#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nio h ASN 2 N 0.00 0.13 -5.05 0.00 4.21 -1.30 -3.46 115.58 110.12 1nio h ASN 2 Ca 0.00 -0.11 -0.15 0.00 1.21 0.00 0.00 56.30 57.25 1nio h ASN 2 Cb 0.00 -0.04 -0.19 0.00 -1.12 0.00 0.00 38.32 36.97 1nio h ASN 2 CO 0.00 0.93 -0.65 0.68 -1.29 0.00 0.00 177.43 177.11 1nio s VAL 3 N -3.14 0.13 0.06 2.81 -7.23 -1.03 -5.03 120.40 106.98 1nio s VAL 3 Ca -0.01 -1.10 -0.16 0.00 -1.81 0.00 0.00 61.98 58.90 1nio s VAL 3 Cb 0.11 -0.63 0.03 0.00 0.56 0.00 0.00 36.38 36.44 1nio s VAL 3 CO 0.81 -0.61 0.36 -0.94 -0.31 0.00 0.00 175.10 174.42 1nio s SER 4 N -1.86 -0.20 -0.09 4.85 1.04 -1.26 -1.08 113.70 115.10 1nio s SER 4 Ca -0.09 -0.14 -0.08 0.00 0.48 0.00 0.00 55.95 56.11 1nio s SER 4 Cb -0.05 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.50 1nio s SER 4 CO -0.03 -0.67 0.24 0.12 0.98 0.00 0.00 173.24 173.87 1nio s PHE 5 N -2.75 -0.27 -0.08 5.02 2.19 0.10 -4.93 117.98 117.26 1nio s PHE 5 Ca -0.04 0.65 0.04 0.00 0.33 0.00 0.00 56.93 57.91 1nio s PHE 5 Cb -0.00 0.08 0.00 0.00 -1.31 0.00 0.00 43.02 41.79 1nio s PHE 5 CO -0.04 -0.14 -0.20 -1.12 1.83 0.00 0.00 175.22 175.54 1nio s SER 6 N 0.29 2.64 0.35 6.13 0.01 -1.26 -1.72 113.70 120.14 1nio s SER 6 Ca -0.01 -0.46 0.18 0.00 1.31 0.00 0.00 55.95 56.96 1nio s SER 6 Cb -0.03 -1.09 0.59 0.00 0.21 0.00 0.00 66.02 65.70 1nio s SER 6 CO -0.01 0.14 1.69 -0.07 0.41 0.00 0.00 173.24 175.40 1nio h LEU 7 N 6.63 0.00 -9.30 2.44 3.38 -1.50 -3.39 115.31 113.58 1nio h LEU 7 Ca -0.25 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.18 1nio h LEU 7 Cb 1.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.97 1nio h LEU 7 CO 0.47 0.41 1.25 -0.55 0.09 0.00 0.00 178.44 180.12 1nio s SER 8 N -6.48 6.34 0.00 -0.43 0.15 -1.26 -1.62 113.70 110.40 1nio s SER 8 Ca 0.00 2.53 0.00 0.00 0.70 0.00 0.00 55.95 59.18 1nio s SER 8 Cb 0.11 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1nio s SER 8 CO 0.70 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 174.59 1nio n GLY 9 N 4.66 0.48 3.78 9.45 0.00 -1.26 -4.99 105.19 117.31 1nio n GLY 9 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1nio n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nio s ALA 10 N -2.28 2.88 0.00 4.61 0.00 -0.64 -5.04 121.76 121.29 1nio s ALA 10 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1nio s ALA 10 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1nio s ALA 10 CO 0.00 -0.48 0.00 -0.40 0.00 0.00 0.00 175.76 174.88 1nio n ASP 11 N -0.82 0.56 0.18 0.00 3.85 -1.26 -5.01 116.55 114.05 1nio n ASP 11 Ca 0.09 -0.93 0.03 0.00 -0.71 0.00 0.00 54.79 53.26 1nio n ASP 11 Cb 0.51 0.00 0.40 0.00 -1.35 0.00 0.00 41.12 40.68 1nio n ASP 11 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1nio h SER 12 N 0.00 0.07 -0.08 -1.12 4.64 -1.97 -2.29 113.55 112.80 1nio h SER 12 Ca 0.00 -0.02 -0.24 0.00 -0.47 0.00 0.00 61.79 61.06 1nio h SER 12 Cb 0.00 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1nio h SER 12 CO 0.00 0.33 -0.88 0.50 -0.87 0.00 0.00 176.83 175.91 1nio h LYS 13 N 0.07 0.73 -0.02 4.77 3.64 -1.98 -1.66 116.57 122.11 1nio h LYS 13 Ca 0.01 -0.68 -0.09 0.00 -1.27 0.00 0.00 60.65 58.62 1nio h LYS 13 Cb 0.50 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1nio h LYS 13 CO 0.04 1.28 -0.41 0.66 -2.27 0.00 0.00 179.45 178.75 1nio h SER 14 N 0.43 0.05 -0.13 4.20 4.64 -1.91 -0.72 113.55 120.11 1nio h SER 14 Ca -0.09 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.15 1nio h SER 14 Cb 1.53 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1nio h SER 14 CO 0.18 0.45 -0.15 0.22 -0.87 0.00 0.00 176.83 176.66 1nio h TYR 15 N 0.04 0.40 -0.47 4.77 5.03 -1.37 -2.35 116.97 123.02 1nio h TYR 15 Ca 0.00 -0.13 -0.03 0.00 2.58 0.00 0.00 58.73 61.16 1nio h TYR 15 Cb 0.74 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.91 1nio h TYR 15 CO 0.00 0.75 0.18 0.77 -1.32 0.00 0.00 178.16 178.54 1nio h SER 16 N -0.07 0.62 -0.44 -2.11 0.02 -1.08 -0.95 113.55 109.54 1nio h SER 16 Ca 0.02 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 1nio h SER 16 Cb 0.69 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 1nio h SER 16 CO 0.04 0.57 -0.11 0.11 -1.14 0.00 0.00 176.83 176.29 1nio h LYS 17 N 0.67 0.90 -0.19 3.45 1.57 -1.11 -0.94 116.57 120.93 1nio h LYS 17 Ca 0.16 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1nio h LYS 17 Cb 0.15 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1nio h LYS 17 CO -0.01 0.96 0.09 0.35 -0.57 0.00 0.00 179.45 180.26 1nio h PHE 18 N 0.81 0.28 -0.75 -1.35 3.57 -0.81 -0.13 116.94 118.57 1nio h PHE 18 Ca 0.13 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1nio h PHE 18 Cb 0.63 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1nio h PHE 18 CO 0.04 0.32 0.26 0.82 -2.23 0.00 0.00 178.31 177.52 1nio h ILE 19 N 0.17 1.26 -0.73 1.41 1.08 -1.07 0.40 117.51 120.03 1nio h ILE 19 Ca 0.07 -0.85 -0.04 0.00 -0.39 0.00 0.00 64.86 63.65 1nio h ILE 19 Cb 0.15 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 1nio h ILE 19 CO -0.01 0.34 0.31 0.74 -0.69 0.00 0.00 178.15 178.85 1nio h THR 20 N 1.10 1.25 -0.53 -0.27 2.02 -1.04 -1.51 112.91 113.93 1nio h THR 20 Ca 0.25 -0.74 -0.07 0.00 0.77 0.00 0.00 66.41 66.61 1nio h THR 20 Cb 0.26 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1nio h THR 20 CO -0.01 0.30 0.04 0.00 0.37 0.00 0.00 175.52 176.22 1nio h ALA 21 N 1.15 1.06 -0.15 6.16 0.00 -0.21 -1.66 119.26 125.62 1nio h ALA 21 Ca 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nio h ALA 21 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1nio h ALA 21 CO -0.02 0.59 0.07 1.25 0.00 0.00 0.00 179.25 181.14 1nio h LEU 22 N 0.82 0.20 -1.02 0.00 5.85 -0.61 0.13 115.31 120.68 1nio h LEU 22 Ca 0.16 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.81 1nio h LEU 22 Cb 0.44 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 1nio h LEU 22 CO 0.02 0.28 0.65 0.03 -0.34 0.00 0.00 178.44 179.07 1nio h ARG 23 N 0.10 1.15 0.00 1.25 3.08 -1.10 -2.12 114.38 116.74 1nio h ARG 23 Ca 0.05 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1nio h ARG 23 Cb 0.14 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1nio h ARG 23 CO -0.01 0.76 0.00 0.87 -1.07 0.00 0.00 179.97 180.53 1nio h LYS 24 N 1.18 0.00 0.00 0.04 1.57 -0.96 -3.17 116.57 115.24 1nio h LYS 24 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1nio h LYS 24 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1nio h LYS 24 CO -0.17 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.71 1nio h ALA 25 N 2.05 1.00 -2.38 3.86 0.00 -0.28 -3.44 119.26 120.08 1nio h ALA 25 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1nio h ALA 25 Cb 0.94 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1nio h ALA 25 CO 0.00 0.00 0.41 -0.51 0.00 0.00 0.00 179.25 179.15 1nio s LEU 26 N -5.28 4.25 0.63 0.00 1.43 -1.16 -5.01 118.68 113.55 1nio s LEU 26 Ca 0.06 1.38 -0.17 0.00 -1.03 0.00 0.00 54.13 54.37 1nio s LEU 26 Cb 0.09 -3.38 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 1nio s LEU 26 CO 0.55 -0.36 1.19 -2.16 0.23 0.00 0.00 176.35 175.80 1nio s PRO 27 N 1.76 2.78 -0.28 1.29 0.04 -1.26 -5.03 135.00 134.30 1nio s PRO 27 Ca 0.44 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 63.05 1nio s PRO 27 Cb -0.18 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.53 1nio s PRO 27 CO 0.17 -1.34 0.72 0.45 0.04 0.00 0.00 177.00 177.04 1nio s SER 28 N -1.82 -0.88 0.00 6.66 0.15 -1.26 -4.08 113.70 112.47 1nio s SER 28 Ca 0.75 1.46 0.23 0.00 0.70 0.00 0.00 55.95 59.09 1nio s SER 28 Cb -0.29 1.39 0.05 0.00 -1.71 0.00 0.00 66.02 65.47 1nio s SER 28 CO 0.37 -0.24 1.12 0.29 1.20 0.00 0.00 173.24 175.98 1nio n LYS 29 N 3.92 1.00 -3.62 5.44 4.76 -1.26 -5.01 118.16 123.39 1nio n LYS 29 Ca -0.19 -0.80 -0.04 0.00 -2.87 0.00 0.00 58.31 54.41 1nio n LYS 29 Cb 0.58 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.27 1nio n LYS 29 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1nio s GLU 30 N -2.56 0.72 0.10 1.97 -1.05 -1.26 -5.08 118.70 111.54 1nio s GLU 30 Ca 0.18 -0.34 0.08 0.00 -0.15 0.00 0.00 54.97 54.74 1nio s GLU 30 Cb 0.18 0.28 -0.04 0.00 -0.44 0.00 0.00 34.13 34.11 1nio s GLU 30 CO 0.61 -0.32 -0.17 0.15 0.95 0.00 0.00 175.26 176.48 1nio s LYS 31 N -2.85 1.90 -0.12 -4.83 1.02 -1.26 -0.31 119.74 113.28 1nio s LYS 31 Ca 0.10 -1.12 0.00 0.00 0.02 0.00 0.00 55.97 54.98 1nio s LYS 31 Cb 0.00 -2.16 0.02 0.00 -0.52 0.00 0.00 37.83 35.17 1nio s LYS 31 CO -0.04 0.50 -0.10 0.08 -0.92 0.00 0.00 175.35 174.87 1nio s VAL 32 N -1.12 1.23 -1.46 3.17 1.01 0.52 -4.64 120.40 119.11 1nio s VAL 32 Ca 0.18 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 1nio s VAL 32 Cb -0.11 -1.20 0.04 0.00 0.00 0.00 0.00 36.38 35.11 1nio s VAL 32 CO 0.10 0.40 0.73 -1.20 0.00 0.00 0.00 175.10 175.13 1nio n SER 33 N 4.80 -5.35 -0.05 3.32 7.64 -1.26 -1.12 113.62 121.60 1nio n SER 33 Ca -0.15 -0.43 -0.01 0.00 1.01 0.00 0.00 58.87 59.29 1nio n SER 33 Cb 0.50 -4.31 -0.00 0.00 -1.01 0.00 0.00 64.21 59.39 1nio n SER 33 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1nio n ASN 34 N -2.59 -3.94 -4.35 6.43 5.03 -1.26 -4.96 115.26 109.62 1nio n ASN 34 Ca -0.04 0.02 -0.33 0.00 0.87 0.00 0.00 54.58 55.09 1nio n ASN 34 Cb 0.58 -1.50 -0.14 0.00 -1.02 0.00 0.00 39.78 37.69 1nio n ASN 34 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1nio s ILE 35 N -1.74 3.05 0.13 2.41 1.01 -0.27 -5.03 121.20 120.76 1nio s ILE 35 Ca 0.00 -0.65 -0.35 0.00 0.00 0.00 0.00 60.65 59.65 1nio s ILE 35 Cb 0.00 -2.30 -0.15 0.00 0.01 0.00 0.00 42.46 40.03 1nio s ILE 35 CO 0.00 0.51 1.52 -2.65 0.00 0.00 0.00 174.94 174.33 1nio n PRO 36 N 3.73 1.88 -3.49 2.79 -0.02 -1.26 -0.35 135.00 138.28 1nio n PRO 36 Ca -0.18 0.68 -0.37 0.00 -2.02 0.00 0.00 63.50 61.60 1nio n PRO 36 Cb 0.52 -2.42 -0.08 0.00 -0.02 0.00 0.00 33.50 31.51 1nio n PRO 36 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1nio s LEU 37 N 0.90 4.18 0.76 2.45 2.96 0.58 -1.64 118.68 128.86 1nio s LEU 37 Ca 0.81 0.44 -0.11 0.00 -0.22 0.00 0.00 54.13 55.04 1nio s LEU 37 Cb -0.75 -2.39 0.05 0.00 0.50 0.00 0.00 46.19 43.60 1nio s LEU 37 CO 0.41 0.01 1.09 -0.76 -1.32 0.00 0.00 176.35 175.78 1nio s LEU 38 N 0.99 3.07 0.46 -0.68 1.43 -0.29 -4.11 118.68 119.54 1nio s LEU 38 Ca 0.16 1.85 -0.24 0.00 -1.03 0.00 0.00 54.13 54.87 1nio s LEU 38 Cb -0.14 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.48 1nio s LEU 38 CO 0.06 -2.00 1.30 -0.76 0.23 0.00 0.00 176.35 175.18 1nio s LEU 39 N -5.80 4.06 0.40 1.79 1.43 -1.26 -4.31 118.68 114.99 1nio s LEU 39 Ca 0.62 2.63 0.20 0.00 -1.03 0.00 0.00 54.13 56.55 1nio s LEU 39 Cb -0.18 -4.08 0.80 0.00 0.03 0.00 0.00 46.19 42.76 1nio s LEU 39 CO 0.54 -1.09 1.79 1.55 0.23 0.00 0.00 176.35 179.38 1nio h PRO 40 N 2.17 0.00 -2.10 1.29 0.13 -1.93 -3.44 132.00 128.12 1nio h PRO 40 Ca -0.50 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.81 1nio h PRO 40 Cb 1.26 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.27 1nio h PRO 40 CO 0.60 0.32 0.57 -1.54 -0.23 0.00 0.00 178.00 177.73 1nio s SER 41 N -6.40 -0.23 0.02 1.44 1.04 -1.26 -4.80 113.70 103.50 1nio s SER 41 Ca -0.00 -0.17 -0.23 0.00 0.48 0.00 0.00 55.95 56.02 1nio s SER 41 Cb 0.11 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.65 1nio s SER 41 CO 0.67 -0.64 0.52 0.00 0.98 0.00 0.00 173.24 174.77 1nio s ALA 42 N -3.01 -1.33 0.24 5.32 0.00 -1.26 -5.04 121.76 116.67 1nio s ALA 42 Ca 0.09 0.71 0.11 0.00 0.00 0.00 0.00 51.96 52.88 1nio s ALA 42 Cb -0.00 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 1nio s ALA 42 CO -0.04 -0.43 -0.21 -1.54 0.00 0.00 0.00 175.76 173.54 1nio s SER 43 N -1.70 3.42 0.95 0.00 1.04 -1.26 -4.75 113.70 111.40 1nio s SER 43 Ca -0.08 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.39 1nio s SER 43 Cb -0.01 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.84 1nio s SER 43 CO 0.02 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1nio n GLY 44 N -0.25 1.05 0.22 7.32 0.00 -1.26 -3.12 105.19 109.16 1nio n GLY 44 Ca -0.08 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.41 1nio n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nio h ALA 45 N -0.95 1.49 0.00 4.61 0.00 -1.96 -2.84 119.26 119.61 1nio h ALA 45 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1nio h ALA 45 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1nio h ALA 45 CO 0.00 0.27 0.00 -1.13 0.00 0.00 0.00 179.25 178.39 1nio n SER 46 N -4.06 0.00 -0.08 0.00 3.41 -1.18 -1.47 113.62 110.24 1nio n SER 46 Ca -0.02 0.40 0.15 0.00 -0.26 0.00 0.00 58.87 59.14 1nio n SER 46 Cb 0.29 -0.43 0.69 0.00 -0.26 0.00 0.00 64.21 64.50 1nio n SER 46 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1nio n ARG 47 N -1.43 0.67 -4.30 4.33 0.63 -1.07 -4.85 116.66 110.63 1nio n ARG 47 Ca 0.02 -0.16 -0.18 0.00 -0.92 0.00 0.00 57.85 56.60 1nio n ARG 47 Cb 0.05 -1.50 -0.13 0.00 0.45 0.00 0.00 32.46 31.33 1nio n ARG 47 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1nio s TYR 48 N -2.44 1.01 0.19 -0.14 2.02 -0.54 -0.72 117.35 116.73 1nio s TYR 48 Ca 0.31 -0.32 0.11 0.00 -0.37 0.00 0.00 57.07 56.80 1nio s TYR 48 Cb 0.20 -0.61 -0.04 0.00 -0.40 0.00 0.00 41.96 41.11 1nio s TYR 48 CO 0.46 0.00 -0.22 0.96 -1.57 0.00 0.00 175.55 175.18 1nio s ILE 49 N -0.75 2.49 -0.09 2.71 -4.36 -0.45 -4.94 121.20 115.82 1nio s ILE 49 Ca 0.00 -1.98 -0.01 0.00 -0.26 0.00 0.00 60.65 58.41 1nio s ILE 49 Cb -0.07 -2.20 -0.03 0.00 1.25 0.00 0.00 42.46 41.41 1nio s ILE 49 CO 0.01 -0.12 -0.05 -0.76 0.24 0.00 0.00 174.94 174.26 1nio s LEU 50 N -2.71 3.27 -0.16 0.37 1.43 -1.26 -0.75 118.68 118.86 1nio s LEU 50 Ca 0.22 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1nio s LEU 50 Cb -0.08 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.43 1nio s LEU 50 CO 0.11 0.32 -0.14 -0.32 0.23 0.00 0.00 176.35 176.55 1nio s MET 51 N -0.52 2.31 -0.19 1.70 -2.45 0.45 -0.72 119.30 119.88 1nio s MET 51 Ca 0.08 -0.66 -0.11 0.00 -1.25 0.00 0.00 55.69 53.75 1nio s MET 51 Cb -0.12 -2.23 -0.05 0.00 1.25 0.00 0.00 34.83 33.68 1nio s MET 51 CO 0.02 -0.28 0.18 -1.14 1.05 0.00 0.00 175.02 174.85 1nio s GLN 52 N 1.44 4.21 -0.07 4.11 0.74 -0.24 -0.35 119.66 129.50 1nio s GLN 52 Ca 0.03 -0.12 0.03 0.00 0.05 0.00 0.00 55.36 55.36 1nio s GLN 52 Cb -0.14 -3.42 0.00 0.00 1.10 0.00 0.00 33.01 30.56 1nio s GLN 52 CO -0.10 0.28 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.24 1nio s LEU 53 N 0.40 1.83 -0.03 3.68 1.43 -0.54 -0.72 118.68 124.73 1nio s LEU 53 Ca 0.11 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 52.89 1nio s LEU 53 Cb -0.12 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 1nio s LEU 53 CO -0.00 0.10 -0.21 -0.44 0.23 0.00 0.00 176.35 176.03 1nio s SER 54 N 0.39 2.51 0.69 2.29 0.01 -0.70 -1.78 113.70 117.11 1nio s SER 54 Ca -0.12 -0.40 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 1nio s SER 54 Cb -0.15 -0.46 0.03 0.00 0.21 0.00 0.00 66.02 65.65 1nio s SER 54 CO 0.04 0.23 0.18 -0.46 0.41 0.00 0.00 173.24 173.65 1nio n ASN 55 N 2.77 0.13 0.22 2.44 0.23 -0.59 -1.58 115.26 118.88 1nio n ASN 55 Ca -0.16 -1.13 0.07 0.00 -0.53 0.00 0.00 54.58 52.82 1nio n ASN 55 Cb 0.53 -0.13 0.59 0.00 -2.08 0.00 0.00 39.78 38.69 1nio n ASN 55 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 1nio h TYR 56 N -0.73 0.08 -0.31 -2.53 0.05 -1.89 -1.22 116.97 110.42 1nio h TYR 56 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.72 1nio h TYR 56 Cb 0.19 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.91 1nio h TYR 56 CO 0.00 0.07 0.00 -0.25 -1.05 0.00 0.00 178.16 176.93 1nio n ASP 57 N -4.51 1.78 -0.84 3.88 10.43 -1.26 -4.71 116.55 121.33 1nio n ASP 57 Ca -0.02 -1.94 -0.10 0.00 2.57 0.00 0.00 54.79 55.30 1nio n ASP 57 Cb 0.10 -0.20 -0.03 0.00 1.84 0.00 0.00 41.12 42.82 1nio n ASP 57 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1nio n ALA 58 N 0.46 -0.18 -2.46 2.24 0.00 -0.46 -5.01 120.51 115.09 1nio n ALA 58 Ca 0.12 0.13 -0.40 0.00 0.00 0.00 0.00 53.44 53.30 1nio n ALA 58 Cb 0.29 -1.24 -0.05 0.00 0.00 0.00 0.00 19.45 18.46 1nio n ALA 58 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1nio s LYS 59 N -3.28 4.44 0.13 0.00 -0.14 -1.26 -4.80 119.74 114.83 1nio s LYS 59 Ca 0.00 0.96 0.08 0.00 -1.36 0.00 0.00 55.97 55.65 1nio s LYS 59 Cb 0.00 -3.37 -0.04 0.00 -1.68 0.00 0.00 37.83 32.74 1nio s LYS 59 CO 0.00 0.27 -0.18 0.00 -0.76 0.00 0.00 175.35 174.68 1nio s ALA 60 N 0.03 1.81 0.09 5.17 0.00 -1.26 -1.54 121.76 126.06 1nio s ALA 60 Ca 0.37 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 51.02 1nio s ALA 60 Cb -0.20 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 1nio s ALA 60 CO 0.21 0.26 -0.09 0.96 0.00 0.00 0.00 175.76 177.09 1nio s ILE 61 N -1.68 0.86 -0.14 0.00 -4.36 -0.73 -4.82 121.20 110.33 1nio s ILE 61 Ca 0.10 -1.62 0.02 0.00 -0.26 0.00 0.00 60.65 58.90 1nio s ILE 61 Cb -0.07 -1.32 0.01 0.00 1.25 0.00 0.00 42.46 42.33 1nio s ILE 61 CO 0.05 -0.58 -0.22 -0.89 0.24 0.00 0.00 174.94 173.54 1nio s THR 62 N -2.48 2.03 0.01 8.37 2.01 -0.67 -1.47 115.64 123.43 1nio s THR 62 Ca 0.05 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.10 1nio s THR 62 Cb -0.03 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1nio s THR 62 CO -0.01 0.54 0.03 -0.04 -0.69 0.00 0.00 174.62 174.45 1nio s MET 63 N 0.82 2.85 -0.16 4.92 -1.94 0.53 0.05 119.30 126.37 1nio s MET 63 Ca -0.07 -0.60 -0.06 0.00 -1.71 0.00 0.00 55.69 53.25 1nio s MET 63 Cb -0.16 -2.71 -0.04 0.00 2.01 0.00 0.00 34.83 33.93 1nio s MET 63 CO -0.02 0.62 0.05 0.00 -0.01 0.00 0.00 175.02 175.66 1nio s ALA 64 N -1.14 3.40 -0.08 3.03 0.00 -0.72 -0.41 121.76 125.83 1nio s ALA 64 Ca 0.21 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.47 1nio s ALA 64 Cb -0.12 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 1nio s ALA 64 CO 0.12 0.31 -0.22 0.42 0.00 0.00 0.00 175.76 176.39 1nio s ILE 65 N -0.02 2.30 -0.31 0.00 1.01 0.07 -1.23 121.20 123.02 1nio s ILE 65 Ca 0.05 -0.97 -0.29 0.00 0.00 0.00 0.00 60.65 59.45 1nio s ILE 65 Cb -0.12 -1.87 0.02 0.00 0.01 0.00 0.00 42.46 40.50 1nio s ILE 65 CO 0.01 0.56 1.06 -0.62 0.00 0.00 0.00 174.94 175.95 1nio s ASP 66 N -0.05 6.93 0.47 3.58 3.68 -0.30 -1.34 116.67 129.64 1nio s ASP 66 Ca -0.06 1.05 0.32 0.00 2.13 0.00 0.00 52.55 55.99 1nio s ASP 66 Cb -0.15 -2.54 1.49 0.00 -1.45 0.00 0.00 42.92 40.28 1nio s ASP 66 CO 0.05 -0.85 1.96 -0.37 0.13 0.00 0.00 175.17 176.08 1nio h VAL 67 N 5.70 0.00 0.00 1.11 -1.51 -1.26 0.61 116.25 120.91 1nio h VAL 67 Ca -0.21 -0.24 -0.01 0.00 -1.23 0.00 0.00 66.70 65.02 1nio h VAL 67 Cb 1.06 1.09 -0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1nio h VAL 67 CO 1.02 0.00 -0.04 0.71 -1.23 0.00 0.00 177.57 178.03 1nio h THR 68 N 0.00 0.08 0.00 7.19 1.35 -1.84 -3.39 112.91 116.31 1nio h THR 68 Ca 0.00 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1nio h THR 68 Cb 0.27 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1nio h THR 68 CO 0.00 0.04 0.00 -0.46 -0.25 0.00 0.00 175.52 174.85 1nio n ASN 69 N -3.12 0.00 -1.91 5.36 0.23 -1.11 -4.59 115.26 110.12 1nio n ASN 69 Ca 0.03 -1.00 -0.19 0.00 -0.53 0.00 0.00 54.58 52.89 1nio n ASN 69 Cb 0.48 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.14 1nio n ASN 69 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1nio n VAL 70 N 0.00 -0.59 -3.22 3.53 0.31 0.19 -4.98 118.33 113.57 1nio n VAL 70 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 1nio n VAL 70 Cb 0.30 -2.43 -0.06 0.00 -0.91 0.00 0.00 33.84 30.73 1nio n VAL 70 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1nio s TYR 71 N -2.86 3.80 -0.06 3.52 4.12 -1.22 -4.81 117.35 119.85 1nio s TYR 71 Ca 0.00 1.32 -0.28 0.00 0.02 0.00 0.00 57.07 58.13 1nio s TYR 71 Cb 0.00 -2.56 -0.03 0.00 -1.52 0.00 0.00 41.96 37.85 1nio s TYR 71 CO 0.00 0.54 0.91 0.42 0.02 0.00 0.00 175.55 177.43 1nio s ILE 72 N -0.95 4.89 -0.11 2.71 1.01 -1.26 -1.15 121.20 126.34 1nio s ILE 72 Ca 0.30 1.88 -0.01 0.00 0.00 0.00 0.00 60.65 62.82 1nio s ILE 72 Cb -0.20 -4.24 -0.25 0.00 0.01 0.00 0.00 42.46 37.78 1nio s ILE 72 CO 0.20 0.13 0.41 0.23 0.00 0.00 0.00 174.94 175.91 1nio n MET 73 N 4.25 0.72 -3.41 2.79 2.81 -0.36 -4.93 117.12 118.99 1nio n MET 73 Ca 0.05 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 56.20 1nio n MET 73 Cb 0.50 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 1nio n MET 73 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nio n GLY 74 N 1.88 -1.08 3.49 3.03 0.00 -1.25 -1.83 105.19 109.43 1nio n GLY 74 Ca -0.28 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 1nio n GLY 74 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nio s TYR 75 N -3.00 0.00 -0.05 1.61 -0.85 -0.01 -1.76 117.35 113.29 1nio s TYR 75 Ca 0.00 -0.35 0.05 0.00 -0.52 0.00 0.00 57.07 56.25 1nio s TYR 75 Cb 0.00 0.30 -0.01 0.00 0.38 0.00 0.00 41.96 42.63 1nio s TYR 75 CO 0.00 -0.89 -0.21 -1.17 -1.52 0.00 0.00 175.55 171.77 1nio s LEU 76 N -2.90 1.98 -0.00 -3.49 2.96 0.11 -0.48 118.68 116.86 1nio s LEU 76 Ca 0.11 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 1nio s LEU 76 Cb -0.00 -1.15 0.00 0.00 0.50 0.00 0.00 46.19 45.54 1nio s LEU 76 CO -0.02 0.19 0.00 0.54 -1.32 0.00 0.00 176.35 175.75 1nio s VAL 77 N -0.04 0.02 0.00 1.68 0.11 -0.73 -1.68 120.40 119.77 1nio s VAL 77 Ca -0.04 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 1nio s VAL 77 Cb -0.13 -0.04 0.00 0.00 -1.53 0.00 0.00 36.38 34.68 1nio s VAL 77 CO 0.03 0.02 0.00 0.59 -3.33 0.00 0.00 175.10 172.41 1nio n ASN 78 N 3.22 0.00 -0.53 3.54 3.02 -1.26 -1.18 115.26 122.07 1nio n ASN 78 Ca -0.14 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.47 1nio n ASN 78 Cb 0.59 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.92 1nio n ASN 78 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1nio n SER 79 N 6.63 1.75 -4.18 6.41 3.41 -1.26 -5.00 113.62 121.39 1nio n SER 79 Ca 0.00 -3.43 -0.30 0.00 -0.26 0.00 0.00 58.87 54.89 1nio n SER 79 Cb 0.00 -0.47 -0.17 0.00 -0.26 0.00 0.00 64.21 63.32 1nio n SER 79 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1nio s THR 80 N -2.71 1.79 0.05 6.66 2.01 -0.32 -1.36 115.64 121.76 1nio s THR 80 Ca 0.34 -0.88 0.05 0.00 0.31 0.00 0.00 61.69 61.51 1nio s THR 80 Cb 0.33 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 1nio s THR 80 CO -0.05 0.50 -0.05 -0.94 -0.69 0.00 0.00 174.62 173.39 1nio s SER 81 N 0.25 4.72 -0.13 3.53 1.04 0.08 -1.77 113.70 121.41 1nio s SER 81 Ca -0.13 -0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.11 1nio s SER 81 Cb -0.16 -1.07 0.02 0.00 0.10 0.00 0.00 66.02 64.91 1nio s SER 81 CO 0.06 0.22 -0.16 -0.31 0.98 0.00 0.00 173.24 174.04 1nio s TYR 82 N -1.15 2.12 0.09 5.02 1.51 0.37 0.00 117.35 125.31 1nio s TYR 82 Ca 0.21 -1.08 0.10 0.00 -1.01 0.00 0.00 57.07 55.29 1nio s TYR 82 Cb -0.11 -1.53 -0.03 0.00 -0.11 0.00 0.00 41.96 40.17 1nio s TYR 82 CO 0.12 -0.56 -0.26 -0.06 -1.11 0.00 0.00 175.55 173.68 1nio s PHE 83 N 1.15 2.25 0.66 2.71 0.40 -0.57 -0.83 117.98 123.75 1nio s PHE 83 Ca -0.02 -0.40 -0.17 0.00 -0.60 0.00 0.00 56.93 55.74 1nio s PHE 83 Cb -0.14 -1.28 -0.00 0.00 0.51 0.00 0.00 43.02 42.11 1nio s PHE 83 CO -0.05 0.23 1.23 -0.06 0.70 0.00 0.00 175.22 177.26 1nio s PHE 84 N -0.94 2.19 -1.26 0.36 2.99 -0.76 -0.39 117.98 120.17 1nio s PHE 84 Ca 0.12 1.54 -0.15 0.00 0.00 0.00 0.00 56.93 58.44 1nio s PHE 84 Cb -0.10 -3.53 0.13 0.00 0.00 0.00 0.00 43.02 39.52 1nio s PHE 84 CO 0.04 -2.53 1.61 -1.71 -0.00 0.00 0.00 175.22 172.62 1nio n ASN 85 N -2.11 5.06 -3.50 1.36 5.15 -0.40 -4.47 115.26 116.35 1nio n ASN 85 Ca 0.14 -2.96 -0.16 0.00 -0.60 0.00 0.00 54.58 51.01 1nio n ASN 85 Cb 0.49 -1.64 -0.05 0.00 -0.53 0.00 0.00 39.78 38.06 1nio n ASN 85 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1nio s GLU 86 N 2.63 1.12 0.34 1.20 -1.05 -1.26 -4.09 118.70 117.59 1nio s GLU 86 Ca 0.47 -0.01 0.07 0.00 -0.15 0.00 0.00 54.97 55.36 1nio s GLU 86 Cb 0.01 0.52 0.76 0.00 -0.44 0.00 0.00 34.13 34.98 1nio s GLU 86 CO 0.03 -0.40 1.87 0.66 0.95 0.00 0.00 175.26 178.37 1nio h SER 87 N 2.69 0.71 -0.03 0.83 4.64 -1.99 -1.16 113.55 119.24 1nio h SER 87 Ca -0.29 0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 60.96 1nio h SER 87 Cb 1.20 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1nio h SER 87 CO 0.39 0.37 -0.31 0.44 -0.87 0.00 0.00 176.83 176.85 1nio h ASP 88 N 0.76 0.50 0.37 4.97 3.32 -1.98 -1.81 116.42 122.56 1nio h ASP 88 Ca 0.45 -0.19 -0.21 0.00 0.02 0.00 0.00 57.03 57.10 1nio h ASP 88 Cb 0.65 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 1nio h ASP 88 CO -0.21 0.79 -0.86 0.00 -1.72 0.00 0.00 179.24 177.24 1nio h ALA 89 N 1.24 0.47 -0.57 3.45 0.00 -1.62 -1.41 119.26 120.82 1nio h ALA 89 Ca 0.05 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 1nio h ALA 89 Cb 0.76 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1nio h ALA 89 CO 0.06 0.82 0.30 -0.22 0.00 0.00 0.00 179.25 180.21 1nio h LYS 90 N 0.21 0.80 -0.45 0.00 1.63 -1.06 -0.74 116.57 116.96 1nio h LYS 90 Ca -0.06 -0.10 -0.08 0.00 -0.85 0.00 0.00 60.65 59.57 1nio h LYS 90 Cb 1.48 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.94 1nio h LYS 90 CO 0.14 0.63 -0.01 1.25 -3.45 0.00 0.00 179.45 178.01 1nio h LEU 91 N 0.77 0.80 -1.45 5.20 5.85 -1.25 -2.88 115.31 122.35 1nio h LEU 91 Ca 0.20 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1nio h LEU 91 Cb 0.07 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1nio h LEU 91 CO -0.03 0.92 0.40 0.00 -0.34 0.00 0.00 178.44 179.39 1nio h ALA 92 N 0.91 1.65 0.00 1.25 0.00 -0.81 -1.30 119.26 120.96 1nio h ALA 92 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nio h ALA 92 Cb 0.52 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1nio h ALA 92 CO 0.03 0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.44 1nio n SER 93 N -4.46 0.58 0.06 0.00 3.41 -0.32 -0.87 113.62 112.01 1nio n SER 93 Ca 0.07 0.74 0.13 0.00 -0.26 0.00 0.00 58.87 59.54 1nio n SER 93 Cb 0.11 -0.83 0.32 0.00 -0.26 0.00 0.00 64.21 63.55 1nio n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nio n GLN 94 N -2.25 0.20 -0.00 4.33 1.13 -0.49 -4.39 117.38 115.92 1nio n GLN 94 Ca -0.01 0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1nio n GLN 94 Cb 0.08 -1.67 -0.00 0.00 0.11 0.00 0.00 30.24 28.75 1nio n GLN 94 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1nio n TYR 95 N -1.98 0.00 -4.43 1.08 4.02 -0.05 -5.01 117.16 110.80 1nio n TYR 95 Ca 0.05 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.69 1nio n TYR 95 Cb 0.41 -0.01 -0.11 0.00 -0.02 0.00 0.00 39.34 39.61 1nio n TYR 95 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1nio s VAL 96 N -2.02 2.30 -1.49 -0.72 -7.23 -0.88 -4.70 120.40 105.67 1nio s VAL 96 Ca -0.00 -2.18 -0.07 0.00 -1.81 0.00 0.00 61.98 57.92 1nio s VAL 96 Cb 0.00 -2.16 0.02 0.00 0.56 0.00 0.00 36.38 34.81 1nio s VAL 96 CO 0.01 -0.28 0.69 0.49 -0.31 0.00 0.00 175.10 175.70 1nio n PHE 97 N -0.12 -2.09 -1.72 2.82 0.99 -1.26 -4.78 117.46 111.31 1nio n PHE 97 Ca -0.09 0.60 -0.43 0.00 -0.00 0.00 0.00 57.45 57.53 1nio n PHE 97 Cb 0.58 -4.28 -0.02 0.00 -1.00 0.00 0.00 39.48 34.77 1nio n PHE 97 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1nio n LYS 98 N -4.16 2.39 0.00 -1.08 4.76 -1.26 -1.77 118.16 117.05 1nio n LYS 98 Ca -0.07 0.85 0.00 0.00 -2.87 0.00 0.00 58.31 56.22 1nio n LYS 98 Cb 0.59 -2.55 0.00 0.00 -1.84 0.00 0.00 35.03 31.23 1nio n LYS 98 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nio n GLY 99 N 1.73 1.17 3.92 0.72 0.00 -1.26 -5.06 105.19 106.42 1nio n GLY 99 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1nio n GLY 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nio s SER 100 N -2.28 6.11 -0.23 1.61 1.04 -0.73 -5.02 113.70 114.21 1nio s SER 100 Ca 0.00 0.77 -0.29 0.00 0.48 0.00 0.00 55.95 56.91 1nio s SER 100 Cb 0.00 -2.06 0.01 0.00 0.10 0.00 0.00 66.02 64.07 1nio s SER 100 CO 0.00 -0.63 1.08 -0.89 0.98 0.00 0.00 173.24 173.78 1nio s THR 101 N -2.71 4.60 -0.22 2.02 2.01 -0.46 -4.83 115.64 116.05 1nio s THR 101 Ca 0.48 1.92 -0.22 0.00 0.31 0.00 0.00 61.69 64.18 1nio s THR 101 Cb -0.10 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.12 1nio s THR 101 CO 0.43 -0.20 0.69 -0.63 -0.69 0.00 0.00 174.62 174.23 1nio s ILE 102 N 3.29 4.96 -0.14 1.82 1.01 -1.26 -0.74 121.20 130.14 1nio s ILE 102 Ca 0.46 1.30 -0.01 0.00 0.00 0.00 0.00 60.65 62.40 1nio s ILE 102 Cb -0.16 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 1nio s ILE 102 CO 0.08 0.04 -0.10 -0.69 0.00 0.00 0.00 174.94 174.27 1nio s VAL 103 N 2.27 3.30 -0.14 2.92 1.01 0.10 -4.97 120.40 124.89 1nio s VAL 103 Ca 0.31 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.53 1nio s VAL 103 Cb -0.16 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1nio s VAL 103 CO 0.10 0.52 0.48 -0.89 0.00 0.00 0.00 175.10 175.30 1nio s THR 104 N 0.32 5.17 0.64 3.92 2.01 -1.26 -1.51 115.64 124.93 1nio s THR 104 Ca -0.09 0.93 -0.15 0.00 0.31 0.00 0.00 61.69 62.70 1nio s THR 104 Cb -0.15 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 1nio s THR 104 CO 0.05 0.29 1.08 -0.76 -0.69 0.00 0.00 174.62 174.59 1nio s LEU 105 N 0.87 3.40 0.00 4.42 1.43 0.48 -4.91 118.68 124.36 1nio s LEU 105 Ca 0.25 1.85 0.00 0.00 -1.03 0.00 0.00 54.13 55.20 1nio s LEU 105 Cb -0.15 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.54 1nio s LEU 105 CO 0.10 -1.40 0.79 -0.81 0.23 0.00 0.00 176.35 175.27 1nio n PRO 106 N -2.36 0.87 -3.76 1.29 -0.04 -1.26 -3.96 135.00 125.78 1nio n PRO 106 Ca 0.09 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 1nio n PRO 106 Cb 0.53 -1.08 -0.05 0.00 -0.04 0.00 0.00 33.50 32.86 1nio n PRO 106 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1nio s TYR 107 N -1.82 -0.01 0.86 0.54 1.13 -1.26 -4.99 117.35 111.79 1nio s TYR 107 Ca 0.00 -0.34 -0.08 0.00 -1.41 0.00 0.00 57.07 55.24 1nio s TYR 107 Cb 0.00 0.20 0.18 0.00 -1.10 0.00 0.00 41.96 41.23 1nio s TYR 107 CO 0.00 -0.75 1.17 -1.54 -2.51 0.00 0.00 175.55 171.92 1nio s SER 108 N -2.87 3.61 0.00 -0.18 1.04 -1.26 -1.28 113.70 112.77 1nio s SER 108 Ca 0.08 -0.13 0.20 0.00 0.48 0.00 0.00 55.95 56.58 1nio s SER 108 Cb 0.02 -0.02 0.53 0.00 0.10 0.00 0.00 66.02 66.65 1nio s SER 108 CO -0.07 -2.38 1.44 0.61 0.98 0.00 0.00 173.24 173.83 1nio n GLY 109 N -3.34 1.45 3.86 7.32 0.00 -1.26 -4.47 105.19 108.75 1nio n GLY 109 Ca 0.16 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 1nio n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nio s ASN 110 N -1.26 6.44 0.25 1.61 2.20 -1.26 -4.87 114.94 118.04 1nio s ASN 110 Ca 0.38 1.43 -0.04 0.00 -0.94 0.00 0.00 52.86 53.69 1nio s ASN 110 Cb 0.21 -2.46 0.42 0.00 -2.00 0.00 0.00 41.25 37.41 1nio s ASN 110 CO 0.28 -0.68 1.80 1.88 -2.94 0.00 0.00 177.10 177.45 1nio h TYR 111 N 0.43 0.85 -0.27 1.54 0.99 -1.99 -1.83 116.97 116.69 1nio h TYR 111 Ca -0.46 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.31 1nio h TYR 111 Cb 1.19 -0.26 -0.01 0.00 1.00 0.00 0.00 36.73 38.65 1nio h TYR 111 CO 0.64 0.33 0.18 1.49 -0.00 0.00 0.00 178.16 180.80 1nio h GLU 112 N 0.77 0.36 -0.03 4.88 4.81 -1.98 -0.25 114.58 123.14 1nio h GLU 112 Ca 0.41 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1nio h GLU 112 Cb 0.40 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1nio h GLU 112 CO -0.26 0.24 0.01 0.00 -0.73 0.00 0.00 179.01 178.27 1nio h ARG 113 N 0.37 0.04 -0.90 1.92 2.47 -1.84 -2.20 114.38 114.24 1nio h ARG 113 Ca 0.10 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.82 1nio h ARG 113 Cb -0.04 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.23 1nio h ARG 113 CO -0.02 0.18 0.59 -0.07 0.56 0.00 0.00 179.97 181.22 1nio h LEU 114 N -0.11 1.02 -0.67 3.04 3.38 -1.22 -0.24 115.31 120.52 1nio h LEU 114 Ca 0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1nio h LEU 114 Cb 0.16 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1nio h LEU 114 CO -0.00 0.74 0.25 1.56 0.09 0.00 0.00 178.44 181.08 1nio h GLN 115 N 1.21 1.01 -0.51 1.13 4.20 -0.94 0.11 115.11 121.32 1nio h GLN 115 Ca 0.33 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 1nio h GLN 115 Cb -0.12 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.48 1nio h GLN 115 CO -0.08 0.86 0.12 -0.91 -0.67 0.00 0.00 178.83 178.15 1nio h ASN 116 N 0.96 0.78 -0.36 1.46 2.35 -0.94 0.13 115.58 119.96 1nio h ASN 116 Ca 0.22 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1nio h ASN 116 Cb 0.23 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1nio h ASN 116 CO -0.02 0.81 0.12 0.00 -1.65 0.00 0.00 177.43 176.70 1nio h ALA 117 N 0.99 0.47 0.00 -0.83 0.00 -0.70 -2.68 119.26 116.52 1nio h ALA 117 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1nio h ALA 117 Cb 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1nio h ALA 117 CO 0.00 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.36 1nio h ALA 118 N 0.97 1.00 -0.83 0.00 0.00 -0.68 -3.47 119.26 116.24 1nio h ALA 118 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1nio h ALA 118 Cb 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1nio h ALA 118 CO -0.01 0.00 -0.19 0.41 0.00 0.00 0.00 179.25 179.46 1nio n GLY 119 N 0.59 0.51 3.44 0.00 0.00 0.39 -4.90 105.19 105.22 1nio n GLY 119 Ca 0.03 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 1nio n GLY 119 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nio s LYS 120 N -3.61 0.63 0.46 1.61 2.20 -0.81 -5.03 119.74 115.19 1nio s LYS 120 Ca 0.00 0.75 -0.15 0.00 -0.36 0.00 0.00 55.97 56.21 1nio s LYS 120 Cb 0.00 0.30 -0.08 0.00 -1.51 0.00 0.00 37.83 36.55 1nio s LYS 120 CO 0.00 -0.08 0.90 0.14 -0.36 0.00 0.00 175.35 175.95 1nio s VAL 121 N 0.30 4.62 0.49 4.02 -7.23 -1.26 -4.53 120.40 116.80 1nio s VAL 121 Ca -0.00 1.01 0.26 0.00 -1.81 0.00 0.00 61.98 61.44 1nio s VAL 121 Cb -0.04 -3.71 0.44 0.00 0.56 0.00 0.00 36.38 33.63 1nio s VAL 121 CO 0.01 -0.59 1.86 0.03 -0.31 0.00 0.00 175.10 176.10 1nio h ARG 122 N 1.14 0.16 -0.01 4.82 3.08 -1.95 -0.33 114.38 121.30 1nio h ARG 122 Ca -0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1nio h ARG 122 Cb 1.18 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 1nio h ARG 122 CO 0.62 0.11 0.02 0.93 -1.07 0.00 0.00 179.97 180.58 1nio h GLU 123 N 0.17 0.00 -0.21 0.04 3.07 -1.93 -2.75 114.58 112.97 1nio h GLU 123 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 1nio h GLU 123 Cb 1.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.45 1nio h GLU 123 CO -0.09 0.00 0.00 1.17 -1.40 0.00 0.00 179.01 178.69 1nio n LYS 124 N -3.48 2.72 -3.63 2.33 3.00 -0.14 -4.69 118.16 114.27 1nio n LYS 124 Ca -0.03 -2.23 -0.40 0.00 -0.00 0.00 0.00 58.31 55.66 1nio n LYS 124 Cb 0.09 -1.40 -0.11 0.00 0.00 0.00 0.00 35.03 33.61 1nio n LYS 124 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1nio s ILE 125 N -1.73 4.35 0.45 3.15 1.01 -1.04 -4.98 121.20 122.42 1nio s ILE 125 Ca 0.25 -1.00 -0.25 0.00 0.00 0.00 0.00 60.65 59.65 1nio s ILE 125 Cb 0.18 -3.47 -0.08 0.00 0.01 0.00 0.00 42.46 39.10 1nio s ILE 125 CO 0.09 -0.26 1.42 -2.84 0.00 0.00 0.00 174.94 173.36 1nio s PRO 126 N 1.50 3.69 0.26 2.79 0.02 -1.26 -4.39 135.00 137.61 1nio s PRO 126 Ca 0.01 2.41 0.12 0.00 0.02 0.00 0.00 61.00 63.56 1nio s PRO 126 Cb -0.20 -2.66 -0.05 0.00 0.02 0.00 0.00 34.50 31.62 1nio s PRO 126 CO 0.05 -0.81 -0.20 -0.51 -0.33 0.00 0.00 177.00 175.19 1nio s LEU 127 N -2.72 2.56 0.00 -5.54 1.43 -0.59 -4.85 118.68 108.97 1nio s LEU 127 Ca 0.61 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1nio s LEU 127 Cb -0.44 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 44.69 1nio s LEU 127 CO 0.56 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.80 1nio n GLY 128 N -0.47 -0.33 0.16 -3.19 0.00 -1.26 -1.50 105.19 98.59 1nio n GLY 128 Ca -0.06 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 1nio n GLY 128 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1nio h PHE 129 N 0.00 0.50 -0.50 1.61 -1.00 -1.73 -1.51 116.94 114.32 1nio h PHE 129 Ca 0.00 -0.10 -0.06 0.00 2.81 0.00 0.00 57.97 60.62 1nio h PHE 129 Cb 0.00 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.41 1nio h PHE 129 CO 0.00 0.66 0.07 0.00 -1.61 0.00 0.00 178.31 177.43 1nio h ARG 130 N 0.20 0.78 -0.65 1.51 3.08 -1.86 -0.40 114.38 117.04 1nio h ARG 130 Ca 0.06 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 1nio h ARG 130 Cb 0.48 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1nio h ARG 130 CO 0.02 0.75 0.17 0.00 -1.07 0.00 0.00 179.97 179.83 1nio h ALA 131 N 1.33 0.85 -0.16 0.04 0.00 -1.87 -0.54 119.26 118.90 1nio h ALA 131 Ca 0.16 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1nio h ALA 131 Cb 0.36 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1nio h ALA 131 CO 0.01 0.56 0.09 0.35 0.00 0.00 0.00 179.25 180.26 1nio h PHE 132 N 0.95 0.23 -0.33 0.00 -0.00 -0.83 -0.01 116.94 116.94 1nio h PHE 132 Ca 0.20 -0.01 0.04 0.00 -0.00 0.00 0.00 57.97 58.21 1nio h PHE 132 Cb 0.35 -0.07 -0.04 0.00 -0.00 0.00 0.00 35.95 36.19 1nio h PHE 132 CO 0.03 0.23 0.09 0.22 -0.00 0.00 0.00 178.31 178.87 1nio h ASP 133 N 0.16 0.06 -0.82 0.41 1.82 -0.82 -1.27 116.42 115.96 1nio h ASP 133 Ca 0.06 0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 56.72 1nio h ASP 133 Cb 0.08 0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.10 1nio h ASP 133 CO -0.01 0.07 0.44 -1.28 -1.61 0.00 0.00 179.24 176.85 1nio h SER 134 N 0.22 1.04 -0.59 2.28 0.87 -0.90 -1.86 113.55 114.60 1nio h SER 134 Ca 0.15 -0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.51 1nio h SER 134 Cb 0.15 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1nio h SER 134 CO -0.18 0.85 0.00 0.00 -0.53 0.00 0.00 176.83 176.97 1nio h ALA 135 N 1.23 0.80 -0.64 6.23 0.00 -0.43 -2.00 119.26 124.44 1nio h ALA 135 Ca 0.29 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1nio h ALA 135 Cb 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1nio h ALA 135 CO -0.04 0.63 0.05 0.82 0.00 0.00 0.00 179.25 180.71 1nio h ILE 136 N 0.94 1.27 -0.58 0.00 2.04 -1.01 -2.39 117.51 117.77 1nio h ILE 136 Ca 0.17 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 1nio h ILE 136 Cb 0.55 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1nio h ILE 136 CO 0.03 0.41 0.31 0.74 0.00 0.00 0.00 178.15 179.64 1nio h THR 137 N 1.01 1.20 -0.74 -0.27 2.02 -1.19 0.90 112.91 115.85 1nio h THR 137 Ca 0.19 -0.51 0.03 0.00 0.77 0.00 0.00 66.41 66.89 1nio h THR 137 Cb 0.51 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 1nio h THR 137 CO 0.02 0.21 0.47 0.28 0.37 0.00 0.00 175.52 176.87 1nio h SER 138 N 0.78 0.77 0.41 4.18 0.02 -1.14 -2.40 113.55 116.18 1nio h SER 138 Ca 0.20 -0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.96 1nio h SER 138 Cb 0.07 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1nio h SER 138 CO -0.03 0.53 -0.80 -0.07 -1.14 0.00 0.00 176.83 175.33 1nio h LEU 139 N 0.91 0.37 -1.23 5.07 3.38 -1.13 -0.66 115.31 122.02 1nio h LEU 139 Ca 0.29 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1nio h LEU 139 Cb 0.01 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1nio h LEU 139 CO -0.11 1.02 0.52 0.15 0.09 0.00 0.00 178.44 180.12 1nio h PHE 140 N 0.19 0.99 -0.25 1.13 3.04 -0.42 -1.92 116.94 119.69 1nio h PHE 140 Ca -0.04 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1nio h PHE 140 Cb 1.39 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 39.57 1nio h PHE 140 CO 0.04 0.62 0.00 0.72 -2.02 0.00 0.00 178.31 177.67 1nio n HIS 141 N -4.41 0.31 -3.76 0.41 8.25 -0.94 -4.96 115.22 110.11 1nio n HIS 141 Ca 0.09 -0.16 -0.25 0.00 -0.26 0.00 0.00 57.72 57.14 1nio n HIS 141 Cb 0.03 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1nio n HIS 141 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1nio n TYR 142 N 1.41 -2.05 -2.67 4.41 9.36 -0.58 -4.85 117.16 122.18 1nio n TYR 142 Ca 0.17 0.79 -0.42 0.00 3.32 0.00 0.00 57.90 61.76 1nio n TYR 142 Cb 0.59 -2.88 -0.03 0.00 -0.63 0.00 0.00 39.34 36.39 1nio n TYR 142 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1nio s ASP 143 N -3.05 6.17 0.51 2.98 -1.08 -0.36 -4.89 116.67 116.95 1nio s ASP 143 Ca 0.05 -0.65 0.23 0.00 -0.52 0.00 0.00 52.55 51.66 1nio s ASP 143 Cb -0.03 -2.50 1.32 0.00 -1.46 0.00 0.00 42.92 40.25 1nio s ASP 143 CO 0.89 -1.67 2.00 0.77 0.52 0.00 0.00 175.17 177.68 1nio h SER 144 N 9.83 0.08 0.81 -0.34 4.64 -1.88 -0.99 113.55 125.69 1nio h SER 144 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1nio h SER 144 Cb 1.06 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1nio h SER 144 CO 1.24 0.04 -0.03 0.35 -0.87 0.00 0.00 176.83 177.56 1nio n THR 145 N -4.41 0.00 0.21 2.95 -2.24 -1.26 -3.63 114.28 105.90 1nio n THR 145 Ca 0.09 -0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.89 1nio n THR 145 Cb 0.54 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 68.31 1nio n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nio n ALA 146 N -1.41 2.58 -0.24 6.98 0.00 -0.45 -4.78 120.51 123.20 1nio n ALA 146 Ca 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 53.44 53.32 1nio n ALA 146 Cb 0.31 -0.17 0.08 0.00 0.00 0.00 0.00 19.45 19.67 1nio n ALA 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nio h ALA 147 N 0.70 0.89 -0.14 0.00 0.00 -1.43 -0.98 119.26 118.30 1nio h ALA 147 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1nio h ALA 147 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1nio h ALA 147 CO 0.00 0.13 0.08 0.00 0.00 0.00 0.00 179.25 179.46 1nio h ALA 148 N 1.32 0.18 -0.69 0.00 0.00 -1.86 0.64 119.26 118.84 1nio h ALA 148 Ca 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1nio h ALA 148 Cb 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1nio h ALA 148 CO -0.14 -0.30 0.39 0.78 0.00 0.00 0.00 179.25 179.98 1nio h GLY 149 N 0.14 1.01 1.28 0.00 0.00 -1.81 -1.58 103.07 102.12 1nio h GLY 149 Ca 0.05 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 1nio h GLY 149 CO -0.01 0.42 -0.08 0.00 0.00 0.00 0.00 176.54 176.87 1nio h ALA 150 N 1.48 0.95 -0.58 3.60 0.00 -0.56 -2.22 119.26 121.93 1nio h ALA 150 Ca 0.25 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1nio h ALA 150 Cb -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1nio h ALA 150 CO -0.04 0.62 0.05 0.74 0.00 0.00 0.00 179.25 180.62 1nio h PHE 151 N 0.78 1.07 -0.96 0.00 -1.00 -0.31 -1.29 116.94 115.23 1nio h PHE 151 Ca 0.13 -0.17 0.06 0.00 2.81 0.00 0.00 57.97 60.81 1nio h PHE 151 Cb 0.58 -0.29 -0.06 0.00 3.61 0.00 0.00 35.95 39.79 1nio h PHE 151 CO 0.03 0.94 0.61 -0.07 -1.61 0.00 0.00 178.31 178.22 1nio h LEU 152 N 0.89 0.98 0.07 1.54 3.38 -0.87 -0.22 115.31 121.08 1nio h LEU 152 Ca 0.17 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1nio h LEU 152 Cb 0.48 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1nio h LEU 152 CO 0.02 0.63 -0.03 0.58 0.09 0.00 0.00 178.44 179.73 1nio h VAL 153 N 1.12 1.18 -0.66 1.22 2.07 -1.15 -3.12 116.25 116.91 1nio h VAL 153 Ca 0.41 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1nio h VAL 153 Cb 0.15 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1nio h VAL 153 CO -0.17 0.22 0.28 0.40 0.02 0.00 0.00 177.57 178.33 1nio h ILE 154 N -0.50 1.24 -0.49 4.57 2.04 -0.87 -1.47 117.51 122.02 1nio h ILE 154 Ca -0.01 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.15 1nio h ILE 154 Cb 0.43 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1nio h ILE 154 CO 0.02 0.29 0.31 0.40 0.00 0.00 0.00 178.15 179.16 1nio h ILE 155 N 0.93 1.10 -0.11 -0.67 2.04 -1.15 -0.62 117.51 119.03 1nio h ILE 155 Ca 0.22 -0.22 -0.12 0.00 1.00 0.00 0.00 64.86 65.74 1nio h ILE 155 Cb 0.18 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1nio h ILE 155 CO -0.02 0.11 -0.48 1.56 0.00 0.00 0.00 178.15 179.33 1nio h GLN 156 N 0.63 0.28 0.00 2.37 4.20 -1.45 -1.10 115.11 120.04 1nio h GLN 156 Ca 0.18 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 1nio h GLN 156 Cb -0.04 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1nio h GLN 156 CO -0.06 0.70 -0.23 1.15 -0.67 0.00 0.00 178.83 179.73 1nio h THR 157 N 0.23 0.45 0.00 -0.54 2.02 -0.80 -3.02 112.91 111.25 1nio h THR 157 Ca 0.01 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 65.82 1nio h THR 157 Cb 0.93 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 1nio h THR 157 CO 0.08 0.22 0.00 0.35 0.37 0.00 0.00 175.52 176.54 1nio n THR 158 N -3.23 0.00 0.03 3.16 -2.24 -0.28 -4.53 114.28 107.19 1nio n THR 158 Ca 0.02 0.14 -0.11 0.00 -2.27 0.00 0.00 64.05 61.83 1nio n THR 158 Cb 0.54 -1.10 -0.05 0.00 -2.10 0.00 0.00 70.33 67.62 1nio n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nio h ALA 159 N -0.64 -0.06 -0.24 6.98 0.00 -1.42 -0.94 119.26 122.93 1nio h ALA 159 Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1nio h ALA 159 Cb 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1nio h ALA 159 CO 0.00 -0.57 -0.34 0.93 0.00 0.00 0.00 179.25 179.27 1nio h GLU 160 N -0.13 0.53 -0.13 0.00 4.39 -1.41 -2.36 114.58 115.46 1nio h GLU 160 Ca 0.05 -0.24 -0.08 0.00 0.34 0.00 0.00 59.36 59.43 1nio h GLU 160 Cb 0.20 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1nio h GLU 160 CO -0.12 0.80 -0.29 0.00 -1.16 0.00 0.00 179.01 178.24 1nio h ALA 161 N 1.18 1.27 0.00 3.43 0.00 -1.38 -1.89 119.26 121.88 1nio h ALA 161 Ca 0.05 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1nio h ALA 161 Cb 0.81 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1nio h ALA 161 CO 0.07 0.49 -0.50 0.66 0.00 0.00 0.00 179.25 179.96 1nio h SER 162 N 0.22 0.00 0.86 0.00 4.64 -0.74 -3.14 113.55 115.39 1nio h SER 162 Ca 0.03 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.14 1nio h SER 162 Cb 0.63 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 1nio h SER 162 CO 0.05 0.50 -1.00 0.03 -0.87 0.00 0.00 176.83 175.54 1nio h ARG 163 N 0.00 0.07 -3.85 4.77 3.08 -0.93 -3.41 114.38 114.11 1nio h ARG 163 Ca -0.01 -0.11 -0.39 0.00 0.07 0.00 0.00 59.98 59.55 1nio h ARG 163 Cb 0.93 0.04 -0.35 0.00 0.08 0.00 0.00 29.97 30.67 1nio h ARG 163 CO 0.07 1.00 -0.76 -0.06 -1.07 0.00 0.00 179.97 179.15 1nio s PHE 164 N -2.83 0.56 0.27 3.04 0.08 -0.76 0.05 117.98 118.39 1nio s PHE 164 Ca -0.00 -0.11 -0.04 0.00 0.12 0.00 0.00 56.93 56.89 1nio s PHE 164 Cb 0.10 -0.58 0.35 0.00 -0.57 0.00 0.00 43.02 42.32 1nio s PHE 164 CO 0.83 -0.19 1.93 0.87 -0.10 0.00 0.00 175.22 178.56 1nio h LYS 165 N 7.40 1.21 -0.95 0.44 1.79 -1.18 -1.74 116.57 123.54 1nio h LYS 165 Ca -0.36 -0.07 0.02 0.00 -2.18 0.00 0.00 60.65 58.05 1nio h LYS 165 Cb 1.14 -0.27 -0.05 0.00 -1.58 0.00 0.00 32.23 31.47 1nio h LYS 165 CO 0.44 0.80 0.62 -0.92 -1.08 0.00 0.00 179.45 179.31 1nio h TYR 166 N 1.25 1.18 -0.19 -1.35 3.20 -1.89 0.49 116.97 119.65 1nio h TYR 166 Ca 0.36 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 62.07 1nio h TYR 166 Cb -0.08 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 37.80 1nio h TYR 166 CO -0.00 0.72 -0.64 0.82 -1.64 0.00 0.00 178.16 177.42 1nio h ILE 167 N 1.25 1.30 -0.80 1.81 2.04 -1.69 -0.92 117.51 120.50 1nio h ILE 167 Ca 0.36 -1.88 0.08 0.00 1.00 0.00 0.00 64.86 64.42 1nio h ILE 167 Cb -0.09 1.84 -0.07 0.00 -0.74 0.00 0.00 36.82 37.76 1nio h ILE 167 CO -0.09 0.59 0.47 -0.08 0.00 0.00 0.00 178.15 179.04 1nio h GLU 168 N 0.50 0.81 -0.42 2.37 4.81 -0.86 -1.17 114.58 120.62 1nio h GLU 168 Ca -0.01 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1nio h GLU 168 Cb 1.23 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1nio h GLU 168 CO 0.13 0.54 0.06 0.78 -0.73 0.00 0.00 179.01 179.78 1nio h GLY 169 N 0.83 0.69 1.02 1.92 0.00 -0.50 -2.47 103.07 104.57 1nio h GLY 169 Ca 0.37 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 1nio h GLY 169 CO -0.21 0.37 0.29 1.46 0.00 0.00 0.00 176.54 178.45 1nio h GLN 170 N 0.62 1.04 -0.40 4.80 1.08 0.05 -1.59 115.11 120.71 1nio h GLN 170 Ca 0.14 -0.18 -0.07 0.00 -1.45 0.00 0.00 58.65 57.08 1nio h GLN 170 Cb 0.30 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1nio h GLN 170 CO 0.00 0.86 -0.03 0.82 -0.95 0.00 0.00 178.83 179.53 1nio h ILE 171 N 0.99 1.27 -0.71 2.54 1.08 -1.06 -2.50 117.51 119.12 1nio h ILE 171 Ca 0.23 -1.08 0.04 0.00 -0.39 0.00 0.00 64.86 63.67 1nio h ILE 171 Cb 0.20 1.16 -0.05 0.00 -3.07 0.00 0.00 36.82 35.06 1nio h ILE 171 CO -0.02 0.36 0.43 0.40 -0.69 0.00 0.00 178.15 178.63 1nio h ILE 172 N 0.55 1.07 0.00 -0.67 2.04 -1.24 -0.15 117.51 119.11 1nio h ILE 172 Ca 0.11 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1nio h ILE 172 Cb 0.53 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1nio h ILE 172 CO 0.03 0.15 -0.08 0.11 0.00 0.00 0.00 178.15 178.36 1nio h LYS 173 N 0.83 0.00 -0.58 2.37 1.57 -1.15 -2.31 116.57 117.31 1nio h LYS 173 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1nio h LYS 173 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1nio h LYS 173 CO -0.13 0.08 0.00 0.54 -0.57 0.00 0.00 179.45 179.37 1nio n ARG 174 N -3.40 2.45 0.04 3.15 1.74 -0.13 -4.42 116.66 116.09 1nio n ARG 174 Ca -0.01 -2.24 -0.12 0.00 -0.77 0.00 0.00 57.85 54.71 1nio n ARG 174 Cb 0.24 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.11 1nio n ARG 174 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1nio h ILE 175 N 3.76 1.04 0.00 0.55 2.04 -0.80 -3.05 117.51 121.05 1nio h ILE 175 Ca 0.00 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1nio h ILE 175 Cb 0.85 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1nio h ILE 175 CO 0.00 0.04 0.00 1.55 0.00 0.00 0.00 178.15 179.74 1nio h PRO 176 N -0.08 0.00 -2.00 2.37 0.13 -1.81 -3.38 132.00 127.23 1nio h PRO 176 Ca -0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1nio h PRO 176 Cb 0.08 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.00 1nio h PRO 176 CO 0.00 0.00 0.03 0.21 -0.23 0.00 0.00 178.00 178.01 1nio s LYS 177 N -3.54 0.72 0.49 0.86 2.20 -1.16 -5.07 119.74 114.24 1nio s LYS 177 Ca 0.03 1.21 -0.23 0.00 -0.36 0.00 0.00 55.97 56.62 1nio s LYS 177 Cb 0.08 0.17 -0.06 0.00 -1.51 0.00 0.00 37.83 36.50 1nio s LYS 177 CO 0.57 -0.14 1.27 -0.80 -0.36 0.00 0.00 175.35 175.89 1nio s ASN 178 N 1.51 5.79 -0.08 1.43 0.01 -1.25 -4.50 114.94 117.84 1nio s ASN 178 Ca -0.09 2.55 -0.27 0.00 -0.71 0.00 0.00 52.86 54.34 1nio s ASN 178 Cb -0.05 -2.62 0.06 0.00 0.41 0.00 0.00 41.25 39.05 1nio s ASN 178 CO -0.18 -1.20 0.62 -0.70 -1.51 0.00 0.00 177.10 174.13 1nio s GLU 179 N -2.74 0.94 0.64 -0.60 2.56 -0.56 -4.89 118.70 114.05 1nio s GLU 179 Ca 0.66 0.31 -0.18 0.00 0.00 0.00 0.00 54.97 55.76 1nio s GLU 179 Cb -0.35 0.44 -0.01 0.00 2.00 0.00 0.00 34.13 36.21 1nio s GLU 179 CO 0.42 -0.26 1.27 0.14 -0.56 0.00 0.00 175.26 176.27 1nio s VAL 180 N -0.93 2.16 0.85 3.70 -7.23 -1.26 -1.55 120.40 116.14 1nio s VAL 180 Ca -0.09 0.10 -0.11 0.00 -1.81 0.00 0.00 61.98 60.06 1nio s VAL 180 Cb -0.02 -3.02 0.10 0.00 0.56 0.00 0.00 36.38 34.00 1nio s VAL 180 CO 0.07 -0.02 1.09 -2.16 -0.31 0.00 0.00 175.10 173.77 1nio s PRO 181 N -3.39 1.65 0.61 4.82 0.04 -1.26 -4.86 135.00 132.61 1nio s PRO 181 Ca 0.81 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 62.72 1nio s PRO 181 Cb -0.36 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1nio s PRO 181 CO 0.39 -2.01 1.02 -1.54 0.04 0.00 0.00 177.00 174.89 1nio s SER 182 N -3.39 6.24 0.46 6.66 1.04 -1.26 -4.94 113.70 118.51 1nio s SER 182 Ca 0.63 1.40 0.12 0.00 0.48 0.00 0.00 55.95 58.57 1nio s SER 182 Cb -0.18 -2.46 1.06 0.00 0.10 0.00 0.00 66.02 64.54 1nio s SER 182 CO 0.57 -0.85 2.09 -0.65 0.98 0.00 0.00 173.24 175.38 1nio h PRO 183 N -0.28 0.25 -0.81 4.02 0.11 -1.95 -1.93 132.00 131.41 1nio h PRO 183 Ca -0.44 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1nio h PRO 183 Cb 1.19 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1nio h PRO 183 CO 0.62 0.18 0.36 0.00 -0.21 0.00 0.00 178.00 178.95 1nio h ALA 184 N 1.86 1.05 -0.26 -0.75 0.00 -1.75 -0.96 119.26 118.45 1nio h ALA 184 Ca 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1nio h ALA 184 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1nio h ALA 184 CO -0.01 0.65 0.11 0.00 0.00 0.00 0.00 179.25 179.99 1nio h ALA 185 N 1.19 0.34 -0.15 0.00 0.00 -1.67 -2.16 119.26 116.80 1nio h ALA 185 Ca 0.28 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1nio h ALA 185 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1nio h ALA 185 CO -0.03 -0.07 -0.20 -0.07 0.00 0.00 0.00 179.25 178.88 1nio h LEU 186 N 0.27 0.25 -0.58 0.00 3.38 -1.33 -1.92 115.31 115.38 1nio h LEU 186 Ca 0.09 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1nio h LEU 186 Cb 0.17 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1nio h LEU 186 CO -0.01 0.47 0.06 -1.28 0.09 0.00 0.00 178.44 177.77 1nio h SER 187 N 0.24 0.95 -0.48 -0.43 0.87 -0.89 -2.06 113.55 111.75 1nio h SER 187 Ca 0.04 -0.28 -0.08 0.00 -1.23 0.00 0.00 61.79 60.24 1nio h SER 187 Cb 0.49 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1nio h SER 187 CO 0.03 0.99 -0.03 -0.07 -0.53 0.00 0.00 176.83 177.23 1nio h LEU 188 N 0.88 0.86 -0.34 2.23 3.38 -0.97 -2.10 115.31 119.24 1nio h LEU 188 Ca 0.17 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.88 1nio h LEU 188 Cb 0.46 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1nio h LEU 188 CO 0.02 0.97 0.01 -0.33 0.09 0.00 0.00 178.44 179.20 1nio h GLU 189 N 0.72 0.11 -0.02 1.13 5.08 -1.15 -1.89 114.58 118.56 1nio h GLU 189 Ca 0.13 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1nio h GLU 189 Cb 0.55 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1nio h GLU 189 CO 0.03 0.07 -0.24 -0.91 -1.00 0.00 0.00 179.01 176.97 1nio h ASN 190 N 0.11 0.03 -0.68 1.42 2.35 -1.21 -3.11 115.58 114.49 1nio h ASN 190 Ca 0.17 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1nio h ASN 190 Cb 0.22 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1nio h ASN 190 CO -0.27 0.27 0.00 -0.62 -1.65 0.00 0.00 177.43 175.16 1nio n GLU 191 N -4.25 3.05 -0.18 0.81 -0.58 -0.81 -4.60 120.64 114.08 1nio n GLU 191 Ca -0.02 -2.70 -0.03 0.00 -0.42 0.00 0.00 57.16 53.99 1nio n GLU 191 Cb 0.30 -1.65 0.07 0.00 -0.57 0.00 0.00 31.44 29.59 1nio n GLU 191 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 1nio h TRP 192 N 4.07 0.48 -0.18 -0.32 7.01 -1.29 0.14 115.95 125.86 1nio h TRP 192 Ca 0.00 0.02 -0.15 0.00 2.11 0.00 0.00 58.89 60.87 1nio h TRP 192 Cb 1.12 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 28.04 1nio h TRP 192 CO 0.56 0.21 -0.52 0.66 -2.79 0.00 0.00 178.44 176.57 1nio h SER 193 N 0.51 0.55 -0.35 2.65 4.64 -1.85 -0.89 113.55 118.81 1nio h SER 193 Ca 0.25 -0.28 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 1nio h SER 193 Cb 0.20 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1nio h SER 193 CO -0.19 0.97 0.00 0.00 -0.87 0.00 0.00 176.83 176.74 1nio h ALA 194 N 1.05 0.47 -0.62 5.18 0.00 -1.73 -0.96 119.26 122.64 1nio h ALA 194 Ca 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1nio h ALA 194 Cb 1.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1nio h ALA 194 CO 0.09 0.23 0.23 -0.07 0.00 0.00 0.00 179.25 179.74 1nio h LEU 195 N 0.43 0.87 -0.49 0.00 3.38 -0.67 -1.02 115.31 117.81 1nio h LEU 195 Ca 0.10 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1nio h LEU 195 Cb 0.45 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1nio h LEU 195 CO 0.02 0.82 0.32 0.28 0.09 0.00 0.00 178.44 179.97 1nio h SER 196 N 0.88 0.56 -0.36 -0.43 0.02 -1.01 -1.59 113.55 111.61 1nio h SER 196 Ca 0.21 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1nio h SER 196 Cb 0.23 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1nio h SER 196 CO -0.01 0.41 0.13 0.50 -1.14 0.00 0.00 176.83 176.71 1nio h LYS 197 N 0.66 0.55 -0.31 3.45 3.64 -0.86 -2.81 116.57 120.90 1nio h LYS 197 Ca 0.18 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 1nio h LYS 197 Cb -0.08 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1nio h LYS 197 CO -0.04 0.55 -0.22 1.96 -2.27 0.00 0.00 179.45 179.44 1nio h GLN 198 N 0.43 0.58 -0.49 1.90 1.08 -1.01 -1.35 115.11 116.25 1nio h GLN 198 Ca 0.12 -0.21 -0.06 0.00 -1.45 0.00 0.00 58.65 57.04 1nio h GLN 198 Cb 0.22 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1nio h GLN 198 CO -0.01 0.76 0.04 0.82 -0.95 0.00 0.00 178.83 179.49 1nio h ILE 199 N 0.51 1.23 -0.22 2.54 2.04 -1.22 0.15 117.51 122.55 1nio h ILE 199 Ca 0.08 -0.93 -0.20 0.00 1.00 0.00 0.00 64.86 64.80 1nio h ILE 199 Cb 0.66 0.82 0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1nio h ILE 199 CO 0.05 0.33 -0.65 1.56 0.00 0.00 0.00 178.15 179.44 1nio h GLN 200 N 0.75 0.83 -0.42 2.37 4.20 -1.21 -3.12 115.11 118.52 1nio h GLN 200 Ca 0.15 -0.60 -0.08 0.00 0.06 0.00 0.00 58.65 58.18 1nio h GLN 200 Cb 0.40 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1nio h GLN 200 CO 0.01 1.22 -0.08 -0.07 -0.67 0.00 0.00 178.83 179.25 1nio h LEU 201 N 0.59 0.70 -2.31 1.46 3.38 -0.96 -2.55 115.31 115.63 1nio h LEU 201 Ca -0.02 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.79 1nio h LEU 201 Cb 1.28 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1nio h LEU 201 CO 0.14 0.82 0.20 0.00 0.09 0.00 0.00 178.44 179.70 1nio h ALA 202 N 1.25 1.56 -0.20 1.53 0.00 -0.63 -2.26 119.26 120.52 1nio h ALA 202 Ca 0.12 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1nio h ALA 202 Cb 0.53 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1nio h ALA 202 CO 0.03 -0.26 0.14 1.96 0.00 0.00 0.00 179.25 181.11 1nio h GLN 203 N 0.00 0.18 -0.34 0.00 1.08 -1.49 -0.96 115.11 113.58 1nio h GLN 203 Ca 0.06 -0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.11 1nio h GLN 203 Cb 0.46 -0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 27.77 1nio h GLN 203 CO -0.00 0.12 -0.02 0.25 -0.95 0.00 0.00 178.83 178.22 1nio n THR 204 N -4.50 2.49 -2.32 -0.54 -2.24 -0.85 -4.45 114.28 101.86 1nio n THR 204 Ca 0.01 -2.44 0.04 0.00 -2.27 0.00 0.00 64.05 59.39 1nio n THR 204 Cb 0.14 -0.31 0.05 0.00 -2.10 0.00 0.00 70.33 68.11 1nio n THR 204 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1nio n ASN 205 N -0.95 1.05 -3.69 3.42 5.15 -0.58 -5.00 115.26 114.66 1nio n ASN 205 Ca 0.30 -2.28 -0.27 0.00 -0.60 0.00 0.00 54.58 51.74 1nio n ASN 205 Cb 1.01 -0.33 0.05 0.00 -0.53 0.00 0.00 39.78 39.99 1nio n ASN 205 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1nio n ASN 206 N 0.22 -5.65 0.00 1.20 5.15 -1.18 -2.22 115.26 112.77 1nio n ASN 206 Ca 0.08 -0.62 0.00 0.00 -0.60 0.00 0.00 54.58 53.43 1nio n ASN 206 Cb 1.05 -4.48 0.00 0.00 -0.53 0.00 0.00 39.78 35.82 1nio n ASN 206 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1nio n GLY 207 N -1.82 2.60 3.82 8.20 0.00 -0.47 -5.02 105.19 112.49 1nio n GLY 207 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1nio n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nio s ALA 208 N -2.61 3.63 0.37 4.61 0.00 -0.94 -1.23 121.76 125.60 1nio s ALA 208 Ca 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 51.96 51.63 1nio s ALA 208 Cb 0.00 -2.54 -0.09 0.00 0.00 0.00 0.00 23.12 20.49 1nio s ALA 208 CO 0.00 0.43 1.14 -0.06 0.00 0.00 0.00 175.76 177.27 1nio s PHE 209 N -1.11 3.20 0.15 0.00 2.99 0.11 -4.27 117.98 119.05 1nio s PHE 209 Ca 0.27 1.59 -0.11 0.00 0.00 0.00 0.00 56.93 58.69 1nio s PHE 209 Cb -0.18 -3.34 -0.02 0.00 0.00 0.00 0.00 43.02 39.48 1nio s PHE 209 CO 0.17 -1.07 1.51 0.00 -0.00 0.00 0.00 175.22 175.82 1nio h ARG 210 N 2.88 0.97 -4.08 0.44 2.47 -1.88 -3.42 114.38 111.75 1nio h ARG 210 Ca -0.48 -0.47 -0.46 0.00 -1.26 0.00 0.00 59.98 57.31 1nio h ARG 210 Cb 1.23 -0.01 -0.35 0.00 -1.65 0.00 0.00 29.97 29.19 1nio h ARG 210 CO 0.63 1.13 -0.78 0.99 0.56 0.00 0.00 179.97 182.50 1nio s THR 211 N -4.52 0.70 0.57 2.04 2.01 -1.26 -5.13 115.64 110.05 1nio s THR 211 Ca -0.11 -0.16 -0.20 0.00 0.31 0.00 0.00 61.69 61.52 1nio s THR 211 Cb 0.12 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 1nio s THR 211 CO 0.88 0.28 1.29 -2.16 -0.69 0.00 0.00 174.62 174.22 1nio s PRO 212 N 1.25 3.04 -0.16 4.92 0.04 -1.26 -4.97 135.00 137.87 1nio s PRO 212 Ca -0.05 2.06 -0.06 0.00 0.04 0.00 0.00 61.00 62.99 1nio s PRO 212 Cb -0.14 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1nio s PRO 212 CO -0.02 -1.21 0.06 0.08 0.04 0.00 0.00 177.00 175.95 1nio s VAL 213 N -1.41 4.81 -0.18 -0.36 1.01 -0.23 -4.92 120.40 119.14 1nio s VAL 213 Ca 0.74 -0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.64 1nio s VAL 213 Cb -0.36 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1nio s VAL 213 CO 0.41 0.51 -0.00 -0.69 0.00 0.00 0.00 175.10 175.33 1nio s VAL 214 N -0.04 4.10 0.37 2.92 1.01 -1.26 -0.44 120.40 127.05 1nio s VAL 214 Ca 0.06 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1nio s VAL 214 Cb -0.12 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1nio s VAL 214 CO 0.01 0.46 0.19 0.27 0.00 0.00 0.00 175.10 176.03 1nio s ILE 215 N 0.61 0.33 0.04 2.22 -4.36 -0.53 -4.98 121.20 114.54 1nio s ILE 215 Ca -0.01 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.46 1nio s ILE 215 Cb -0.14 -2.41 -0.03 0.00 1.25 0.00 0.00 42.46 41.13 1nio s ILE 215 CO 0.02 0.00 -0.21 0.27 0.24 0.00 0.00 174.94 175.26 1nio s ILE 216 N -3.34 2.57 0.55 8.37 -4.36 -1.26 -0.73 121.20 122.99 1nio s ILE 216 Ca 0.31 -1.26 -0.01 0.00 -0.26 0.00 0.00 60.65 59.43 1nio s ILE 216 Cb 0.03 -2.05 0.11 0.00 1.25 0.00 0.00 42.46 41.79 1nio s ILE 216 CO 0.20 0.35 0.75 -0.90 0.24 0.00 0.00 174.94 175.58 1nio n ASP 217 N 1.63 0.90 0.25 4.36 3.85 0.22 -4.27 116.55 123.49 1nio n ASP 217 Ca -0.16 -1.78 0.17 0.00 -0.71 0.00 0.00 54.79 52.30 1nio n ASP 217 Cb 0.52 -0.50 0.87 0.00 -1.35 0.00 0.00 41.12 40.67 1nio n ASP 217 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1nio h ASN 218 N -0.52 0.00 -0.04 -1.12 7.08 -1.96 0.07 115.58 119.10 1nio h ASN 218 Ca -0.25 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.97 1nio h ASN 218 Cb 0.89 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.13 1nio h ASN 218 CO 0.26 0.00 0.00 0.29 -2.08 0.00 0.00 177.43 175.90 1nio n LYS 219 N -2.71 2.12 -0.80 4.14 5.02 -1.26 -4.94 118.16 119.73 1nio n LYS 219 Ca -0.02 -1.63 0.00 0.00 -2.02 0.00 0.00 58.31 54.64 1nio n LYS 219 Cb 0.10 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1nio n LYS 219 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nio n GLY 220 N 1.30 0.55 3.85 0.72 0.00 0.01 -5.05 105.19 106.57 1nio n GLY 220 Ca 0.16 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1nio n GLY 220 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nio s GLN 221 N -0.92 3.22 0.09 1.61 -0.21 -1.26 -4.79 119.66 117.40 1nio s GLN 221 Ca 0.00 -0.46 -0.31 0.00 0.02 0.00 0.00 55.36 54.61 1nio s GLN 221 Cb 0.00 -2.95 -0.07 0.00 1.00 0.00 0.00 33.01 30.99 1nio s GLN 221 CO 0.00 0.63 1.36 0.50 -2.12 0.00 0.00 175.29 175.66 1nio s ARG 222 N -2.08 4.33 0.00 2.91 3.52 -1.26 -0.61 118.95 125.76 1nio s ARG 222 Ca 0.28 2.00 0.02 0.00 -0.13 0.00 0.00 55.73 57.90 1nio s ARG 222 Cb -0.12 -3.32 -0.01 0.00 -1.56 0.00 0.00 34.95 29.94 1nio s ARG 222 CO 0.20 -0.43 -0.06 0.08 -0.81 0.00 0.00 175.30 174.28 1nio s VAL 223 N 1.31 0.48 -0.15 7.11 1.01 0.09 -4.92 120.40 125.32 1nio s VAL 223 Ca 0.63 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.21 1nio s VAL 223 Cb -0.35 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1nio s VAL 223 CO 0.29 0.06 0.01 -1.61 0.00 0.00 0.00 175.10 173.86 1nio s GLU 224 N -0.33 3.65 -0.23 2.72 2.02 -1.26 -1.45 118.70 123.83 1nio s GLU 224 Ca 0.01 -0.42 -0.07 0.00 0.02 0.00 0.00 54.97 54.50 1nio s GLU 224 Cb -0.03 -3.01 -0.03 0.00 0.10 0.00 0.00 34.13 31.15 1nio s GLU 224 CO -0.00 0.36 0.07 0.42 0.02 0.00 0.00 175.26 176.13 1nio s ILE 225 N 0.09 4.47 0.00 -1.63 -1.09 0.41 -4.95 121.20 118.50 1nio s ILE 225 Ca 0.02 -0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.32 1nio s ILE 225 Cb -0.13 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.68 1nio s ILE 225 CO 0.02 0.37 0.41 2.29 -1.23 0.00 0.00 174.94 176.79 1nio n LYS 226 N 4.53 0.12 -3.68 2.79 2.85 -1.26 -1.06 118.16 122.45 1nio n LYS 226 Ca -0.16 -0.48 -0.10 0.00 -1.05 0.00 0.00 58.31 56.52 1nio n LYS 226 Cb 0.52 -0.75 -0.04 0.00 -0.65 0.00 0.00 35.03 34.11 1nio n LYS 226 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1nio s ASP 227 N -0.15 -0.29 0.00 -5.58 -1.08 -1.26 0.06 116.67 108.36 1nio s ASP 227 Ca 0.00 -0.39 0.20 0.00 -0.52 0.00 0.00 52.55 51.84 1nio s ASP 227 Cb 0.00 0.56 1.04 0.00 -1.46 0.00 0.00 42.92 43.06 1nio s ASP 227 CO 0.00 -1.00 1.62 1.33 0.52 0.00 0.00 175.17 177.64 1nio n VAL 228 N -0.32 0.34 1.43 1.11 0.24 -0.36 -2.60 118.33 118.15 1nio n VAL 228 Ca -0.12 0.08 0.14 0.00 -2.04 0.00 0.00 64.34 62.40 1nio n VAL 228 Cb 0.63 -0.76 0.55 0.00 -1.47 0.00 0.00 33.84 32.79 1nio n VAL 228 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1nio n ASN 229 N -1.24 0.84 -4.75 -1.34 3.02 -1.26 -4.38 115.26 106.15 1nio n ASN 229 Ca 0.10 -0.92 -0.36 0.00 -0.03 0.00 0.00 54.58 53.38 1nio n ASN 229 Cb 0.15 0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.37 1nio n ASN 229 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1nio s SER 230 N -2.33 5.03 0.50 6.41 0.15 -1.07 -4.82 113.70 117.56 1nio s SER 230 Ca 0.31 2.37 0.22 0.00 0.70 0.00 0.00 55.95 59.55 1nio s SER 230 Cb 0.20 -2.60 1.31 0.00 -1.71 0.00 0.00 66.02 63.23 1nio s SER 230 CO 0.45 -1.70 2.07 0.07 1.20 0.00 0.00 173.24 175.32 1nio h LYS 231 N 0.66 0.00 -0.09 5.44 -0.00 -1.92 -1.61 116.57 119.07 1nio h LYS 231 Ca -0.50 0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 60.10 1nio h LYS 231 Cb 1.30 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.52 1nio h LYS 231 CO 0.54 0.12 -0.20 0.28 -0.00 0.00 0.00 179.45 180.20 1nio h VAL 232 N 0.00 1.19 0.12 0.07 2.07 -1.90 -0.27 116.25 117.52 1nio h VAL 232 Ca -0.00 -0.85 -0.35 0.00 0.82 0.00 0.00 66.70 66.32 1nio h VAL 232 Cb 0.27 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1nio h VAL 232 CO 0.02 0.26 -1.88 0.58 0.02 0.00 0.00 177.57 176.57 1nio h VAL 233 N 0.13 0.70 0.00 2.57 2.07 -1.62 -1.86 116.25 118.25 1nio h VAL 233 Ca 0.02 -2.35 -0.20 0.00 0.82 0.00 0.00 66.70 65.00 1nio h VAL 233 Cb 0.43 2.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 1nio h VAL 233 CO 0.03 0.83 -0.95 0.71 0.02 0.00 0.00 177.57 178.21 1nio h THR 234 N -0.04 1.68 -1.25 2.57 1.35 -1.34 -3.41 112.91 112.46 1nio h THR 234 Ca -0.40 -3.27 -0.39 0.00 -0.55 0.00 0.00 66.41 61.79 1nio h THR 234 Cb 1.96 2.77 -0.40 0.00 -1.73 0.00 0.00 68.15 70.75 1nio h THR 234 CO 0.07 0.93 -1.20 -3.20 -0.25 0.00 0.00 175.52 171.88 1nio n ASN 235 N -3.39 1.31 0.00 5.36 5.15 -0.12 -4.97 115.26 118.60 1nio n ASN 235 Ca -0.00 -2.79 0.00 0.00 -0.60 0.00 0.00 54.58 51.19 1nio n ASN 235 Cb 0.90 -0.55 0.00 0.00 -0.53 0.00 0.00 39.78 39.60 1nio n ASN 235 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1nio n ASN 236 N 0.02 0.00 -4.74 1.20 2.85 -1.22 -4.82 115.26 108.55 1nio n ASN 236 Ca 0.13 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.19 1nio n ASN 236 Cb 0.78 0.38 -0.02 0.00 1.24 0.00 0.00 39.78 42.16 1nio n ASN 236 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1nio s ILE 237 N -0.82 2.57 -0.12 -1.44 2.07 -0.70 -0.81 121.20 121.95 1nio s ILE 237 Ca 0.00 0.48 0.02 0.00 -1.41 0.00 0.00 60.65 59.73 1nio s ILE 237 Cb 0.00 -3.30 -0.01 0.00 0.13 0.00 0.00 42.46 39.27 1nio s ILE 237 CO 0.00 0.07 0.17 0.29 -1.91 0.00 0.00 174.94 173.57 1nio n LYS 238 N 2.42 4.97 -3.80 3.50 4.76 0.11 -4.91 118.16 125.19 1nio n LYS 238 Ca 0.07 -0.13 -0.13 0.00 -2.87 0.00 0.00 58.31 55.26 1nio n LYS 238 Cb 0.40 -0.68 -0.12 0.00 -1.84 0.00 0.00 35.03 32.79 1nio n LYS 238 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1nio s LEU 239 N -1.69 1.21 -0.13 -0.35 1.43 -1.25 -4.24 118.68 113.66 1nio s LEU 239 Ca 0.01 0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1nio s LEU 239 Cb 0.01 0.72 -0.02 0.00 0.03 0.00 0.00 46.19 46.94 1nio s LEU 239 CO 0.06 -0.08 -0.13 -0.76 0.23 0.00 0.00 176.35 175.67 1nio s LEU 240 N 0.06 2.75 0.10 1.79 1.43 -0.66 -4.96 118.68 119.19 1nio s LEU 240 Ca -0.00 -0.31 -0.31 0.00 -1.03 0.00 0.00 54.13 52.47 1nio s LEU 240 Cb -0.02 -1.62 -0.07 0.00 0.03 0.00 0.00 46.19 44.51 1nio s LEU 240 CO 0.00 0.17 1.31 -0.22 0.23 0.00 0.00 176.35 177.85 1nio s LEU 241 N 0.32 4.37 0.29 1.79 2.96 -1.26 -1.14 118.68 126.01 1nio s LEU 241 Ca -0.10 2.21 -0.29 0.00 -0.22 0.00 0.00 54.13 55.72 1nio s LEU 241 Cb -0.16 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.84 1nio s LEU 241 CO 0.05 -0.57 1.45 0.21 -1.32 0.00 0.00 176.35 176.17 1nio s ASN 242 N 1.04 6.58 0.57 3.68 3.84 -1.26 -4.59 114.94 124.81 1nio s ASN 242 Ca 0.62 2.77 0.27 0.00 0.21 0.00 0.00 52.86 56.74 1nio s ASN 242 Cb -0.34 -2.64 1.54 0.00 -0.55 0.00 0.00 41.25 39.27 1nio s ASN 242 CO 0.30 -0.73 2.04 0.07 -2.79 0.00 0.00 177.10 175.99 1nio h LYS 243 N 4.42 0.00 0.00 0.43 2.10 -1.92 0.53 116.57 122.13 1nio h LYS 243 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1nio h LYS 243 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1nio h LYS 243 CO 0.74 0.00 0.00 1.96 -2.00 0.00 0.00 179.45 180.15 1nio h GLN 244 N 0.00 0.00 -0.58 0.07 4.20 -1.93 -2.14 115.11 114.73 1nio h GLN 244 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1nio h GLN 244 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1nio h GLN 244 CO -0.00 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.25 1nio n ASN 245 N -2.77 3.93 0.00 1.46 5.03 0.18 -4.74 115.26 118.34 1nio n ASN 245 Ca 0.00 -2.20 0.00 0.00 0.87 0.00 0.00 54.58 53.25 1nio n ASN 245 Cb 0.22 -0.45 0.00 0.00 -1.02 0.00 0.00 39.78 38.53 1nio n ASN 245 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1nio n ILE 246 N 1.05 0.00 -0.76 2.41 5.41 -0.81 -4.98 119.36 121.68 1nio n ILE 246 Ca 0.21 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.96 1nio n ILE 246 Cb 0.67 -0.48 0.00 0.00 -0.71 0.00 0.00 39.64 39.12 1nio n ILE 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55