3kel h GLU 254 Cb 1.01 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 3kel h GLU 254 CO -0.54 0.06 0.49 -1.49 -2.18 0.00 0.00 179.01 175.35 3kel h TRP 255 N 0.10 1.18 -0.16 0.92 6.55 -1.56 -3.20 115.95 119.78 3kel h TRP 255 Ca 0.32 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.14 3kel h TRP 255 Cb 1.14 -0.38 0.00 0.00 -0.86 0.00 0.00 29.16 29.06 3kel h TRP 255 CO -0.00 0.81 0.00 1.33 -1.05 0.00 0.00 178.44 179.53 3kel n VAL 256 N -4.34 0.54 -1.70 1.49 0.24 -0.63 -4.91 118.33 109.01 3kel n VAL 256 Ca 0.09 -0.77 -0.42 0.00 -2.04 0.00 0.00 64.34 61.20 3kel n VAL 256 Cb 0.09 0.82 -0.03 0.00 -1.47 0.00 0.00 33.84 33.25 3kel n VAL 256 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3kel s LYS 257 N -0.90 4.14 -0.75 7.34 2.20 -0.21 -1.69 119.74 129.87 3kel s LYS 257 Ca 0.15 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.36 3kel s LYS 257 Cb 0.09 -3.82 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 3kel s LYS 257 CO 0.12 -0.89 0.00 0.39 -0.36 0.00 0.00 175.35 174.62 3kel n GLU 258 N 6.41 -1.03 -3.12 4.03 1.02 -1.26 -4.99 120.64 121.71 3kel n GLU 258 Ca 0.19 0.66 -0.39 0.00 -0.02 0.00 0.00 57.16 57.59 3kel n GLU 258 Cb 0.39 -4.64 -0.05 0.00 -0.02 0.00 0.00 31.44 27.12 3kel n GLU 258 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kel s VAL 259 N -1.99 5.07 0.02 2.62 1.01 -0.68 -4.97 120.40 121.47 3kel s VAL 259 Ca 0.00 1.28 0.10 0.00 0.00 0.00 0.00 61.98 63.36 3kel s VAL 259 Cb 0.00 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 32.30 3kel s VAL 259 CO 0.00 0.23 1.34 0.11 0.00 0.00 0.00 175.10 176.77 3kel h LYS 260 N 6.93 0.00 -3.15 2.72 1.57 -1.94 -3.42 116.57 119.29 3kel h LYS 260 Ca -0.38 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.06 3kel h LYS 260 Cb 1.18 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.11 3kel h LYS 260 CO 0.76 0.82 -0.68 0.00 -0.57 0.00 0.00 179.45 179.77 3kel s VAL 262 N 2.24 2.43 0.09 0.00 0.11 -0.20 -1.33 120.40 123.75 3kel s VAL 262 Ca 0.04 -0.92 0.05 0.00 -2.93 0.00 0.00 61.98 58.21 3kel s VAL 262 Cb -0.12 -1.93 -0.04 0.00 -1.53 0.00 0.00 36.38 32.76 3kel s VAL 262 CO -0.05 0.57 0.01 -0.83 -3.33 0.00 0.00 175.10 171.47 3kel s GLY 263 N -0.16 1.92 -0.02 6.54 0.00 0.52 -1.39 107.32 114.73 3kel s GLY 263 Ca -0.03 -1.12 0.02 0.00 0.00 0.00 0.00 44.72 43.60 3kel s GLY 263 CO 0.04 -1.10 -0.07 0.14 0.00 0.00 0.00 173.10 172.11 3kel s VAL 264 N -1.35 0.63 0.30 1.40 1.01 -0.02 -0.84 120.40 121.52 3kel s VAL 264 Ca 0.26 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.99 3kel s VAL 264 Cb -0.12 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 3kel s VAL 264 CO 0.19 0.20 0.32 1.07 0.00 0.00 0.00 175.10 176.88 3kel n THR 265 N 3.22 0.00 -3.73 3.92 5.66 -0.25 -1.35 114.28 121.75 3kel n THR 265 Ca -0.17 -1.91 -0.13 0.00 -3.05 0.00 0.00 64.05 58.78 3kel n THR 265 Cb 0.55 1.03 -0.09 0.00 -1.55 0.00 0.00 70.33 70.27 3kel n THR 265 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kel s ALA 266 N -2.97 -0.97 1.08 1.79 0.00 -1.26 -1.12 121.76 118.31 3kel s ALA 266 Ca 0.31 0.91 -0.13 0.00 0.00 0.00 0.00 51.96 53.05 3kel s ALA 266 Cb 0.01 -0.41 0.23 0.00 0.00 0.00 0.00 23.12 22.95 3kel s ALA 266 CO 0.22 -0.22 1.07 0.20 0.00 0.00 0.00 175.76 177.03 3kel s GLY 267 N -0.30 1.55 0.21 0.00 0.00 0.19 -1.04 107.32 107.93 3kel s GLY 267 Ca -0.04 -0.35 0.18 0.00 0.00 0.00 0.00 44.72 44.51 3kel s GLY 267 CO 0.02 0.33 1.56 0.00 0.00 0.00 0.00 173.10 175.01 3kel n ALA 268 N -4.51 1.36 0.03 3.20 0.00 -1.25 -2.56 120.51 116.78 3kel n ALA 268 Ca 0.04 0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.64 3kel n ALA 268 Cb 0.57 -1.29 0.14 0.00 0.00 0.00 0.00 19.45 18.86 3kel n ALA 268 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kel n SER 269 N -2.04 2.73 -4.62 0.00 3.41 -1.26 -2.71 113.62 109.14 3kel n SER 269 Ca 0.01 -1.85 -0.39 0.00 -0.26 0.00 0.00 58.87 56.38 3kel n SER 269 Cb 0.12 -0.18 -0.09 0.00 -0.26 0.00 0.00 64.21 63.80 3kel n SER 269 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kel s ALA 270 N -1.02 3.57 0.52 7.33 0.00 -1.06 -4.67 121.76 126.44 3kel s ALA 270 Ca 0.23 -0.76 -0.23 0.00 0.00 0.00 0.00 51.96 51.19 3kel s ALA 270 Cb 0.13 -2.68 -0.06 0.00 0.00 0.00 0.00 23.12 20.51 3kel s ALA 270 CO 0.17 -0.57 1.39 -2.14 0.00 0.00 0.00 175.76 174.61 3kel s PRO 271 N 1.89 3.27 0.47 0.00 0.02 -1.26 -3.85 135.00 135.54 3kel s PRO 271 Ca 0.15 2.31 0.13 0.00 0.02 0.00 0.00 61.00 63.61 3kel s PRO 271 Cb -0.15 -2.37 1.09 0.00 0.02 0.00 0.00 34.50 33.09 3kel s PRO 271 CO 0.09 -1.11 2.09 0.22 -0.33 0.00 0.00 177.00 177.97 3kel h ASP 272 N 1.68 0.16 -0.53 2.53 1.82 -1.99 -2.13 116.42 117.96 3kel h ASP 272 Ca -0.51 -0.01 0.04 0.00 -0.39 0.00 0.00 57.03 56.16 3kel h ASP 272 Cb 1.29 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 41.23 3kel h ASP 272 CO 0.58 0.14 0.35 -0.29 -1.61 0.00 0.00 179.24 178.42 3kel h ILE 273 N 0.18 1.05 -0.68 2.25 6.09 -1.99 -0.90 117.51 123.50 3kel h ILE 273 Ca 0.05 -0.20 -0.03 0.00 -1.37 0.00 0.00 64.86 63.31 3kel h ILE 273 Cb 0.03 0.42 -0.03 0.00 0.47 0.00 0.00 36.82 37.71 3kel h ILE 273 CO -0.01 0.11 0.32 -0.07 -3.07 0.00 0.00 178.15 175.43 3kel h LEU 274 N 0.58 0.91 -0.36 2.19 3.38 -1.75 -1.25 115.31 119.01 3kel h LEU 274 Ca 0.21 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3kel h LEU 274 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3kel h LEU 274 CO -0.06 0.80 0.12 0.58 0.09 0.00 0.00 178.44 179.97 3kel h VAL 275 N 0.96 1.20 -1.00 1.22 2.07 -1.28 -1.62 116.25 117.80 3kel h VAL 275 Ca 0.23 -0.66 0.07 0.00 0.82 0.00 0.00 66.70 67.17 3kel h VAL 275 Cb 0.14 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 3kel h VAL 275 CO -0.03 0.23 0.65 1.56 0.02 0.00 0.00 177.57 180.00 3kel h GLN 276 N 0.44 1.12 -0.03 1.57 1.08 -0.80 -0.40 115.11 118.08 3kel h GLN 276 Ca 0.12 -0.07 -0.13 0.00 -1.45 0.00 0.00 58.65 57.12 3kel h GLN 276 Cb 0.24 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 3kel h GLN 276 CO -0.01 0.74 -0.59 -0.91 -0.95 0.00 0.00 178.83 177.11 3kel h ASN 277 N 1.15 0.13 -0.50 1.46 4.21 -0.96 -1.77 115.58 119.31 3kel h ASN 277 Ca 0.44 -0.07 -0.10 0.00 1.21 0.00 0.00 56.30 57.77 3kel h ASN 277 Cb 0.21 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.36 3kel h ASN 277 CO -0.18 0.69 -0.09 0.58 -1.29 0.00 0.00 177.43 177.14 3kel h VAL 278 N 0.09 1.27 -0.60 2.81 2.07 -0.28 -1.72 116.25 119.89 3kel h VAL 278 Ca -0.01 -1.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.24 3kel h VAL 278 Cb 1.07 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 3kel h VAL 278 CO 0.08 0.42 0.17 0.58 0.02 0.00 0.00 177.57 178.85 3kel h VAL 279 N 0.79 1.25 -0.83 2.57 2.07 -0.94 -1.35 116.25 119.81 3kel h VAL 279 Ca 0.13 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.82 3kel h VAL 279 Cb 0.64 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 3kel h VAL 279 CO 0.04 0.32 0.53 0.00 0.02 0.00 0.00 177.57 178.49 3kel h ALA 280 N 1.05 1.09 -0.36 1.67 0.00 -1.09 -0.67 119.26 120.95 3kel h ALA 280 Ca 0.19 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 3kel h ALA 280 Cb 0.32 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kel h ALA 280 CO -0.00 0.35 -0.30 -0.09 0.00 0.00 0.00 179.25 179.21 3kel h ARG 281 N 1.03 0.77 -0.07 0.00 9.65 -0.96 -1.97 114.38 122.83 3kel h ARG 281 Ca 0.33 -0.35 -0.09 0.00 -1.10 0.00 0.00 59.98 58.78 3kel h ARG 281 Cb 0.02 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 3kel h ARG 281 CO -0.12 0.97 -0.36 -0.07 2.80 0.00 0.00 179.97 183.19 3kel h LEU 282 N 0.66 0.14 -0.62 3.80 3.38 -0.65 -1.64 115.31 120.37 3kel h LEU 282 Ca 0.08 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 3kel h LEU 282 Cb 0.83 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3kel h LEU 282 CO 0.07 0.50 -0.60 1.56 0.09 0.00 0.00 178.44 180.06 3kel h GLN 283 N 0.12 0.30 -0.13 1.13 4.20 -0.88 0.22 115.11 120.07 3kel h GLN 283 Ca 0.01 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 3kel h GLN 283 Cb 0.70 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 3kel h GLN 283 CO 0.05 0.81 -0.25 1.96 -0.67 0.00 0.00 178.83 180.73 3kel h GLN 284 N 0.22 0.22 -0.74 1.46 4.20 -0.83 -1.95 115.11 117.69 3kel h GLN 284 Ca -0.01 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3kel h GLN 284 Cb 1.11 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.87 3kel h GLN 284 CO 0.10 0.46 0.00 1.28 -0.67 0.00 0.00 178.83 180.00 3kel n LEU 285 N -4.17 2.49 0.00 1.46 4.32 -0.67 -4.85 117.00 115.58 3kel n LEU 285 Ca -0.01 -1.26 0.00 0.00 -0.02 0.00 0.00 56.01 54.72 3kel n LEU 285 Cb 0.35 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 3kel n LEU 285 CO 0.39 0.38 0.00 0.61 -1.22 0.00 0.00 177.39 177.56 3kel n GLY 286 N 0.35 0.48 3.79 -0.72 0.00 -0.74 -4.98 105.19 103.38 3kel n GLY 286 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3kel n GLY 286 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kel s GLY 287 N -1.42 2.34 0.00 -0.02 0.00 0.69 -3.27 107.32 105.65 3kel s GLY 287 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 44.72 45.26 3kel s GLY 287 CO 0.00 0.87 0.00 0.61 0.00 0.00 0.00 173.10 174.58 3kel n GLY 288 N -0.53 1.75 3.74 0.20 0.00 -0.59 -4.33 105.19 105.43 3kel n GLY 288 Ca 0.09 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 3kel n GLY 288 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kel s GLU 289 N 3.34 4.23 0.11 1.61 2.56 -1.26 -4.70 118.70 124.59 3kel s GLU 289 Ca 0.00 2.37 -0.31 0.00 0.00 0.00 0.00 54.97 57.03 3kel s GLU 289 Cb 0.00 -3.09 -0.07 0.00 2.00 0.00 0.00 34.13 32.96 3kel s GLU 289 CO 0.00 -0.48 1.32 0.00 -0.56 0.00 0.00 175.26 175.54 3kel s ALA 290 N 0.09 3.52 -0.28 6.30 0.00 -1.26 -4.37 121.76 125.76 3kel s ALA 290 Ca 0.61 1.04 -0.04 0.00 0.00 0.00 0.00 51.96 53.57 3kel s ALA 290 Cb -0.43 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.21 3kel s ALA 290 CO 0.43 -0.55 0.01 0.42 0.00 0.00 0.00 175.76 176.08 3kel s ILE 291 N 0.98 3.31 0.06 0.00 1.01 0.34 -4.97 121.20 121.93 3kel s ILE 291 Ca 0.62 -1.03 -0.31 0.00 0.00 0.00 0.00 60.65 59.94 3kel s ILE 291 Cb -0.35 -2.76 -0.06 0.00 0.01 0.00 0.00 42.46 39.31 3kel s ILE 291 CO 0.31 0.05 1.20 -2.84 0.00 0.00 0.00 174.94 173.66 3kel s PRO 292 N 1.37 4.42 0.55 2.79 0.02 -1.26 -1.35 135.00 141.54 3kel s PRO 292 Ca -0.01 1.77 -0.15 0.00 0.02 0.00 0.00 61.00 62.64 3kel s PRO 292 Cb -0.18 -3.36 -0.06 0.00 0.02 0.00 0.00 34.50 30.92 3kel s PRO 292 CO -0.01 -0.27 1.01 -0.51 -0.33 0.00 0.00 177.00 176.88 3kel s LEU 293 N 1.14 3.51 0.36 -5.54 1.43 -0.31 -4.90 118.68 114.37 3kel s LEU 293 Ca 0.59 1.57 -0.27 0.00 -1.03 0.00 0.00 54.13 55.00 3kel s LEU 293 Cb -0.29 -4.50 -0.09 0.00 0.03 0.00 0.00 46.19 41.33 3kel s LEU 293 CO 0.29 -0.75 1.14 -1.61 0.23 0.00 0.00 176.35 175.64 3kel s GLU 294 N -4.33 4.27 0.29 1.70 0.41 -1.26 -4.43 118.70 115.35 3kel s GLU 294 Ca 0.59 1.80 -0.19 0.00 -0.41 0.00 0.00 54.97 56.75 3kel s GLU 294 Cb -0.11 -2.84 0.02 0.00 -1.78 0.00 0.00 34.13 29.42 3kel s GLU 294 CO 0.38 -0.12 0.70 0.20 -0.49 0.00 0.00 175.26 175.93 3kel s GLY 295 N -1.08 0.04 0.04 -1.39 0.00 -1.26 -4.78 107.32 98.89 3kel s GLY 295 Ca 0.53 -0.43 -0.31 0.00 0.00 0.00 0.00 44.72 44.51 3kel s GLY 295 CO 0.39 -0.18 1.94 -2.13 0.00 0.00 0.00 173.10 173.12 3kel n ARG 296 N -0.46 2.77 -2.76 2.90 3.00 -1.26 -4.88 116.66 115.97 3kel n ARG 296 Ca -0.04 1.01 -0.42 0.00 -0.00 0.00 0.00 57.85 58.40 3kel n ARG 296 Cb 0.59 -2.95 -0.03 0.00 0.00 0.00 0.00 32.46 30.08 3kel n ARG 296 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 3kel s GLU 297 N 4.08 4.30 0.12 -0.14 2.12 -1.26 -4.34 118.70 123.58 3kel s GLU 297 Ca 0.88 1.22 -0.15 0.00 0.36 0.00 0.00 54.97 57.28 3kel s GLU 297 Cb -0.48 -3.60 -0.07 0.00 0.26 0.00 0.00 34.13 30.24 3kel s GLU 297 CO 0.42 -0.46 0.54 -1.21 -0.54 0.00 0.00 175.26 174.02 3kel s GLU 298 N 2.60 4.02 0.00 4.30 2.02 -1.26 -4.99 118.70 125.38 3kel s GLU 298 Ca 0.42 0.53 0.00 0.00 0.02 0.00 0.00 54.97 55.95 3kel s GLU 298 Cb -0.16 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.06 3kel s GLU 298 CO 0.11 0.52 0.49 0.27 0.02 0.00 0.00 175.26 176.67 3kel n ASN 299 N 1.04 0.54 -4.75 -0.19 0.23 -1.26 -5.08 115.26 105.79 3kel n ASN 299 Ca -0.07 -1.21 -0.40 0.00 -0.53 0.00 0.00 54.58 52.37 3kel n ASN 299 Cb 0.52 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.16 3kel n ASN 299 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3kel s ILE 300 N -0.21 3.81 -0.01 1.53 -1.09 -1.26 -5.06 121.20 118.91 3kel s ILE 300 Ca 0.00 1.80 -0.01 0.00 -2.23 0.00 0.00 60.65 60.22 3kel s ILE 300 Cb 0.00 -4.15 0.01 0.00 -1.58 0.00 0.00 42.46 36.74 3kel s ILE 300 CO 0.00 0.42 0.03 -0.69 -1.23 0.00 0.00 174.94 173.47 3kel s VAL 301 N -1.10 -0.01 -0.20 2.92 1.01 -1.26 -4.59 120.40 117.17 3kel s VAL 301 Ca 0.43 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.44 3kel s VAL 301 Cb -0.29 -0.05 0.01 0.00 0.00 0.00 0.00 36.38 36.05 3kel s VAL 301 CO 0.36 0.02 -0.14 -0.36 0.00 0.00 0.00 175.10 174.97 3kel s PHE 302 N 0.20 2.87 0.56 5.22 2.99 -1.26 -5.10 117.98 123.45 3kel s PHE 302 Ca -0.02 -1.47 -0.17 0.00 0.00 0.00 0.00 56.93 55.27 3kel s PHE 302 Cb -0.02 -1.98 -0.05 0.00 0.00 0.00 0.00 43.02 40.96 3kel s PHE 302 CO -0.01 -0.73 1.05 -1.21 -0.00 0.00 0.00 175.22 174.32 3kel s GLU 303 N 1.34 3.50 0.62 0.44 2.02 -1.26 -4.60 118.70 120.75 3kel s GLU 303 Ca 0.04 1.23 -0.14 0.00 0.02 0.00 0.00 54.97 56.12 3kel s GLU 303 Cb -0.14 -2.06 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 3kel s GLU 303 CO -0.09 -0.67 1.05 0.14 0.02 0.00 0.00 175.26 175.71 3kel s VAL 304 N -2.34 4.02 0.48 2.63 -7.23 -1.26 -4.98 120.40 111.71 3kel s VAL 304 Ca 0.64 0.84 -0.23 0.00 -1.81 0.00 0.00 61.98 61.41 3kel s VAL 304 Cb -0.16 -3.45 -0.07 0.00 0.56 0.00 0.00 36.38 33.26 3kel s VAL 304 CO 0.32 -0.68 1.31 -2.16 -0.31 0.00 0.00 175.10 173.58 3kel s PRO 305 N -4.45 3.55 0.35 4.82 0.04 -1.26 -4.88 135.00 133.17 3kel s PRO 305 Ca 0.61 2.13 0.13 0.00 0.04 0.00 0.00 61.00 63.90 3kel s PRO 305 Cb -0.14 -2.46 0.95 0.00 0.04 0.00 0.00 34.50 32.89 3kel s PRO 305 CO 0.43 -0.83 1.77 1.57 0.04 0.00 0.00 177.00 179.98 3kel h LYS 306 N 1.99 0.53 0.00 4.56 2.10 -1.99 0.15 116.57 123.91 3kel h LYS 306 Ca -0.50 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 3kel h LYS 306 Cb 1.27 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 3kel h LYS 306 CO 0.60 0.35 0.00 0.39 -2.00 0.00 0.00 179.45 178.79 3kel n GLU 307 N -4.71 0.12 -0.23 0.07 4.71 -1.26 -2.03 120.64 117.31 3kel n GLU 307 Ca 0.25 0.18 0.07 0.00 -0.01 0.00 0.00 57.16 57.64 3kel n GLU 307 Cb 0.74 -1.50 0.10 0.00 -1.01 0.00 0.00 31.44 29.77 3kel n GLU 307 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3kel n LEU 308 N -1.24 1.59 0.00 -4.62 4.77 0.54 -5.08 117.00 112.97 3kel n LEU 308 Ca 0.04 -2.43 0.11 0.00 -0.03 0.00 0.00 56.01 53.71 3kel n LEU 308 Cb 0.05 -0.29 0.68 0.00 -2.33 0.00 0.00 43.42 41.53 3kel n LEU 308 CO 0.05 0.57 0.87 0.54 -1.33 0.00 0.00 177.39 178.09