#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1u n PHE 2 N 0.00 -2.28 -3.39 0.00 3.72 -1.26 -4.49 117.46 109.77 1o1u n PHE 2 Ca 0.00 0.74 -0.03 0.00 -0.05 0.00 0.00 57.45 58.11 1o1u n PHE 2 Cb 0.00 -3.57 -0.05 0.00 -0.94 0.00 0.00 39.48 34.92 1o1u n PHE 2 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1o1u s THR 3 N -3.25 -0.82 -3.51 4.37 2.01 -1.26 -1.98 115.64 111.19 1o1u s THR 3 Ca 0.27 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.28 1o1u s THR 3 Cb -0.08 -0.89 0.00 0.00 0.01 0.00 0.00 72.50 71.54 1o1u s THR 3 CO 0.83 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.34 1o1u n GLY 4 N 5.41 -0.54 3.31 4.40 0.00 0.10 -4.96 105.19 112.91 1o1u n GLY 4 Ca -0.05 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 44.94 1o1u n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1o1u s LYS 5 N -1.40 1.21 0.21 1.61 0.00 -1.26 -1.47 119.74 118.64 1o1u s LYS 5 Ca 0.00 -1.38 -0.16 0.00 0.00 0.00 0.00 55.97 54.43 1o1u s LYS 5 Cb 0.00 -1.19 0.02 0.00 0.00 0.00 0.00 37.83 36.66 1o1u s LYS 5 CO 0.00 0.23 0.52 -0.06 0.00 0.00 0.00 175.35 176.05 1o1u s PHE 6 N -2.16 -0.01 0.01 1.78 0.40 0.38 -3.39 117.98 114.99 1o1u s PHE 6 Ca 0.14 -0.35 -0.08 0.00 -0.60 0.00 0.00 56.93 56.04 1o1u s PHE 6 Cb -0.05 0.36 0.00 0.00 0.51 0.00 0.00 43.02 43.84 1o1u s PHE 6 CO 0.06 -0.95 0.15 -1.83 0.70 0.00 0.00 175.22 173.34 1o1u s GLU 7 N -3.91 0.51 -0.00 0.44 -1.05 -0.85 -0.83 118.70 113.01 1o1u s GLU 7 Ca 0.12 -0.43 -0.02 0.00 -0.15 0.00 0.00 54.97 54.50 1o1u s GLU 7 Cb -0.01 0.21 -0.04 0.00 -0.44 0.00 0.00 34.13 33.85 1o1u s GLU 7 CO 0.01 -0.13 0.15 1.41 0.95 0.00 0.00 175.26 177.65 1o1u s MET 8 N -1.54 3.29 0.00 -4.83 -2.45 -0.52 -2.41 119.30 110.84 1o1u s MET 8 Ca -0.14 -0.40 0.00 0.00 -1.25 0.00 0.00 55.69 53.91 1o1u s MET 8 Cb -0.07 -3.00 0.00 0.00 1.25 0.00 0.00 34.83 33.01 1o1u s MET 8 CO 0.01 0.66 0.00 -0.85 1.05 0.00 0.00 175.02 175.89 1o1u n GLU 9 N 0.97 0.00 0.25 4.11 -0.00 -1.26 -4.03 120.64 120.68 1o1u n GLU 9 Ca -0.11 0.00 -0.11 0.00 -0.00 0.00 0.00 57.16 56.94 1o1u n GLU 9 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 31.44 31.91 1o1u n GLU 9 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1o1u h SER 10 N 0.00 -0.60 -3.34 -1.84 0.02 -1.94 -3.50 113.55 102.36 1o1u h SER 10 Ca 0.00 0.02 0.38 0.00 -0.84 0.00 0.00 61.79 61.35 1o1u h SER 10 Cb 0.00 0.15 -0.13 0.00 0.14 0.00 0.00 62.40 62.57 1o1u h SER 10 CO 0.00 -0.19 -0.76 -0.62 -1.14 0.00 0.00 176.83 174.12 1o1u n GLU 11 N -5.24 -3.06 0.00 3.45 1.02 -1.26 -5.04 120.64 110.50 1o1u n GLU 11 Ca -0.09 2.19 0.00 0.00 -0.02 0.00 0.00 57.16 59.24 1o1u n GLU 11 Cb 0.28 -3.69 0.00 0.00 -0.02 0.00 0.00 31.44 28.01 1o1u n GLU 11 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1o1u n LYS 12 N -4.29 0.00 0.13 3.49 4.81 -1.10 -4.89 118.16 116.31 1o1u n LYS 12 Ca -0.02 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.54 1o1u n LYS 12 Cb 0.68 0.00 0.20 0.00 0.02 0.00 0.00 35.03 35.93 1o1u n LYS 12 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1o1u h ASN 13 N 0.00 0.00 0.00 3.14 -0.73 -1.81 -3.42 115.58 112.76 1o1u h ASN 13 Ca 0.00 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.12 1o1u h ASN 13 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1o1u h ASN 13 CO 0.00 0.03 0.00 0.00 -0.37 0.00 0.00 177.43 177.09 1o1u n TYR 14 N -2.56 0.00 0.07 0.67 9.36 -1.26 -1.07 117.16 122.36 1o1u n TYR 14 Ca 0.04 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.13 1o1u n TYR 14 Cb 0.49 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.14 1o1u n TYR 14 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1o1u h ASP 15 N 0.00 -0.95 0.10 2.98 3.32 -2.00 0.18 116.42 120.06 1o1u h ASP 15 Ca 0.00 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1o1u h ASP 15 Cb 0.00 0.38 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1o1u h ASP 15 CO 0.00 -0.39 -0.05 -0.33 -1.72 0.00 0.00 179.24 176.76 1o1u h GLU 16 N -0.48 -0.13 -1.08 3.56 5.08 -1.49 -1.63 114.58 118.42 1o1u h GLU 16 Ca 0.06 0.01 0.34 0.00 -1.00 0.00 0.00 59.36 58.76 1o1u h GLU 16 Cb 0.56 0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.70 1o1u h GLU 16 CO -0.26 0.10 0.65 0.35 -1.00 0.00 0.00 179.01 178.85 1o1u h PHE 17 N -0.34 0.80 -0.04 4.33 3.57 -1.44 0.37 116.94 124.18 1o1u h PHE 17 Ca -0.01 0.03 -0.23 0.00 3.53 0.00 0.00 57.97 61.29 1o1u h PHE 17 Cb 0.29 -0.21 0.01 0.00 2.79 0.00 0.00 35.95 38.82 1o1u h PHE 17 CO -0.00 -0.14 -0.91 0.52 -2.23 0.00 0.00 178.31 175.54 1o1u h MET 18 N 0.29 0.56 -0.89 1.11 2.86 -0.56 -2.76 114.93 115.54 1o1u h MET 18 Ca 0.73 -0.55 0.16 0.00 -2.06 0.00 0.00 59.70 57.98 1o1u h MET 18 Cb 1.84 0.14 -0.07 0.00 0.06 0.00 0.00 31.60 33.57 1o1u h MET 18 CO -0.51 1.17 0.58 1.57 1.06 0.00 0.00 176.91 180.78 1o1u h LYS 19 N 0.34 0.59 0.22 1.72 2.10 0.68 0.13 116.57 122.35 1o1u h LYS 19 Ca -0.08 -0.04 -0.33 0.00 -2.00 0.00 0.00 60.65 58.20 1o1u h LYS 19 Cb 1.54 -0.13 0.04 0.00 -0.90 0.00 0.00 32.23 32.78 1o1u h LYS 19 CO 0.17 0.39 -1.42 -0.07 -2.00 0.00 0.00 179.45 176.52 1o1u h LEU 20 N 0.60 0.87 -0.99 7.07 3.38 -1.36 -2.89 115.31 121.98 1o1u h LEU 20 Ca 0.46 -0.89 0.14 0.00 0.09 0.00 0.00 57.88 57.67 1o1u h LEU 20 Cb 0.85 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.23 1o1u h LEU 20 CO -0.20 1.69 0.61 -0.07 0.09 0.00 0.00 178.44 180.56 1o1u h LEU 21 N 0.19 0.87 0.00 1.67 3.38 -1.10 -3.46 115.31 116.85 1o1u h LEU 21 Ca -0.24 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1o1u h LEU 21 Cb 2.11 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1o1u h LEU 21 CO 0.27 0.43 0.00 0.61 0.09 0.00 0.00 178.44 179.84 1o1u n GLY 22 N -1.34 0.75 3.80 0.83 0.00 0.40 -5.03 105.19 104.61 1o1u n GLY 22 Ca 0.20 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 1o1u n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o1u s ILE 23 N -1.42 4.51 0.42 -0.61 -1.09 -1.06 -5.04 121.20 116.90 1o1u s ILE 23 Ca 0.00 -1.07 -0.20 0.00 -2.23 0.00 0.00 60.65 57.15 1o1u s ILE 23 Cb 0.00 -3.30 -0.11 0.00 -1.58 0.00 0.00 42.46 37.48 1o1u s ILE 23 CO 0.00 -0.11 0.92 -0.94 -1.23 0.00 0.00 174.94 173.58 1o1u s SER 24 N -3.10 6.90 0.27 3.58 1.04 -1.26 -4.76 113.70 116.37 1o1u s SER 24 Ca 0.31 1.62 -0.03 0.00 0.48 0.00 0.00 55.95 58.33 1o1u s SER 24 Cb -0.10 -2.51 0.36 0.00 0.10 0.00 0.00 66.02 63.87 1o1u s SER 24 CO 0.23 -0.35 1.86 0.77 0.98 0.00 0.00 173.24 176.73 1o1u h SER 25 N 1.91 0.89 -0.11 7.02 4.64 -1.99 -0.55 113.55 125.36 1o1u h SER 25 Ca -0.49 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 60.69 1o1u h SER 25 Cb 1.18 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1o1u h SER 25 CO 0.62 0.79 -0.00 0.44 -0.87 0.00 0.00 176.83 177.80 1o1u h ASP 26 N 0.96 0.27 0.43 4.97 5.19 -2.01 -2.03 116.42 124.21 1o1u h ASP 26 Ca 0.23 -0.03 -0.30 0.00 -0.62 0.00 0.00 57.03 56.30 1o1u h ASP 26 Cb 0.16 -0.07 -0.05 0.00 0.18 0.00 0.00 39.33 39.56 1o1u h ASP 26 CO -0.02 0.32 -1.77 1.33 -3.12 0.00 0.00 179.24 175.98 1o1u n VAL 27 N -4.37 1.62 0.20 -1.35 0.24 -1.02 -3.77 118.33 109.89 1o1u n VAL 27 Ca -0.00 -0.78 -0.14 0.00 -2.04 0.00 0.00 64.34 61.38 1o1u n VAL 27 Cb 0.19 -1.09 -0.08 0.00 -1.47 0.00 0.00 33.84 31.39 1o1u n VAL 27 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1o1u h ILE 28 N 0.01 0.00 -0.99 1.34 2.04 -0.77 0.45 117.51 119.58 1o1u h ILE 28 Ca -0.31 0.00 0.27 0.00 1.00 0.00 0.00 64.86 65.82 1o1u h ILE 28 Cb 2.03 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.97 1o1u h ILE 28 CO 0.08 0.00 0.56 1.05 0.00 0.00 0.00 178.15 179.84 1o1u h GLU 29 N -0.74 0.45 0.12 2.37 4.11 -1.55 -0.73 114.58 118.61 1o1u h GLU 29 Ca -0.04 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 1o1u h GLU 29 Cb 0.66 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1o1u h GLU 29 CO -0.07 0.30 -0.06 0.87 0.07 0.00 0.00 179.01 180.11 1o1u h LYS 30 N 0.46 -0.16 -1.20 1.06 1.57 -1.50 -0.59 116.57 116.21 1o1u h LYS 30 Ca 0.67 0.01 0.35 0.00 -1.87 0.00 0.00 60.65 59.81 1o1u h LYS 30 Cb 1.38 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 33.64 1o1u h LYS 30 CO -0.53 0.24 0.81 0.00 -0.57 0.00 0.00 179.45 179.40 1o1u h ALA 31 N 0.18 2.70 0.03 3.86 0.00 0.63 0.95 119.26 127.61 1o1u h ALA 31 Ca -0.02 0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.59 1o1u h ALA 31 Cb 0.47 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1o1u h ALA 31 CO 0.03 -1.15 -2.04 2.89 0.00 0.00 0.00 179.25 178.98 1o1u n ARG 32 N -4.48 0.68 0.20 0.00 -4.01 -1.12 -4.09 116.66 103.83 1o1u n ARG 32 Ca 0.29 0.19 -0.15 0.00 -1.04 0.00 0.00 57.85 57.15 1o1u n ARG 32 Cb 1.18 -1.67 -0.08 0.00 -3.04 0.00 0.00 32.46 28.85 1o1u n ARG 32 CO 0.00 0.00 0.00 -0.91 -3.04 0.00 0.00 177.63 173.68 1o1u h ASN 33 N 0.02 -0.45 -4.02 2.89 4.21 0.74 -3.41 115.58 115.55 1o1u h ASN 33 Ca -0.42 0.03 -0.49 0.00 1.21 0.00 0.00 56.30 56.63 1o1u h ASN 33 Cb 2.06 0.13 0.02 0.00 -1.12 0.00 0.00 38.32 39.42 1o1u h ASN 33 CO 0.05 -0.30 0.28 0.72 -1.29 0.00 0.00 177.43 176.89 1o1u s PHE 34 N -6.11 3.51 -0.63 1.19 -0.12 0.06 -4.99 117.98 110.89 1o1u s PHE 34 Ca -0.15 1.24 -0.20 0.00 -0.05 0.00 0.00 56.93 57.76 1o1u s PHE 34 Cb 0.05 -2.63 0.09 0.00 -0.63 0.00 0.00 43.02 39.91 1o1u s PHE 34 CO 0.64 -0.35 0.82 0.15 -0.05 0.00 0.00 175.22 176.43 1o1u s LYS 35 N -4.31 3.08 0.26 1.99 3.01 -1.26 -4.73 119.74 117.78 1o1u s LYS 35 Ca 0.55 -1.14 -0.31 0.00 -1.01 0.00 0.00 55.97 54.06 1o1u s LYS 35 Cb -0.10 -4.26 -0.12 0.00 -1.01 0.00 0.00 37.83 32.33 1o1u s LYS 35 CO 0.38 -1.66 1.61 -0.89 0.51 0.00 0.00 175.35 175.29 1o1u n ILE 36 N 5.69 0.68 -3.36 2.17 5.41 -1.26 -4.69 119.36 124.01 1o1u n ILE 36 Ca -0.06 -0.17 -0.31 0.00 1.00 0.00 0.00 62.75 63.21 1o1u n ILE 36 Cb 0.44 -1.89 -0.05 0.00 -0.71 0.00 0.00 39.64 37.44 1o1u n ILE 36 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1o1u s VAL 37 N 0.35 4.95 -0.02 1.39 1.01 0.76 -1.44 120.40 127.39 1o1u s VAL 37 Ca 0.68 0.36 0.02 0.00 0.00 0.00 0.00 61.98 63.04 1o1u s VAL 37 Cb -0.53 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.21 1o1u s VAL 37 CO 0.44 -0.17 -0.06 -0.89 0.00 0.00 0.00 175.10 174.42 1o1u s THR 38 N -1.93 0.53 0.14 3.92 2.01 -0.01 -0.45 115.64 119.84 1o1u s THR 38 Ca 0.47 -0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.30 1o1u s THR 38 Cb -0.11 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 1o1u s THR 38 CO 0.24 0.19 -0.07 -1.83 -0.69 0.00 0.00 174.62 172.46 1o1u s GLU 39 N 0.39 1.00 -0.03 4.92 4.04 -0.56 0.14 118.70 128.61 1o1u s GLU 39 Ca -0.05 -1.43 -0.06 0.00 0.04 0.00 0.00 54.97 53.47 1o1u s GLU 39 Cb -0.09 -0.44 0.01 0.00 0.02 0.00 0.00 34.13 33.63 1o1u s GLU 39 CO -0.00 0.01 0.14 0.08 -1.84 0.00 0.00 175.26 173.65 1o1u s VAL 40 N -3.47 0.04 -0.38 1.83 1.01 -0.54 -1.42 120.40 117.48 1o1u s VAL 40 Ca 0.16 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1o1u s VAL 40 Cb 0.04 -0.32 0.15 0.00 0.00 0.00 0.00 36.38 36.25 1o1u s VAL 40 CO -0.00 -0.19 0.27 -1.10 0.00 0.00 0.00 175.10 174.07 1o1u s GLN 41 N -0.66 0.73 0.62 2.72 -0.21 -1.12 -0.72 119.66 121.02 1o1u s GLN 41 Ca -0.07 -1.67 -0.19 0.00 0.02 0.00 0.00 55.36 53.45 1o1u s GLN 41 Cb -0.04 -1.39 -0.02 0.00 1.00 0.00 0.00 33.01 32.55 1o1u s GLN 41 CO 0.01 -1.28 1.26 -1.14 -2.12 0.00 0.00 175.29 172.02 1o1u s GLN 42 N 0.63 2.77 -0.42 2.91 -0.44 -0.84 -2.82 119.66 121.45 1o1u s GLN 42 Ca 0.24 1.97 0.08 0.00 -2.50 0.00 0.00 55.36 55.14 1o1u s GLN 42 Cb -0.12 -1.90 0.26 0.00 -1.64 0.00 0.00 33.01 29.60 1o1u s GLN 42 CO -0.07 -1.40 0.66 -3.47 0.50 0.00 0.00 175.29 171.50 1o1u n ASP 43 N -1.72 -0.78 0.00 6.67 2.03 -0.18 -4.87 116.55 117.70 1o1u n ASP 43 Ca 0.15 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.53 1o1u n ASP 43 Cb 0.49 0.18 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 1o1u n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1o1u n GLY 44 N 1.38 -0.23 0.44 0.27 0.00 -1.26 -2.93 105.19 102.86 1o1u n GLY 44 Ca 0.17 -1.06 0.27 0.00 0.00 0.00 0.00 46.02 45.40 1o1u n GLY 44 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1o1u h GLN 45 N 0.00 0.27 -6.96 1.61 4.15 -1.98 -3.39 115.11 108.81 1o1u h GLN 45 Ca 0.00 -0.02 -0.47 0.00 0.77 0.00 0.00 58.65 58.93 1o1u h GLN 45 Cb 0.00 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1o1u h GLN 45 CO 0.00 0.18 0.38 0.34 -1.93 0.00 0.00 178.83 177.80 1o1u s ASP 46 N -5.15 6.92 0.29 -0.69 2.15 -1.15 -1.95 116.67 117.09 1o1u s ASP 46 Ca -0.08 1.92 0.10 0.00 0.43 0.00 0.00 52.55 54.92 1o1u s ASP 46 Cb 0.25 -2.57 -0.06 0.00 -0.30 0.00 0.00 42.92 40.24 1o1u s ASP 46 CO 0.80 -0.37 -0.13 -0.36 -0.17 0.00 0.00 175.17 174.94 1o1u s PHE 47 N -1.76 2.19 -0.46 -5.34 0.40 0.22 -1.01 117.98 112.22 1o1u s PHE 47 Ca 0.57 -0.48 0.07 0.00 -0.60 0.00 0.00 56.93 56.49 1o1u s PHE 47 Cb -0.18 -1.11 0.23 0.00 0.51 0.00 0.00 43.02 42.46 1o1u s PHE 47 CO 0.24 0.55 0.52 0.25 0.70 0.00 0.00 175.22 177.47 1o1u n THR 48 N -0.64 -0.16 -1.95 0.64 -2.24 -1.13 -3.31 114.28 105.49 1o1u n THR 48 Ca -0.05 -4.14 -0.30 0.00 -2.27 0.00 0.00 64.05 57.29 1o1u n THR 48 Cb 0.62 -1.93 0.03 0.00 -2.10 0.00 0.00 70.33 66.95 1o1u n THR 48 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1o1u s TRP 49 N -1.14 3.47 0.06 4.78 -0.11 -1.21 -2.79 118.94 122.00 1o1u s TRP 49 Ca 0.35 1.12 -0.17 0.00 1.22 0.00 0.00 56.10 58.62 1o1u s TRP 49 Cb 0.12 -2.85 0.03 0.00 -1.50 0.00 0.00 33.47 29.28 1o1u s TRP 49 CO -0.12 -0.89 0.38 -1.12 -4.62 0.00 0.00 176.95 170.59 1o1u s SER 50 N -4.26 -0.23 -0.36 5.86 0.01 -0.50 -3.31 113.70 110.90 1o1u s SER 50 Ca 0.56 -0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.71 1o1u s SER 50 Cb -0.11 0.42 0.11 0.00 0.21 0.00 0.00 66.02 66.66 1o1u s SER 50 CO 0.52 -0.70 0.15 -1.10 0.41 0.00 0.00 173.24 172.52 1o1u s GLN 51 N -2.82 1.03 -0.08 12.44 -0.21 0.03 -1.49 119.66 128.55 1o1u s GLN 51 Ca -0.03 -1.53 -0.25 0.00 0.02 0.00 0.00 55.36 53.57 1o1u s GLN 51 Cb -0.00 -2.26 -0.03 0.00 1.00 0.00 0.00 33.01 31.71 1o1u s GLN 51 CO -0.05 -1.05 0.77 -1.01 -2.12 0.00 0.00 175.29 171.83 1o1u s HIS 52 N 1.04 3.55 0.00 0.91 3.76 0.40 -1.72 115.29 123.23 1o1u s HIS 52 Ca 0.13 1.31 0.00 0.00 -0.15 0.00 0.00 55.06 56.35 1o1u s HIS 52 Cb -0.20 -2.89 0.00 0.00 1.11 0.00 0.00 32.58 30.59 1o1u s HIS 52 CO -0.13 -0.00 0.00 0.66 -0.85 0.00 0.00 174.74 174.42 1o1u n TYR 53 N 4.14 0.00 0.09 1.40 4.02 -1.14 -0.17 117.16 125.50 1o1u n TYR 53 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1o1u n TYR 53 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 1o1u n TYR 53 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1o1u n SER 54 N -0.09 -1.55 0.06 7.72 7.64 -1.26 -4.05 113.62 122.09 1o1u n SER 54 Ca 0.00 0.54 -0.03 0.00 1.01 0.00 0.00 58.87 60.39 1o1u n SER 54 Cb 0.00 1.70 -0.01 0.00 -1.01 0.00 0.00 64.21 64.88 1o1u n SER 54 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1o1u h GLY 55 N 0.00 -0.21 -5.00 0.23 0.00 -2.03 -3.46 103.07 92.59 1o1u h GLY 55 Ca 0.00 0.08 -0.17 0.00 0.00 0.00 0.00 47.33 47.24 1o1u h GLY 55 CO 0.00 -0.08 -0.19 0.61 0.00 0.00 0.00 176.54 176.88 1o1u n GLY 56 N 0.96 -0.45 2.37 4.60 0.00 -1.26 -5.05 105.19 106.36 1o1u n GLY 56 Ca -0.03 0.44 -0.20 0.00 0.00 0.00 0.00 46.02 46.23 1o1u n GLY 56 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1o1u n HIS 57 N 0.48 -1.26 -2.41 1.61 -0.00 -1.26 -5.05 115.22 107.33 1o1u n HIS 57 Ca 0.00 -3.03 -0.39 0.00 -0.00 0.00 0.00 57.72 54.30 1o1u n HIS 57 Cb 0.73 0.25 -0.03 0.00 -0.00 0.00 0.00 29.99 30.93 1o1u n HIS 57 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1o1u s THR 58 N -0.43 3.68 0.62 3.57 2.01 -1.26 -2.87 115.64 120.96 1o1u s THR 58 Ca 0.34 -0.05 -0.12 0.00 0.31 0.00 0.00 61.69 62.16 1o1u s THR 58 Cb 0.14 -4.69 -0.03 0.00 0.01 0.00 0.00 72.50 67.93 1o1u s THR 58 CO -0.15 -1.61 1.04 -0.32 -0.69 0.00 0.00 174.62 172.88 1o1u s MET 59 N 5.89 3.41 0.03 4.92 0.00 -0.70 -4.89 119.30 127.96 1o1u s MET 59 Ca 0.48 0.91 -0.04 0.00 0.00 0.00 0.00 55.69 57.04 1o1u s MET 59 Cb -0.06 -2.05 -0.01 0.00 0.00 0.00 0.00 34.83 32.70 1o1u s MET 59 CO 0.07 -0.72 0.06 0.99 0.00 0.00 0.00 175.02 175.42 1o1u s THR 60 N -2.95 0.13 -0.55 10.11 2.01 -1.26 -0.79 115.64 122.34 1o1u s THR 60 Ca 0.58 -1.07 0.07 0.00 0.31 0.00 0.00 61.69 61.57 1o1u s THR 60 Cb -0.12 -0.74 0.25 0.00 0.01 0.00 0.00 72.50 71.89 1o1u s THR 60 CO 0.48 -0.59 0.67 0.59 -0.69 0.00 0.00 174.62 175.08 1o1u n ASN 61 N 0.99 2.47 -4.80 3.53 4.13 -1.21 -3.91 115.26 116.46 1o1u n ASN 61 Ca -0.20 -3.18 -0.35 0.00 1.68 0.00 0.00 54.58 52.53 1o1u n ASN 61 Cb 0.57 -0.66 -0.05 0.00 -1.54 0.00 0.00 39.78 38.11 1o1u n ASN 61 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1o1u s LYS 62 N -2.03 4.15 0.08 3.52 -2.85 -1.26 -3.33 119.74 118.02 1o1u s LYS 62 Ca 0.38 1.31 -0.27 0.00 -1.00 0.00 0.00 55.97 56.40 1o1u s LYS 62 Cb 0.16 -2.34 0.08 0.00 -2.06 0.00 0.00 37.83 33.68 1o1u s LYS 62 CO -0.05 -0.12 1.05 -0.59 0.10 0.00 0.00 175.35 175.75 1o1u s PHE 63 N -1.91 -0.12 -0.06 1.78 -0.12 -1.21 -4.78 117.98 111.56 1o1u s PHE 63 Ca 0.61 -0.11 0.02 0.00 -0.05 0.00 0.00 56.93 57.40 1o1u s PHE 63 Cb -0.16 0.60 0.01 0.00 -0.63 0.00 0.00 43.02 42.85 1o1u s PHE 63 CO 0.20 -0.64 -0.12 0.99 -0.05 0.00 0.00 175.22 175.60 1o1u s THR 64 N -3.01 1.12 0.32 -4.49 2.01 -1.26 -0.61 115.64 109.71 1o1u s THR 64 Ca 0.12 -0.47 -0.17 0.00 0.31 0.00 0.00 61.69 61.49 1o1u s THR 64 Cb 0.00 -1.02 -0.09 0.00 0.01 0.00 0.00 72.50 71.40 1o1u s THR 64 CO -0.00 0.35 0.77 0.68 -0.69 0.00 0.00 174.62 175.73 1o1u s VAL 65 N 0.67 4.61 -1.38 3.82 -7.23 -0.83 -2.84 120.40 117.23 1o1u s VAL 65 Ca -0.14 1.10 0.00 0.00 -1.81 0.00 0.00 61.98 61.12 1o1u s VAL 65 Cb -0.16 -3.66 0.00 0.00 0.56 0.00 0.00 36.38 33.12 1o1u s VAL 65 CO 0.04 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 1o1u n GLY 66 N -0.21 1.28 0.21 2.32 0.00 0.11 -4.83 105.19 104.08 1o1u n GLY 66 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1o1u n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1o1u n LYS 67 N -1.55 0.00 -1.74 1.61 4.81 -1.13 -5.08 118.16 115.09 1o1u n LYS 67 Ca -0.13 -0.56 0.00 0.00 -0.87 0.00 0.00 58.31 56.76 1o1u n LYS 67 Cb 0.56 -0.39 0.00 0.00 0.02 0.00 0.00 35.03 35.22 1o1u n LYS 67 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1o1u n GLU 68 N 0.00 -4.94 -3.53 1.64 2.13 -1.24 -4.92 120.64 109.77 1o1u n GLU 68 Ca 0.00 3.69 -0.09 0.00 0.66 0.00 0.00 57.16 61.42 1o1u n GLU 68 Cb 0.57 -4.19 -0.03 0.00 0.27 0.00 0.00 31.44 28.06 1o1u n GLU 68 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1o1u s SER 69 N -3.71 -0.36 0.32 4.31 0.01 -0.97 -4.62 113.70 108.68 1o1u s SER 69 Ca 0.00 0.13 -0.26 0.00 1.31 0.00 0.00 55.95 57.13 1o1u s SER 69 Cb 0.00 0.35 -0.10 0.00 0.21 0.00 0.00 66.02 66.48 1o1u s SER 69 CO 0.00 -0.52 0.98 0.54 0.41 0.00 0.00 173.24 174.65 1o1u s ASN 70 N -2.04 7.26 0.01 2.44 2.20 -1.26 -2.50 114.94 121.05 1o1u s ASN 70 Ca 0.03 1.92 0.01 0.00 -0.94 0.00 0.00 52.86 53.88 1o1u s ASN 70 Cb -0.01 -2.59 -0.01 0.00 -2.00 0.00 0.00 41.25 36.64 1o1u s ASN 70 CO -0.05 -0.13 -0.03 -0.63 -2.94 0.00 0.00 177.10 173.32 1o1u s ILE 71 N -1.54 0.18 0.04 0.54 1.01 -0.49 -4.83 121.20 116.10 1o1u s ILE 71 Ca 0.50 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.74 1o1u s ILE 71 Cb -0.21 -0.23 -0.25 0.00 0.01 0.00 0.00 42.46 41.79 1o1u s ILE 71 CO 0.27 -0.17 0.99 1.56 0.00 0.00 0.00 174.94 177.58 1o1u h GLN 72 N 5.47 0.12 0.00 2.79 1.08 -1.82 -2.47 115.11 120.29 1o1u h GLN 72 Ca -0.29 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 1o1u h GLN 72 Cb 1.21 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 1o1u h GLN 72 CO 0.47 0.97 0.00 0.25 -0.95 0.00 0.00 178.83 179.57 1o1u n THR 73 N -3.35 0.00 -0.08 -0.54 -2.24 -1.26 -3.32 114.28 103.48 1o1u n THR 73 Ca -0.10 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.52 1o1u n THR 73 Cb 1.01 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.19 1o1u n THR 73 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1o1u n MET 74 N 0.00 0.44 0.00 -0.78 0.00 -1.26 -5.04 117.12 110.48 1o1u n MET 74 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 57.70 57.88 1o1u n MET 74 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 33.22 31.97 1o1u n MET 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1o1u n GLY 75 N 1.77 -1.81 0.12 -5.12 0.00 -1.21 -4.94 105.19 94.00 1o1u n GLY 75 Ca -0.27 0.76 0.12 0.00 0.00 0.00 0.00 46.02 46.64 1o1u n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o1u n GLY 76 N 0.00 -1.44 2.51 -0.02 0.00 -1.26 -3.90 105.19 101.07 1o1u n GLY 76 Ca 0.00 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1o1u n GLY 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1o1u n LYS 77 N -2.25 4.57 -1.39 1.61 4.76 -1.26 -5.00 118.16 119.19 1o1u n LYS 77 Ca 0.03 -3.58 -0.33 0.00 -2.87 0.00 0.00 58.31 51.56 1o1u n LYS 77 Cb 0.31 -2.57 0.09 0.00 -1.84 0.00 0.00 35.03 31.02 1o1u n LYS 77 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1o1u s THR 78 N -1.81 2.73 0.27 -0.18 -1.32 -1.25 -4.53 115.64 109.55 1o1u s THR 78 Ca 0.52 0.31 -0.08 0.00 -1.21 0.00 0.00 61.69 61.23 1o1u s THR 78 Cb 0.20 -2.77 -0.01 0.00 -1.51 0.00 0.00 72.50 68.42 1o1u s THR 78 CO -0.11 -0.24 0.43 -0.36 -2.21 0.00 0.00 174.62 172.13 1o1u s PHE 79 N -2.35 0.70 0.10 9.09 0.08 -0.93 -5.04 117.98 119.64 1o1u s PHE 79 Ca 0.69 -1.01 0.04 0.00 0.12 0.00 0.00 56.93 56.77 1o1u s PHE 79 Cb -0.23 0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.18 1o1u s PHE 79 CO 0.48 -1.00 0.04 0.21 -0.10 0.00 0.00 175.22 174.84 1o1u s LYS 80 N -3.68 2.67 0.28 0.44 2.20 -1.26 -1.40 119.74 118.99 1o1u s LYS 80 Ca 0.27 -0.82 -0.19 0.00 -0.36 0.00 0.00 55.97 54.88 1o1u s LYS 80 Cb 0.00 -2.59 0.02 0.00 -1.51 0.00 0.00 37.83 33.75 1o1u s LYS 80 CO 0.13 0.53 0.68 0.00 -0.36 0.00 0.00 175.35 176.33 1o1u s ALA 81 N -1.42 -0.96 -0.41 3.13 0.00 -1.04 -4.20 121.76 116.86 1o1u s ALA 81 Ca 0.28 -0.47 -0.04 0.00 0.00 0.00 0.00 51.96 51.72 1o1u s ALA 81 Cb -0.11 0.88 0.11 0.00 0.00 0.00 0.00 23.12 23.99 1o1u s ALA 81 CO 0.20 -1.00 0.21 0.99 0.00 0.00 0.00 175.76 176.17 1o1u s THR 82 N -3.78 3.44 0.40 0.00 2.01 -1.20 -2.30 115.64 114.20 1o1u s THR 82 Ca 0.14 -1.95 -0.25 0.00 0.31 0.00 0.00 61.69 59.94 1o1u s THR 82 Cb -0.05 -3.31 -0.09 0.00 0.01 0.00 0.00 72.50 69.07 1o1u s THR 82 CO 0.08 -0.66 1.11 -0.69 -0.69 0.00 0.00 174.62 173.77 1o1u s VAL 83 N 1.19 3.43 0.30 3.82 1.01 -1.26 -3.78 120.40 125.11 1o1u s VAL 83 Ca 0.07 1.14 0.05 0.00 0.00 0.00 0.00 61.98 63.25 1o1u s VAL 83 Cb -0.23 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1o1u s VAL 83 CO -0.03 0.06 0.19 0.00 0.00 0.00 0.00 175.10 175.32 1o1u n GLN 84 N -0.00 0.45 -4.44 2.72 6.02 0.11 0.09 117.38 122.33 1o1u n GLN 84 Ca 0.05 -2.83 -0.21 0.00 -0.01 0.00 0.00 57.00 54.00 1o1u n GLN 84 Cb 0.48 2.01 -0.10 0.00 1.02 0.00 0.00 30.24 33.65 1o1u n GLN 84 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1o1u s MET 85 N -3.20 1.64 -0.41 -1.09 -1.94 -1.26 -0.78 119.30 112.27 1o1u s MET 85 Ca 0.27 -1.92 0.10 0.00 -1.71 0.00 0.00 55.69 52.43 1o1u s MET 85 Cb 0.01 -0.75 0.35 0.00 2.01 0.00 0.00 34.83 36.46 1o1u s MET 85 CO 0.19 -0.23 0.98 -0.85 -0.01 0.00 0.00 175.02 175.10 1o1u n GLU 86 N -0.68 1.03 0.00 2.03 0.28 0.07 -4.79 120.64 118.59 1o1u n GLU 86 Ca -0.02 -2.59 0.00 0.00 -0.16 0.00 0.00 57.16 54.39 1o1u n GLU 86 Cb 0.66 -1.20 0.00 0.00 1.43 0.00 0.00 31.44 32.34 1o1u n GLU 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1o1u n GLY 87 N 0.18 1.40 2.36 -1.84 0.00 -1.26 -3.93 105.19 102.11 1o1u n GLY 87 Ca 0.12 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 1o1u n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o1u n GLY 88 N 0.00 5.95 3.48 -0.02 0.00 -1.26 -4.97 105.19 108.37 1o1u n GLY 88 Ca 0.00 -2.44 -0.14 0.00 0.00 0.00 0.00 46.02 43.44 1o1u n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o1u s LYS 89 N -3.80 1.10 0.16 1.61 2.20 -1.25 -4.11 119.74 115.64 1o1u s LYS 89 Ca 0.59 -0.15 0.10 0.00 -0.36 0.00 0.00 55.97 56.15 1o1u s LYS 89 Cb 0.47 0.51 -0.04 0.00 -1.51 0.00 0.00 37.83 37.26 1o1u s LYS 89 CO -0.07 -0.43 -0.20 -1.17 -0.36 0.00 0.00 175.35 173.12 1o1u s LEU 90 N -2.05 2.61 0.03 5.43 2.96 0.01 -0.75 118.68 126.93 1o1u s LEU 90 Ca -0.03 -0.69 0.03 0.00 -0.22 0.00 0.00 54.13 53.22 1o1u s LEU 90 Cb -0.01 -1.40 -0.02 0.00 0.50 0.00 0.00 46.19 45.27 1o1u s LEU 90 CO -0.03 0.15 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.35 1o1u s VAL 91 N -1.40 0.74 0.10 1.68 1.01 0.04 -2.13 120.40 120.43 1o1u s VAL 91 Ca 0.20 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 61.15 1o1u s VAL 91 Cb -0.09 -0.71 0.05 0.00 0.00 0.00 0.00 36.38 35.63 1o1u s VAL 91 CO 0.10 -0.10 0.47 0.54 0.00 0.00 0.00 175.10 176.11 1o1u s VAL 92 N -0.86 0.05 -0.13 2.92 0.11 -0.15 0.03 120.40 122.38 1o1u s VAL 92 Ca -0.02 -0.37 -0.06 0.00 -2.93 0.00 0.00 61.98 58.60 1o1u s VAL 92 Cb -0.07 -1.05 0.06 0.00 -1.53 0.00 0.00 36.38 33.78 1o1u s VAL 92 CO 0.01 -0.21 0.28 0.54 -3.33 0.00 0.00 175.10 172.39 1o1u s ASN 93 N -2.44 -0.02 0.28 3.54 2.20 -1.25 -2.26 114.94 114.98 1o1u s ASN 93 Ca -0.01 0.62 0.09 0.00 -0.94 0.00 0.00 52.86 52.61 1o1u s ASN 93 Cb 0.00 0.62 -0.04 0.00 -2.00 0.00 0.00 41.25 39.83 1o1u s ASN 93 CO -0.08 -0.20 0.07 -0.36 -2.94 0.00 0.00 177.10 173.59 1o1u s PHE 94 N 1.84 2.79 -1.49 1.54 0.40 -0.87 -3.22 117.98 118.98 1o1u s PHE 94 Ca -0.04 -0.23 -0.10 0.00 -0.60 0.00 0.00 56.93 55.96 1o1u s PHE 94 Cb -0.11 -1.33 -0.07 0.00 0.51 0.00 0.00 43.02 42.02 1o1u s PHE 94 CO -0.09 0.54 2.74 -0.35 0.70 0.00 0.00 175.22 178.76 1o1u n PRO 95 N -1.01 3.33 0.04 0.24 -0.04 -1.26 -3.84 135.00 132.46 1o1u n PRO 95 Ca -0.06 -2.13 0.00 0.00 -0.04 0.00 0.00 63.50 61.27 1o1u n PRO 95 Cb 0.59 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 1o1u n PRO 95 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1o1u n ASN 96 N 4.05 -0.78 -2.84 3.54 4.13 -1.26 -5.09 115.26 117.00 1o1u n ASN 96 Ca 0.70 0.26 -0.13 0.00 1.68 0.00 0.00 54.58 57.09 1o1u n ASN 96 Cb 0.24 0.97 -0.03 0.00 -1.54 0.00 0.00 39.78 39.41 1o1u n ASN 96 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1o1u n TYR 97 N -2.43 0.23 -4.00 3.10 4.11 -1.25 -4.82 117.16 112.09 1o1u n TYR 97 Ca 0.00 -1.24 -0.08 0.00 -0.00 0.00 0.00 57.90 56.58 1o1u n TYR 97 Cb 0.00 -0.06 -0.10 0.00 -0.00 0.00 0.00 39.34 39.19 1o1u n TYR 97 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1o1u s HIS 98 N -2.14 0.34 0.09 -3.48 2.46 0.14 -2.05 115.29 110.66 1o1u s HIS 98 Ca 0.07 -0.74 -0.21 0.00 0.47 0.00 0.00 55.06 54.64 1o1u s HIS 98 Cb 0.00 -0.25 0.05 0.00 -0.13 0.00 0.00 32.58 32.25 1o1u s HIS 98 CO 0.05 -0.33 0.52 -1.14 -2.47 0.00 0.00 174.74 171.36 1o1u s GLN 99 N -2.89 1.10 -0.26 2.88 -0.44 -0.96 0.64 119.66 119.74 1o1u s GLN 99 Ca -0.03 -0.38 -0.02 0.00 -2.50 0.00 0.00 55.36 52.43 1o1u s GLN 99 Cb 0.00 0.50 0.12 0.00 -1.64 0.00 0.00 33.01 31.99 1o1u s GLN 99 CO -0.06 -0.43 0.26 0.95 0.50 0.00 0.00 175.29 176.51 1o1u s THR 100 N -3.03 -0.35 0.66 -0.34 -4.23 -1.11 -0.97 115.64 106.27 1o1u s THR 100 Ca -0.02 -0.39 -0.10 0.00 -1.18 0.00 0.00 61.69 60.00 1o1u s THR 100 Cb -0.00 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 72.96 1o1u s THR 100 CO -0.06 -0.40 1.04 -0.44 -0.54 0.00 0.00 174.62 174.21 1o1u s SER 101 N 2.33 5.66 -0.29 3.99 0.01 -0.91 -3.01 113.70 121.48 1o1u s SER 101 Ca 0.09 1.11 -0.04 0.00 1.31 0.00 0.00 55.95 58.42 1o1u s SER 101 Cb -0.15 -2.02 0.17 0.00 0.21 0.00 0.00 66.02 64.23 1o1u s SER 101 CO -0.26 -1.17 0.59 -0.70 0.41 0.00 0.00 173.24 172.11 1o1u s GLU 102 N -5.24 0.55 0.39 12.44 2.12 0.40 -0.81 118.70 128.55 1o1u s GLU 102 Ca 0.56 1.10 -0.21 0.00 0.36 0.00 0.00 54.97 56.78 1o1u s GLU 102 Cb -0.11 0.56 -0.10 0.00 0.26 0.00 0.00 34.13 34.74 1o1u s GLU 102 CO 0.51 -0.50 0.90 0.42 -0.54 0.00 0.00 175.26 176.05 1o1u s ILE 103 N 2.84 4.42 -0.44 -3.70 -1.09 -1.26 -0.92 121.20 121.06 1o1u s ILE 103 Ca 0.13 1.43 0.05 0.00 -2.23 0.00 0.00 60.65 60.03 1o1u s ILE 103 Cb -0.14 -3.67 0.20 0.00 -1.58 0.00 0.00 42.46 37.27 1o1u s ILE 103 CO -0.20 -0.21 0.42 0.52 -1.23 0.00 0.00 174.94 174.24 1o1u n VAL 104 N -0.37 -0.67 0.00 2.92 0.31 0.33 -4.91 118.33 115.94 1o1u n VAL 104 Ca 0.05 -3.80 0.00 0.00 -0.01 0.00 0.00 64.34 60.59 1o1u n VAL 104 Cb 0.53 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1o1u n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1o1u n GLY 105 N 2.26 1.78 2.37 2.92 0.00 -1.26 -3.34 105.19 109.91 1o1u n GLY 105 Ca 0.27 0.19 -0.18 0.00 0.00 0.00 0.00 46.02 46.29 1o1u n GLY 105 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1o1u n ASP 106 N 4.66 1.50 -3.64 1.61 8.00 -1.26 -5.03 116.55 122.39 1o1u n ASP 106 Ca 0.00 -3.07 -0.07 0.00 0.71 0.00 0.00 54.79 52.36 1o1u n ASP 106 Cb 0.00 -0.59 -0.07 0.00 -0.02 0.00 0.00 41.12 40.44 1o1u n ASP 106 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1o1u s LYS 107 N -2.70 0.44 -0.14 -1.24 2.20 -1.21 -3.75 119.74 113.34 1o1u s LYS 107 Ca 0.39 0.57 -0.05 0.00 -0.36 0.00 0.00 55.97 56.52 1o1u s LYS 107 Cb 0.36 0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 36.84 1o1u s LYS 107 CO -0.07 -0.06 0.05 -1.17 -0.36 0.00 0.00 175.35 173.73 1o1u s LEU 108 N 0.43 3.78 0.11 5.43 2.96 0.42 -0.51 118.68 131.30 1o1u s LEU 108 Ca 0.01 0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 1o1u s LEU 108 Cb -0.05 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1o1u s LEU 108 CO -0.09 0.27 -0.05 0.68 -1.32 0.00 0.00 176.35 175.85 1o1u s VAL 109 N -0.24 0.65 0.26 1.68 -7.23 -0.10 0.48 120.40 115.90 1o1u s VAL 109 Ca 0.07 -1.94 -0.09 0.00 -1.81 0.00 0.00 61.98 58.21 1o1u s VAL 109 Cb -0.12 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.05 1o1u s VAL 109 CO 0.02 -0.80 0.43 -1.61 -0.31 0.00 0.00 175.10 172.82 1o1u s GLU 110 N -3.86 1.55 -0.24 4.82 2.02 -1.16 -0.45 118.70 121.39 1o1u s GLU 110 Ca 0.14 -1.39 -0.03 0.00 0.02 0.00 0.00 54.97 53.71 1o1u s GLU 110 Cb 0.06 0.44 0.13 0.00 0.10 0.00 0.00 34.13 34.85 1o1u s GLU 110 CO -0.03 -0.63 0.38 0.54 0.02 0.00 0.00 175.26 175.54 1o1u s VAL 111 N -3.88 -0.60 0.94 2.63 0.11 -1.16 -2.47 120.40 115.97 1o1u s VAL 111 Ca 0.26 -0.05 -0.15 0.00 -2.93 0.00 0.00 61.98 59.11 1o1u s VAL 111 Cb 0.01 -0.80 0.22 0.00 -1.53 0.00 0.00 36.38 34.27 1o1u s VAL 111 CO 0.11 -0.11 1.28 -1.54 -3.33 0.00 0.00 175.10 171.52 1o1u n SER 112 N 5.37 0.16 -3.57 3.54 3.41 -0.53 -2.75 113.62 119.24 1o1u n SER 112 Ca -0.04 -1.50 -0.13 0.00 -0.26 0.00 0.00 58.87 56.94 1o1u n SER 112 Cb 0.50 -0.97 -0.06 0.00 -0.26 0.00 0.00 64.21 63.42 1o1u n SER 112 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1o1u s THR 113 N -3.79 0.00 -0.46 6.66 2.01 0.21 -3.55 115.64 116.72 1o1u s THR 113 Ca 0.73 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.79 1o1u s THR 113 Cb -0.02 -1.00 0.26 0.00 0.01 0.00 0.00 72.50 71.75 1o1u s THR 113 CO 0.51 0.00 0.88 0.00 -0.69 0.00 0.00 174.62 175.32 1o1u n ILE 114 N 1.05 -0.11 -2.36 1.82 3.06 -0.72 0.29 119.36 122.39 1o1u n ILE 114 Ca -0.14 -2.01 -0.16 0.00 -2.50 0.00 0.00 62.75 57.94 1o1u n ILE 114 Cb 0.57 0.92 -0.01 0.00 0.54 0.00 0.00 39.64 41.66 1o1u n ILE 114 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1o1u n GLY 115 N 1.27 -0.36 0.00 4.50 0.00 -1.26 -3.88 105.19 105.45 1o1u n GLY 115 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1o1u n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o1u n GLY 116 N -0.86 0.94 3.90 -0.02 0.00 -1.26 -5.14 105.19 102.75 1o1u n GLY 116 Ca -0.19 0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1o1u n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1o1u s VAL 117 N 0.00 4.94 -0.03 1.61 1.01 -1.25 -5.10 120.40 121.57 1o1u s VAL 117 Ca 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 1o1u s VAL 117 Cb 0.00 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1o1u s VAL 117 CO 0.00 -0.47 0.17 -0.89 0.00 0.00 0.00 175.10 173.91 1o1u s THR 118 N -2.28 0.04 -0.25 3.92 2.01 -1.26 -1.76 115.64 116.06 1o1u s THR 118 Ca 0.46 -0.34 -0.02 0.00 0.31 0.00 0.00 61.69 62.11 1o1u s THR 118 Cb -0.10 -0.37 0.08 0.00 0.01 0.00 0.00 72.50 72.12 1o1u s THR 118 CO 0.33 -0.19 0.05 -0.47 -0.69 0.00 0.00 174.62 173.65 1o1u s TYR 119 N -0.66 1.43 0.50 4.92 5.04 -1.23 -4.37 117.35 122.97 1o1u s TYR 119 Ca -0.08 -1.31 -0.04 0.00 -2.44 0.00 0.00 57.07 53.21 1o1u s TYR 119 Cb -0.04 -1.35 -0.02 0.00 0.35 0.00 0.00 41.96 40.89 1o1u s TYR 119 CO 0.01 -0.74 0.78 -1.21 -1.34 0.00 0.00 175.55 173.05 1o1u s GLU 120 N 1.72 3.26 0.32 4.97 2.02 -1.26 -1.45 118.70 128.28 1o1u s GLU 120 Ca 0.03 -0.04 -0.19 0.00 0.02 0.00 0.00 54.97 54.79 1o1u s GLU 120 Cb -0.17 -2.41 0.03 0.00 0.10 0.00 0.00 34.13 31.69 1o1u s GLU 120 CO -0.15 -0.33 0.75 -0.98 0.02 0.00 0.00 175.26 174.56 1o1u s ARG 121 N -4.74 1.98 -0.43 1.61 1.70 -1.03 -2.71 118.95 115.33 1o1u s ARG 121 Ca 0.49 -1.18 0.04 0.00 -0.47 0.00 0.00 55.73 54.61 1o1u s ARG 121 Cb -0.10 0.62 0.17 0.00 -0.57 0.00 0.00 34.95 35.07 1o1u s ARG 121 CO 0.43 -0.92 0.43 0.14 -1.08 0.00 0.00 175.30 174.30 1o1u s VAL 122 N -3.25 -0.08 -0.50 4.99 -7.23 -1.26 -2.97 120.40 110.10 1o1u s VAL 122 Ca 0.13 -1.98 -0.29 0.00 -1.81 0.00 0.00 61.98 58.03 1o1u s VAL 122 Cb -0.06 -0.87 0.02 0.00 0.56 0.00 0.00 36.38 36.04 1o1u s VAL 122 CO 0.09 -0.84 1.26 -0.44 -0.31 0.00 0.00 175.10 174.85 1o1u s SER 123 N 0.49 6.45 0.98 4.85 0.01 0.18 -4.58 113.70 122.09 1o1u s SER 123 Ca 0.29 0.45 -0.12 0.00 1.31 0.00 0.00 55.95 57.88 1o1u s SER 123 Cb -0.01 -2.55 0.18 0.00 0.21 0.00 0.00 66.02 63.85 1o1u s SER 123 CO -0.13 -1.41 1.11 -0.54 0.41 0.00 0.00 173.24 172.68 1o1u s LYS 124 N 4.83 0.56 -0.93 12.44 3.01 -1.01 -0.44 119.74 138.20 1o1u s LYS 124 Ca 0.51 0.42 -0.07 0.00 -1.01 0.00 0.00 55.97 55.82 1o1u s LYS 124 Cb -0.09 -1.76 0.23 0.00 -1.01 0.00 0.00 37.83 35.20 1o1u s LYS 124 CO 0.30 -2.62 0.86 0.50 0.51 0.00 0.00 175.35 174.90 1o1u s ARG 125 N -5.06 3.59 0.00 1.68 3.52 -1.25 -2.01 118.95 119.43 1o1u s ARG 125 Ca 0.65 -3.04 0.00 0.00 -0.13 0.00 0.00 55.73 53.21 1o1u s ARG 125 Cb -0.17 -4.23 0.00 0.00 -1.56 0.00 0.00 34.95 28.99 1o1u s ARG 125 CO 0.56 -1.25 0.00 1.47 -0.81 0.00 0.00 175.30 175.27 1o1u n LEU 126 N 2.86 0.00 0.00 -0.88 -0.00 -1.22 -4.95 117.00 112.81 1o1u n LEU 126 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.21 1o1u n LEU 126 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 1o1u n LEU 126 CO 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.78