#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c9x s GLU 2 N 0.00 4.43 0.85 1.64 2.12 -1.26 -5.01 118.70 121.47 1c9x s GLU 2 Ca 0.00 2.11 -0.12 0.00 0.36 0.00 0.00 54.97 57.33 1c9x s GLU 2 Cb 0.00 -3.10 0.10 0.00 0.26 0.00 0.00 34.13 31.39 1c9x s GLU 2 CO 0.00 -0.08 1.10 0.95 -0.54 0.00 0.00 175.26 176.68 1c9x s THR 3 N -1.14 2.82 0.25 -1.70 -4.23 -1.26 -4.84 115.64 105.55 1c9x s THR 3 Ca 0.48 0.27 -0.04 0.00 -1.18 0.00 0.00 61.69 61.22 1c9x s THR 3 Cb -0.38 -2.87 0.16 0.00 1.34 0.00 0.00 72.50 70.75 1c9x s THR 3 CO 0.50 -0.35 1.81 0.00 -0.54 0.00 0.00 174.62 176.04 1c9x h ALA 4 N -1.34 1.15 -0.56 3.99 0.00 -1.95 -1.57 119.26 118.98 1c9x h ALA 4 Ca -0.48 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.18 1c9x h ALA 4 Cb 1.28 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1c9x h ALA 4 CO 0.57 0.59 0.13 0.00 0.00 0.00 0.00 179.25 180.54 1c9x h ALA 5 N 1.28 0.74 -0.53 0.00 0.00 -1.90 -2.18 119.26 116.66 1c9x h ALA 5 Ca 0.22 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1c9x h ALA 5 Cb 0.25 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1c9x h ALA 5 CO -0.01 0.44 -0.07 0.00 0.00 0.00 0.00 179.25 179.61 1c9x h ALA 6 N 1.02 0.88 -0.34 0.00 0.00 -1.85 -2.46 119.26 116.50 1c9x h ALA 6 Ca 0.17 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1c9x h ALA 6 Cb 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1c9x h ALA 6 CO 0.00 0.65 -0.06 -0.22 0.00 0.00 0.00 179.25 179.62 1c9x h LYS 7 N 0.87 0.56 -0.65 0.00 3.64 -1.09 -1.34 116.57 118.56 1c9x h LYS 7 Ca 0.15 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1c9x h LYS 7 Cb 0.60 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1c9x h LYS 7 CO 0.04 0.63 0.15 0.35 -2.27 0.00 0.00 179.45 178.34 1c9x h PHE 8 N 0.52 1.11 -0.15 1.91 3.04 -1.16 -0.03 116.94 122.18 1c9x h PHE 8 Ca 0.10 -0.14 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 1c9x h PHE 8 Cb 0.43 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.62 1c9x h PHE 8 CO 0.02 0.92 0.06 0.93 -2.02 0.00 0.00 178.31 178.21 1c9x h GLU 9 N 0.98 0.23 -0.36 1.11 5.08 -1.10 0.26 114.58 120.79 1c9x h GLU 9 Ca 0.20 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1c9x h GLU 9 Cb 0.38 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1c9x h GLU 9 CO 0.00 0.32 0.18 -0.09 -1.00 0.00 0.00 179.01 178.43 1c9x h ARG 10 N 0.08 0.51 0.00 2.33 2.43 -1.13 -0.73 114.38 117.87 1c9x h ARG 10 Ca 0.05 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 1c9x h ARG 10 Cb 0.18 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1c9x h ARG 10 CO -0.00 0.45 -0.82 1.96 -1.51 0.00 0.00 179.97 180.05 1c9x h GLN 11 N 0.44 0.00 0.00 0.20 4.20 -0.86 -3.40 115.11 115.69 1c9x h GLN 11 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1c9x h GLN 11 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1c9x h GLN 11 CO -0.02 0.82 -0.19 0.72 -0.67 0.00 0.00 178.83 179.49 1c9x n HIS 12 N -3.38 0.00 -3.61 2.96 8.25 0.91 -4.67 115.22 115.68 1c9x n HIS 12 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1c9x n HIS 12 Cb 0.84 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.87 1c9x n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1c9x s MET 13 N -1.26 4.13 -0.41 -0.41 -1.94 -0.29 -0.33 119.30 118.79 1c9x s MET 13 Ca 0.00 0.02 0.06 0.00 -1.71 0.00 0.00 55.69 54.07 1c9x s MET 13 Cb 0.01 -3.39 0.22 0.00 2.01 0.00 0.00 34.83 33.68 1c9x s MET 13 CO 0.07 0.34 0.46 -3.47 -0.01 0.00 0.00 175.02 172.41 1c9x n ASP 14 N 3.28 0.11 0.00 3.03 2.03 -0.37 -4.87 116.55 119.76 1c9x n ASP 14 Ca -0.14 -2.61 0.14 0.00 0.52 0.00 0.00 54.79 52.70 1c9x n ASP 14 Cb 0.52 -0.61 0.72 0.00 -0.72 0.00 0.00 41.12 41.03 1c9x n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1c9x n SER 15 N 1.94 0.00 0.03 1.67 7.64 -1.26 -3.64 113.62 120.00 1c9x n SER 15 Ca 0.25 -0.13 0.12 0.00 1.01 0.00 0.00 58.87 60.13 1c9x n SER 15 Cb 0.50 -0.28 0.52 0.00 -1.01 0.00 0.00 64.21 63.94 1c9x n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1c9x n SER 16 N -1.28 0.20 -4.12 6.43 3.41 -1.26 -4.79 113.62 112.21 1c9x n SER 16 Ca 0.14 0.52 -0.17 0.00 -0.26 0.00 0.00 58.87 59.10 1c9x n SER 16 Cb 0.23 -0.58 -0.12 0.00 -0.26 0.00 0.00 64.21 63.48 1c9x n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1c9x s THR 17 N -3.04 0.88 -0.20 6.66 -4.23 -1.24 -5.04 115.64 109.44 1c9x s THR 17 Ca 0.12 -1.15 0.20 0.00 -1.18 0.00 0.00 61.69 59.67 1c9x s THR 17 Cb 0.15 -0.87 0.20 0.00 1.34 0.00 0.00 72.50 73.32 1c9x s THR 17 CO 0.49 -0.24 1.58 0.77 -0.54 0.00 0.00 174.62 176.68 1c9x h SER 18 N 4.50 0.00 -4.24 3.99 4.64 -1.87 -3.44 113.55 117.14 1c9x h SER 18 Ca -0.38 0.00 0.34 0.00 -0.47 0.00 0.00 61.79 61.28 1c9x h SER 18 Cb 1.19 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.08 1c9x h SER 18 CO 0.41 0.27 0.98 0.00 -0.87 0.00 0.00 176.83 177.63 1c9x s ALA 19 N -3.17 -2.24 -0.07 5.18 0.00 -1.26 -4.84 121.76 115.35 1c9x s ALA 19 Ca 0.04 1.81 -0.30 0.00 0.00 0.00 0.00 51.96 53.52 1c9x s ALA 19 Cb 0.07 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 1c9x s ALA 19 CO 0.70 -0.60 1.51 0.00 0.00 0.00 0.00 175.76 177.37 1c9x s ALA 20 N -2.03 3.63 -2.10 0.00 0.00 -1.26 -4.91 121.76 115.08 1c9x s ALA 20 Ca 0.12 0.82 0.18 0.00 0.00 0.00 0.00 51.96 53.08 1c9x s ALA 20 Cb -0.00 -3.69 0.25 0.00 0.00 0.00 0.00 23.12 19.68 1c9x s ALA 20 CO -0.03 -1.25 1.18 -1.13 0.00 0.00 0.00 175.76 174.53 1c9x n SER 21 N 6.66 2.82 -4.02 0.00 3.41 -1.26 -4.91 113.62 116.32 1c9x n SER 21 Ca 0.16 -1.84 -0.09 0.00 -0.26 0.00 0.00 58.87 56.84 1c9x n SER 21 Cb 0.43 -0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.17 1c9x n SER 21 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1c9x s SER 22 N -1.39 0.37 0.00 4.04 0.15 -1.26 -5.01 113.70 110.60 1c9x s SER 22 Ca 0.26 -0.65 0.23 0.00 0.70 0.00 0.00 55.95 56.50 1c9x s SER 22 Cb 0.17 0.12 1.06 0.00 -1.71 0.00 0.00 66.02 65.66 1c9x s SER 22 CO 0.24 -0.38 1.74 -1.54 1.20 0.00 0.00 173.24 174.51 1c9x n SER 23 N 1.16 0.00 -0.61 5.45 3.41 -1.26 -2.35 113.62 119.42 1c9x n SER 23 Ca -0.21 0.23 0.12 0.00 -0.26 0.00 0.00 58.87 58.76 1c9x n SER 23 Cb 0.57 -0.39 0.23 0.00 -0.26 0.00 0.00 64.21 64.35 1c9x n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1c9x n ASN 24 N -1.39 2.06 -0.20 4.04 2.85 -1.26 -4.41 115.26 116.95 1c9x n ASN 24 Ca 0.08 -1.57 0.01 0.00 -0.11 0.00 0.00 54.58 52.98 1c9x n ASN 24 Cb 0.22 0.13 0.10 0.00 1.24 0.00 0.00 39.78 41.48 1c9x n ASN 24 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1c9x h TYR 25 N 3.00 0.01 -0.58 1.20 5.03 -1.87 -1.95 116.97 121.81 1c9x h TYR 25 Ca 0.00 0.04 -0.06 0.00 2.58 0.00 0.00 58.73 61.29 1c9x h TYR 25 Cb 0.73 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.08 1c9x h TYR 25 CO 0.00 -0.13 0.12 0.00 -1.32 0.00 0.00 178.16 176.82 1c9x h ASN 27 N 0.85 1.11 -0.10 0.00 2.35 -1.68 -0.59 115.58 117.52 1c9x h ASN 27 Ca 0.18 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.84 1c9x h ASN 27 Cb 0.38 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1c9x h ASN 27 CO 0.01 0.78 -0.22 1.56 -1.65 0.00 0.00 177.43 177.91 1c9x h GLN 28 N 1.30 0.32 -0.39 0.81 4.20 -0.92 -3.10 115.11 117.33 1c9x h GLN 28 Ca 0.38 -0.22 -0.12 0.00 0.06 0.00 0.00 58.65 58.75 1c9x h GLN 28 Cb -0.07 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1c9x h GLN 28 CO -0.10 0.82 -0.24 0.52 -0.67 0.00 0.00 178.83 179.15 1c9x h MET 29 N -0.13 0.80 -0.20 1.46 2.86 -0.70 -1.07 114.93 117.94 1c9x h MET 29 Ca -0.00 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.28 1c9x h MET 29 Cb 0.82 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 1c9x h MET 29 CO 0.05 0.96 0.04 0.52 1.06 0.00 0.00 176.91 179.54 1c9x h MET 30 N 0.69 0.28 0.07 1.72 2.86 -1.19 -0.79 114.93 118.57 1c9x h MET 30 Ca 0.09 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 1c9x h MET 30 Cb 0.77 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.39 1c9x h MET 30 CO 0.06 0.28 -0.42 -0.22 1.06 0.00 0.00 176.91 177.67 1c9x h LYS 31 N 0.28 0.16 -0.36 1.72 3.64 -1.41 0.15 116.57 120.76 1c9x h LYS 31 Ca 0.07 -0.27 0.05 0.00 -1.27 0.00 0.00 60.65 59.23 1c9x h LYS 31 Cb 0.14 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1c9x h LYS 31 CO -0.00 1.12 0.24 0.66 -2.27 0.00 0.00 179.45 179.21 1c9x h SER 32 N -0.67 0.24 -0.46 4.20 4.64 -0.94 0.45 113.55 121.01 1c9x h SER 32 Ca -0.07 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1c9x h SER 32 Cb 1.33 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1c9x h SER 32 CO 0.08 0.16 0.00 0.54 -0.87 0.00 0.00 176.83 176.74 1c9x n ARG 33 N -4.48 2.10 -3.27 4.77 5.12 -0.33 -4.91 116.66 115.66 1c9x n ARG 33 Ca 0.04 -1.71 -0.21 0.00 -1.93 0.00 0.00 57.85 54.04 1c9x n ARG 33 Cb 0.23 -1.38 0.06 0.00 -1.16 0.00 0.00 32.46 30.21 1c9x n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1c9x n ASN 34 N 0.89 -5.94 -0.83 0.55 3.02 0.15 -4.89 115.26 108.21 1c9x n ASN 34 Ca 0.16 -0.40 0.12 0.00 -0.03 0.00 0.00 54.58 54.43 1c9x n ASN 34 Cb 0.40 -4.65 0.29 0.00 -0.61 0.00 0.00 39.78 35.21 1c9x n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1c9x n LEU 35 N -4.25 2.51 -0.05 3.41 4.77 0.52 -3.83 117.00 120.08 1c9x n LEU 35 Ca -0.04 -0.99 0.05 0.00 -0.03 0.00 0.00 56.01 55.00 1c9x n LEU 35 Cb 0.58 -0.11 0.07 0.00 -2.33 0.00 0.00 43.42 41.63 1c9x n LEU 35 CO 0.53 0.49 0.53 0.35 -1.33 0.00 0.00 177.39 177.96 1c9x n THR 36 N 0.90 1.44 0.21 -5.08 -2.24 -1.19 -2.77 114.28 105.55 1c9x n THR 36 Ca 0.17 -1.64 -0.09 0.00 -2.27 0.00 0.00 64.05 60.22 1c9x n THR 36 Cb 0.48 0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.78 1c9x n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1c9x h LYS 37 N 0.00 -0.55 0.00 -0.78 3.64 -1.89 -3.34 116.57 113.65 1c9x h LYS 37 Ca 0.00 0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 1c9x h LYS 37 Cb 0.79 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 1c9x h LYS 37 CO 0.00 -0.37 -1.50 -0.25 -2.27 0.00 0.00 179.45 175.06 1c9x n ASP 38 N -3.70 0.67 -2.82 4.20 8.00 -1.26 -5.00 116.55 116.64 1c9x n ASP 38 Ca -0.07 0.28 -0.11 0.00 0.71 0.00 0.00 54.79 55.61 1c9x n ASP 38 Cb 0.23 0.53 0.01 0.00 -0.02 0.00 0.00 41.12 41.88 1c9x n ASP 38 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1c9x n ARG 39 N -2.75 0.99 -3.32 -1.24 1.85 -1.25 -5.07 116.66 105.87 1c9x n ARG 39 Ca -0.09 -2.37 -0.42 0.00 -1.00 0.00 0.00 57.85 53.97 1c9x n ARG 39 Cb 0.78 2.71 -0.09 0.00 -1.05 0.00 0.00 32.46 34.81 1c9x n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1c9x s LYS 41 N 2.17 4.18 0.17 0.00 2.20 -1.11 -4.90 119.74 122.44 1c9x s LYS 41 Ca 0.13 2.41 -0.11 0.00 -0.36 0.00 0.00 55.97 58.04 1c9x s LYS 41 Cb -0.17 -3.50 0.05 0.00 -1.51 0.00 0.00 37.83 32.70 1c9x s LYS 41 CO 0.13 -0.74 1.64 -1.00 -0.36 0.00 0.00 175.35 175.02 1c9x h PRO 42 N 8.07 0.96 -3.97 4.03 0.14 -1.94 -3.43 132.00 135.86 1c9x h PRO 42 Ca -0.43 -0.28 -0.24 0.00 0.14 0.00 0.00 66.00 65.18 1c9x h PRO 42 Cb 1.21 -0.10 -0.26 0.00 0.14 0.00 0.00 31.00 31.98 1c9x h PRO 42 CO 0.93 0.94 -0.72 0.08 0.14 0.00 0.00 178.00 179.37 1c9x s VAL 43 N -5.11 0.15 -0.27 1.56 1.01 -1.26 -1.44 120.40 115.04 1c9x s VAL 43 Ca -0.12 -0.31 -0.24 0.00 0.00 0.00 0.00 61.98 61.31 1c9x s VAL 43 Cb 0.13 -0.18 0.07 0.00 0.00 0.00 0.00 36.38 36.40 1c9x s VAL 43 CO 0.83 -0.10 0.71 0.21 0.00 0.00 0.00 175.10 176.76 1c9x s ASN 44 N -0.43 -0.77 -0.06 3.32 2.47 0.47 -5.00 114.94 114.94 1c9x s ASN 44 Ca -0.03 1.45 0.04 0.00 0.42 0.00 0.00 52.86 54.73 1c9x s ASN 44 Cb -0.03 1.46 -0.02 0.00 -1.45 0.00 0.00 41.25 41.20 1c9x s ASN 44 CO -0.00 -0.25 -0.16 -0.89 -3.72 0.00 0.00 177.10 172.08 1c9x s THR 45 N 0.51 2.86 -0.09 -5.21 2.01 -1.26 -0.38 115.64 114.08 1c9x s THR 45 Ca -0.01 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.19 1c9x s THR 45 Cb -0.05 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 1c9x s THR 45 CO -0.01 0.57 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.13 1c9x s PHE 46 N -0.44 3.14 -0.18 4.92 0.08 -0.02 -4.44 117.98 121.03 1c9x s PHE 46 Ca 0.05 0.18 -0.04 0.00 0.12 0.00 0.00 56.93 57.23 1c9x s PHE 46 Cb -0.12 -1.78 -0.03 0.00 -0.57 0.00 0.00 43.02 40.52 1c9x s PHE 46 CO 0.02 0.45 -0.02 0.08 -0.10 0.00 0.00 175.22 175.65 1c9x s VAL 47 N -0.86 3.90 -0.96 -0.44 1.01 0.55 -0.50 120.40 123.09 1c9x s VAL 47 Ca 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1c9x s VAL 47 Cb -0.11 -2.73 0.30 0.00 0.00 0.00 0.00 36.38 33.84 1c9x s VAL 47 CO 0.02 0.46 1.40 1.41 0.00 0.00 0.00 175.10 178.39 1c9x n HIS 48 N 3.90 2.69 -4.16 5.22 -0.00 0.52 -1.24 115.22 122.15 1c9x n HIS 48 Ca -0.17 -2.92 -0.11 0.00 -0.00 0.00 0.00 57.72 54.52 1c9x n HIS 48 Cb 0.52 -1.07 -0.10 0.00 -0.00 0.00 0.00 29.99 29.34 1c9x n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1c9x s GLU 49 N -3.12 1.05 0.71 -0.41 0.41 -1.26 -4.50 118.70 111.57 1c9x s GLU 49 Ca 0.35 -1.50 -0.13 0.00 -0.41 0.00 0.00 54.97 53.28 1c9x s GLU 49 Cb 0.11 0.26 0.03 0.00 -1.78 0.00 0.00 34.13 32.75 1c9x s GLU 49 CO 0.02 -0.32 1.11 -1.54 -0.49 0.00 0.00 175.26 174.05 1c9x s SER 50 N -3.09 4.73 0.18 -0.19 1.04 -1.26 -4.24 113.70 110.87 1c9x s SER 50 Ca 0.29 1.98 -0.13 0.00 0.48 0.00 0.00 55.95 58.58 1c9x s SER 50 Cb 0.07 -2.55 0.09 0.00 0.10 0.00 0.00 66.02 63.73 1c9x s SER 50 CO 0.06 -1.89 1.81 0.25 0.98 0.00 0.00 173.24 174.45 1c9x h LEU 51 N -0.46 0.73 -0.88 2.42 5.85 -1.98 -1.68 115.31 119.31 1c9x h LEU 51 Ca -0.46 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.25 1c9x h LEU 51 Cb 1.25 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 1c9x h LEU 51 CO 0.52 0.58 0.56 0.00 -0.34 0.00 0.00 178.44 179.76 1c9x h ALA 52 N 1.18 1.20 -0.08 1.25 0.00 -1.99 0.12 119.26 120.93 1c9x h ALA 52 Ca 0.22 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1c9x h ALA 52 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1c9x h ALA 52 CO -0.04 0.35 -0.37 -0.44 0.00 0.00 0.00 179.25 178.75 1c9x h ASP 53 N 1.04 0.17 -0.06 0.00 5.19 -1.73 -1.04 116.42 119.99 1c9x h ASP 53 Ca 0.37 -0.06 -0.24 0.00 -0.62 0.00 0.00 57.03 56.48 1c9x h ASP 53 Cb 0.11 -0.05 0.02 0.00 0.18 0.00 0.00 39.33 39.59 1c9x h ASP 53 CO -0.15 0.53 -0.89 0.58 -3.12 0.00 0.00 179.24 176.18 1c9x h VAL 54 N 0.14 1.29 -0.52 -1.35 2.07 -0.46 -3.17 116.25 114.26 1c9x h VAL 54 Ca 0.02 -2.12 -0.00 0.00 0.82 0.00 0.00 66.70 65.42 1c9x h VAL 54 Cb 0.72 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 1c9x h VAL 54 CO 0.05 0.66 0.31 1.56 0.02 0.00 0.00 177.57 180.17 1c9x h GLN 55 N 0.39 0.69 0.00 1.57 4.20 -0.57 -1.43 115.11 119.97 1c9x h GLN 55 Ca -0.10 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1c9x h GLN 55 Cb 1.54 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.17 1c9x h GLN 55 CO 0.18 0.48 0.00 0.00 -0.67 0.00 0.00 178.83 178.82 1c9x h ALA 56 N 1.64 1.00 0.00 3.87 0.00 -1.16 -1.90 119.26 122.70 1c9x h ALA 56 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1c9x h ALA 56 Cb -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1c9x h ALA 56 CO -0.04 0.00 -0.05 0.28 0.00 0.00 0.00 179.25 179.45 1c9x h VAL 57 N 0.00 0.71 0.00 0.00 2.07 -1.30 -1.61 116.25 116.11 1c9x h VAL 57 Ca 0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1c9x h VAL 57 Cb 0.11 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1c9x h VAL 57 CO 0.00 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.64 1c9x n SER 59 N -1.29 2.67 -0.09 0.00 7.64 -0.61 -5.01 113.62 116.93 1c9x n SER 59 Ca 0.04 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 57.86 1c9x n SER 59 Cb 0.06 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 1c9x n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c9x n GLN 60 N 0.13 3.29 -2.32 1.43 6.02 -0.28 -5.00 117.38 120.65 1c9x n GLN 60 Ca 0.08 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.65 1c9x n GLN 60 Cb 0.39 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.63 1c9x n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1c9x s LYS 61 N 3.91 4.01 -0.15 -1.09 2.47 -1.13 -4.87 119.74 122.90 1c9x s LYS 61 Ca 0.00 1.56 -0.29 0.00 -1.56 0.00 0.00 55.97 55.67 1c9x s LYS 61 Cb 0.00 -3.89 -0.01 0.00 -1.46 0.00 0.00 37.83 32.48 1c9x s LYS 61 CO 0.00 -1.00 1.06 1.21 0.16 0.00 0.00 175.35 176.78 1c9x s ASN 62 N 2.91 7.15 0.27 1.43 3.04 -1.26 -0.79 114.94 127.68 1c9x s ASN 62 Ca 0.61 1.53 0.02 0.00 0.04 0.00 0.00 52.86 55.06 1c9x s ASN 62 Cb -0.22 -2.55 -0.05 0.00 -1.54 0.00 0.00 41.25 36.89 1c9x s ASN 62 CO 0.22 -0.57 0.06 0.68 -3.04 0.00 0.00 177.10 174.46 1c9x s VAL 63 N 2.56 0.84 0.38 -5.21 -7.23 -0.18 -4.95 120.40 106.61 1c9x s VAL 63 Ca 0.48 -2.01 -0.24 0.00 -1.81 0.00 0.00 61.98 58.41 1c9x s VAL 63 Cb -0.18 -2.60 -0.10 0.00 0.56 0.00 0.00 36.38 34.06 1c9x s VAL 63 CO 0.14 -0.09 0.97 0.00 -0.31 0.00 0.00 175.10 175.82 1c9x s ALA 64 N -3.55 3.12 0.48 1.32 0.00 -1.26 -2.93 121.76 118.94 1c9x s ALA 64 Ca 0.35 0.53 -0.12 0.00 0.00 0.00 0.00 51.96 52.72 1c9x s ALA 64 Cb 0.08 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 1c9x s ALA 64 CO 0.13 0.06 0.89 0.00 0.00 0.00 0.00 175.76 176.84 1c9x h LYS 66 N 0.80 0.06 -0.00 0.00 1.57 -1.93 0.22 116.57 117.28 1c9x h LYS 66 Ca -0.47 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1c9x h LYS 66 Cb 1.19 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1c9x h LYS 66 CO 0.62 0.04 0.00 0.27 -0.57 0.00 0.00 179.45 179.81 1c9x n ASN 67 N -4.34 0.07 0.00 0.86 0.23 -1.26 -4.89 115.26 105.93 1c9x n ASN 67 Ca 0.15 -1.14 0.00 0.00 -0.53 0.00 0.00 54.58 53.06 1c9x n ASN 67 Cb 0.78 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.48 1c9x n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1c9x n GLY 68 N 0.95 2.26 3.74 4.83 0.00 0.77 -5.02 105.19 112.72 1c9x n GLY 68 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1c9x n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1c9x s GLN 69 N -0.68 2.56 -0.20 1.61 -1.52 -1.26 -4.69 119.66 115.49 1c9x s GLN 69 Ca 0.00 1.69 0.16 0.00 -1.95 0.00 0.00 55.36 55.25 1c9x s GLN 69 Cb 0.00 -1.89 0.61 0.00 -0.22 0.00 0.00 33.01 31.51 1c9x s GLN 69 CO 0.00 -1.50 1.52 0.25 -0.25 0.00 0.00 175.29 175.31 1c9x n THR 70 N -2.30 2.43 -1.36 -0.19 -2.24 -1.26 0.31 114.28 109.68 1c9x n THR 70 Ca 0.13 -1.77 -0.23 0.00 -2.27 0.00 0.00 64.05 59.91 1c9x n THR 70 Cb 0.50 -0.27 0.15 0.00 -2.10 0.00 0.00 70.33 68.62 1c9x n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1c9x n ASN 71 N -0.21 4.64 -4.90 3.42 6.94 -1.26 -4.75 115.26 119.13 1c9x n ASN 71 Ca 0.23 -3.71 -0.29 0.00 -0.02 0.00 0.00 54.58 50.80 1c9x n ASN 71 Cb 0.98 -0.80 -0.04 0.00 -2.36 0.00 0.00 39.78 37.56 1c9x n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1c9x s TYR 73 N -1.60 0.08 -0.17 0.00 1.51 0.84 -1.02 117.35 117.00 1c9x s TYR 73 Ca 0.34 0.04 -0.06 0.00 -1.01 0.00 0.00 57.07 56.38 1c9x s TYR 73 Cb -0.12 -0.14 -0.03 0.00 -0.11 0.00 0.00 41.96 41.55 1c9x s TYR 73 CO 0.27 -0.04 0.01 -1.14 -1.11 0.00 0.00 175.55 173.54 1c9x s GLN 74 N 0.45 3.82 0.37 -0.62 0.74 0.03 -0.86 119.66 123.60 1c9x s GLN 74 Ca -0.04 -0.43 -0.28 0.00 0.05 0.00 0.00 55.36 54.67 1c9x s GLN 74 Cb -0.06 -3.06 -0.10 0.00 1.10 0.00 0.00 33.01 30.89 1c9x s GLN 74 CO -0.01 0.27 1.39 -1.54 -0.55 0.00 0.00 175.29 174.84 1c9x s SER 75 N 0.33 6.43 0.22 6.67 1.04 0.08 -2.83 113.70 125.65 1c9x s SER 75 Ca -0.00 2.84 -0.06 0.00 0.48 0.00 0.00 55.95 59.21 1c9x s SER 75 Cb -0.13 -2.66 0.20 0.00 0.10 0.00 0.00 66.02 63.53 1c9x s SER 75 CO 0.01 -0.79 1.70 1.88 0.98 0.00 0.00 173.24 177.03 1c9x h TYR 76 N 3.00 1.02 -1.25 5.02 0.05 -1.95 -3.43 116.97 119.43 1c9x h TYR 76 Ca -0.50 -0.16 -0.54 0.00 0.05 0.00 0.00 58.73 57.58 1c9x h TYR 76 Cb 1.24 -0.28 -0.05 0.00 1.01 0.00 0.00 36.73 38.65 1c9x h TYR 76 CO 0.54 0.91 -0.39 -1.54 -1.05 0.00 0.00 178.16 176.62 1c9x s SER 77 N -6.59 4.72 0.51 3.88 1.04 -1.26 -5.07 113.70 110.93 1c9x s SER 77 Ca -0.11 -1.01 -0.10 0.00 0.48 0.00 0.00 55.95 55.22 1c9x s SER 77 Cb 0.14 -0.24 -0.05 0.00 0.10 0.00 0.00 66.02 65.97 1c9x s SER 77 CO 0.84 -0.75 0.88 0.42 0.98 0.00 0.00 173.24 175.61 1c9x s THR 78 N -2.60 4.77 0.13 2.02 -4.23 -1.26 -4.46 115.64 110.00 1c9x s THR 78 Ca 0.41 0.65 0.05 0.00 -1.18 0.00 0.00 61.69 61.62 1c9x s THR 78 Cb -0.01 -3.81 -0.04 0.00 1.34 0.00 0.00 72.50 69.98 1c9x s THR 78 CO 0.24 -0.84 -0.11 -0.04 -0.54 0.00 0.00 174.62 173.33 1c9x s MET 79 N -4.57 1.01 -0.14 3.99 -1.94 0.18 -4.83 119.30 113.01 1c9x s MET 79 Ca 0.52 -1.36 -0.29 0.00 -1.71 0.00 0.00 55.69 52.86 1c9x s MET 79 Cb -0.10 -0.66 -0.01 0.00 2.01 0.00 0.00 34.83 36.06 1c9x s MET 79 CO 0.42 0.10 0.98 0.45 -0.01 0.00 0.00 175.02 176.96 1c9x s SER 80 N -2.89 7.17 0.13 3.03 0.15 -1.26 -1.41 113.70 118.61 1c9x s SER 80 Ca 0.13 1.44 0.02 0.00 0.70 0.00 0.00 55.95 58.24 1c9x s SER 80 Cb 0.00 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1c9x s SER 80 CO 0.01 -0.48 -0.04 0.27 1.20 0.00 0.00 173.24 174.20 1c9x s ILE 81 N 2.26 0.69 -0.09 6.45 -5.25 0.75 -0.35 121.20 125.66 1c9x s ILE 81 Ca 0.46 -1.96 -0.00 0.00 -0.99 0.00 0.00 60.65 58.16 1c9x s ILE 81 Cb -0.17 -1.89 0.02 0.00 2.95 0.00 0.00 42.46 43.37 1c9x s ILE 81 CO 0.15 -0.69 -0.06 -0.89 -1.79 0.00 0.00 174.94 171.66 1c9x s THR 82 N -3.64 0.82 -0.08 8.37 2.01 0.35 -1.13 115.64 122.34 1c9x s THR 82 Ca 0.18 -0.20 -0.18 0.00 0.31 0.00 0.00 61.69 61.80 1c9x s THR 82 Cb 0.06 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.67 1c9x s THR 82 CO -0.01 0.32 0.49 -0.62 -0.69 0.00 0.00 174.62 174.12 1c9x s ASP 83 N 1.49 6.76 -0.16 3.53 -1.08 0.64 -0.84 116.67 127.00 1c9x s ASP 83 Ca -0.00 0.90 0.01 0.00 -0.52 0.00 0.00 52.55 52.93 1c9x s ASP 83 Cb -0.13 -2.30 0.01 0.00 -1.46 0.00 0.00 42.92 39.04 1c9x s ASP 83 CO -0.04 0.06 -0.17 0.00 0.52 0.00 0.00 175.17 175.53 1c9x s ARG 85 N 1.01 0.03 0.42 0.00 0.52 -1.06 -0.39 118.95 119.47 1c9x s ARG 85 Ca -0.02 0.01 -0.26 0.00 -0.52 0.00 0.00 55.73 54.94 1c9x s ARG 85 Cb -0.15 -0.07 -0.09 0.00 0.52 0.00 0.00 34.95 35.17 1c9x s ARG 85 CO -0.04 -0.01 1.35 -1.21 0.02 0.00 0.00 175.30 175.40 1c9x s GLU 86 N 0.14 3.89 0.65 3.54 2.02 -0.52 -0.16 118.70 128.26 1c9x s GLU 86 Ca -0.01 2.25 -0.05 0.00 0.02 0.00 0.00 54.97 57.18 1c9x s GLU 86 Cb -0.02 -2.74 0.05 0.00 0.10 0.00 0.00 34.13 31.52 1c9x s GLU 86 CO -0.00 -0.59 0.95 0.95 0.02 0.00 0.00 175.26 176.58 1c9x s THR 87 N -1.24 2.61 0.40 3.63 -4.23 -0.96 -4.79 115.64 111.05 1c9x s THR 87 Ca 0.58 -0.29 0.10 0.00 -1.18 0.00 0.00 61.69 60.90 1c9x s THR 87 Cb -0.40 -3.09 0.32 0.00 1.34 0.00 0.00 72.50 70.67 1c9x s THR 87 CO 0.52 -0.09 1.95 1.23 -0.54 0.00 0.00 174.62 177.70 1c9x h GLY 88 N -0.40 0.80 -3.28 3.99 0.00 -1.94 -2.65 103.07 99.59 1c9x h GLY 88 Ca -0.44 -0.23 -0.32 0.00 0.00 0.00 0.00 47.33 46.34 1c9x h GLY 88 CO 0.59 0.14 0.41 1.44 0.00 0.00 0.00 176.54 179.12 1c9x n SER 89 N -4.49 4.80 -4.56 0.19 7.64 -1.26 -4.92 113.62 111.02 1c9x n SER 89 Ca 0.11 -2.99 -0.36 0.00 1.01 0.00 0.00 58.87 56.65 1c9x n SER 89 Cb 0.34 -0.84 -0.11 0.00 -1.01 0.00 0.00 64.21 62.59 1c9x n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1c9x s SER 90 N -0.16 5.48 -0.07 6.43 0.15 -1.00 -4.82 113.70 119.71 1c9x s SER 90 Ca 0.33 -0.03 -0.03 0.00 0.70 0.00 0.00 55.95 56.91 1c9x s SER 90 Cb 0.26 -1.96 0.04 0.00 -1.71 0.00 0.00 66.02 62.66 1c9x s SER 90 CO 0.03 0.08 0.13 -0.54 1.20 0.00 0.00 173.24 174.14 1c9x s LYS 91 N 0.94 0.00 0.35 5.44 1.02 -1.01 -4.93 119.74 121.55 1c9x s LYS 91 Ca 0.04 0.50 -0.28 0.00 0.02 0.00 0.00 55.97 56.25 1c9x s LYS 91 Cb -0.14 -0.33 -0.12 0.00 -0.52 0.00 0.00 37.83 36.72 1c9x s LYS 91 CO 0.03 -0.31 1.35 0.98 -0.92 0.00 0.00 175.35 176.48 1c9x n TYR 92 N 5.25 2.47 -0.07 3.18 9.36 -1.26 0.45 117.16 136.55 1c9x n TYR 92 Ca -0.05 0.52 0.05 0.00 3.32 0.00 0.00 57.90 61.73 1c9x n TYR 92 Cb 0.50 -2.45 0.24 0.00 -0.63 0.00 0.00 39.34 37.00 1c9x n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1c9x n PRO 93 N 0.58 3.23 -2.97 2.98 -0.04 -1.26 -4.94 135.00 132.57 1c9x n PRO 93 Ca 0.04 -1.89 -0.43 0.00 -0.04 0.00 0.00 63.50 61.18 1c9x n PRO 93 Cb 0.37 -1.90 0.01 0.00 -0.04 0.00 0.00 33.50 31.94 1c9x n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1c9x n ASN 94 N 0.43 6.39 -4.76 3.54 4.13 1.60 -5.00 115.26 121.59 1c9x n ASN 94 Ca 0.17 -3.41 -0.41 0.00 1.68 0.00 0.00 54.58 52.61 1c9x n ASN 94 Cb 0.78 -1.28 -0.02 0.00 -1.54 0.00 0.00 39.78 37.72 1c9x n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1c9x s ALA 96 N -0.79 0.40 0.07 0.00 0.00 -1.26 -4.95 121.76 115.23 1c9x s ALA 96 Ca 0.51 0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.54 1c9x s ALA 96 Cb -0.39 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1c9x s ALA 96 CO 0.48 -0.00 -0.16 0.71 0.00 0.00 0.00 175.76 176.79 1c9x s TYR 97 N 0.62 1.40 -0.04 0.00 1.51 -1.26 -2.27 117.35 117.30 1c9x s TYR 97 Ca -0.07 -0.42 -0.17 0.00 -1.01 0.00 0.00 57.07 55.40 1c9x s TYR 97 Cb -0.10 -0.79 -0.05 0.00 -0.11 0.00 0.00 41.96 40.91 1c9x s TYR 97 CO -0.01 0.09 0.46 0.21 -1.11 0.00 0.00 175.55 175.20 1c9x s LYS 98 N -1.61 4.15 -0.22 -0.62 2.20 0.77 -4.62 119.74 119.80 1c9x s LYS 98 Ca 0.01 0.48 -0.08 0.00 -0.36 0.00 0.00 55.97 56.03 1c9x s LYS 98 Cb -0.09 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 1c9x s LYS 98 CO 0.02 0.45 0.08 0.99 -0.36 0.00 0.00 175.35 176.53 1c9x s THR 99 N -0.33 4.58 -0.19 3.43 2.01 -1.26 -2.56 115.64 121.32 1c9x s THR 99 Ca 0.25 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.16 1c9x s THR 99 Cb -0.16 -3.11 0.05 0.00 0.01 0.00 0.00 72.50 69.28 1c9x s THR 99 CO 0.13 0.38 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.52 1c9x s THR 100 N 1.10 1.10 0.09 -0.82 2.01 -0.56 -4.98 115.64 113.58 1c9x s THR 100 Ca 0.04 -0.76 -0.21 0.00 0.31 0.00 0.00 61.69 61.07 1c9x s THR 100 Cb -0.14 -1.36 -0.07 0.00 0.01 0.00 0.00 72.50 70.94 1c9x s THR 100 CO 0.03 0.00 0.64 -1.58 -0.69 0.00 0.00 174.62 173.02 1c9x s GLN 101 N 1.62 4.33 0.28 4.92 2.00 -1.26 -0.26 119.66 131.28 1c9x s GLN 101 Ca -0.01 0.86 -0.20 0.00 -2.00 0.00 0.00 55.36 54.01 1c9x s GLN 101 Cb -0.17 -3.26 0.02 0.00 0.80 0.00 0.00 33.01 30.40 1c9x s GLN 101 CO -0.07 0.57 0.70 0.00 -0.50 0.00 0.00 175.29 175.99 1c9x s ALA 102 N -0.96 -1.13 -0.28 1.58 0.00 -0.28 -4.99 121.76 115.69 1c9x s ALA 102 Ca 0.31 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1c9x s ALA 102 Cb -0.20 0.87 0.07 0.00 0.00 0.00 0.00 23.12 23.85 1c9x s ALA 102 CO 0.21 -1.02 -0.06 -0.80 0.00 0.00 0.00 175.76 174.09 1c9x s ASN 103 N -2.93 4.58 0.23 0.00 0.01 -1.26 -0.18 114.94 115.39 1c9x s ASN 103 Ca 0.12 -1.55 -0.07 0.00 -0.71 0.00 0.00 52.86 50.65 1c9x s ASN 103 Cb -0.05 -1.59 -0.02 0.00 0.41 0.00 0.00 41.25 39.99 1c9x s ASN 103 CO 0.07 -0.24 0.32 -0.54 -1.51 0.00 0.00 177.10 175.19 1c9x s LYS 104 N 1.08 1.39 0.37 -0.60 3.01 -0.50 -4.79 119.74 119.69 1c9x s LYS 104 Ca -0.04 -1.43 -0.22 0.00 -1.01 0.00 0.00 55.97 53.27 1c9x s LYS 104 Cb -0.20 0.38 -0.10 0.00 -1.01 0.00 0.00 37.83 36.90 1c9x s LYS 104 CO -0.05 -0.53 0.92 -1.01 0.51 0.00 0.00 175.35 175.19 1c9x s HIS 105 N -4.08 3.48 0.13 3.18 3.76 0.78 0.52 115.29 123.06 1c9x s HIS 105 Ca 0.30 1.64 0.06 0.00 -0.15 0.00 0.00 55.06 56.91 1c9x s HIS 105 Cb 0.03 -2.84 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 1c9x s HIS 105 CO 0.10 0.05 0.02 0.96 -0.85 0.00 0.00 174.74 175.03 1c9x s ILE 106 N -1.92 3.99 -0.15 0.60 -4.36 -1.26 -0.60 121.20 117.50 1c9x s ILE 106 Ca 0.56 -1.16 0.01 0.00 -0.26 0.00 0.00 60.65 59.80 1c9x s ILE 106 Cb -0.13 -2.96 0.02 0.00 1.25 0.00 0.00 42.46 40.63 1c9x s ILE 106 CO 0.18 -0.00 -0.18 -0.63 0.24 0.00 0.00 174.94 174.55 1c9x s ILE 107 N -1.54 1.81 0.15 8.37 1.01 0.62 -0.75 121.20 130.88 1c9x s ILE 107 Ca 0.27 -0.81 0.06 0.00 0.00 0.00 0.00 60.65 60.18 1c9x s ILE 107 Cb -0.11 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 1c9x s ILE 107 CO 0.19 0.50 -0.14 0.68 0.00 0.00 0.00 174.94 176.17 1c9x s VAL 108 N 1.16 1.43 -0.13 2.92 -7.23 -0.04 -0.93 120.40 117.59 1c9x s VAL 108 Ca -0.00 -1.88 -0.13 0.00 -1.81 0.00 0.00 61.98 58.16 1c9x s VAL 108 Cb -0.14 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 1c9x s VAL 108 CO -0.07 -0.49 0.29 0.00 -0.31 0.00 0.00 175.10 174.52 1c9x s ALA 109 N -2.46 3.65 0.12 1.32 0.00 -0.53 -0.11 121.76 123.75 1c9x s ALA 109 Ca 0.13 -0.44 0.10 0.00 0.00 0.00 0.00 51.96 51.75 1c9x s ALA 109 Cb -0.03 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 1c9x s ALA 109 CO 0.04 0.24 -0.22 0.00 0.00 0.00 0.00 175.76 175.82 1c9x s GLU 111 N -2.09 1.12 0.47 0.00 2.02 -0.22 -4.89 118.70 115.12 1c9x s GLU 111 Ca 0.16 -0.41 0.00 0.00 0.02 0.00 0.00 54.97 54.74 1c9x s GLU 111 Cb -0.10 0.52 0.00 0.00 0.10 0.00 0.00 34.13 34.64 1c9x s GLU 111 CO 0.08 -0.49 0.00 0.41 0.02 0.00 0.00 175.26 175.28 1c9x n GLY 112 N -0.33 -1.84 2.66 -1.39 0.00 -1.26 -2.10 105.19 100.91 1c9x n GLY 112 Ca -0.14 -1.78 -0.23 0.00 0.00 0.00 0.00 46.02 43.86 1c9x n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1c9x s ASN 113 N -4.00 2.16 0.74 1.61 3.84 -1.26 -2.06 114.94 115.97 1c9x s ASN 113 Ca 0.00 -0.60 -0.13 0.00 0.21 0.00 0.00 52.86 52.34 1c9x s ASN 113 Cb 0.00 0.00 0.04 0.00 -0.55 0.00 0.00 41.25 40.74 1c9x s ASN 113 CO 0.00 -0.36 1.13 -2.16 -2.79 0.00 0.00 177.10 172.92 1c9x s PRO 114 N 2.21 2.29 -0.53 0.43 0.04 -1.26 -5.07 135.00 133.10 1c9x s PRO 114 Ca 0.05 1.44 -0.26 0.00 0.04 0.00 0.00 61.00 62.28 1c9x s PRO 114 Cb -0.16 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.54 1c9x s PRO 114 CO -0.16 -1.66 1.00 -0.47 0.04 0.00 0.00 177.00 175.75 1c9x s TYR 115 N -2.44 2.79 0.26 0.56 5.04 -0.87 -4.86 117.35 117.83 1c9x s TYR 115 Ca 0.67 0.21 0.03 0.00 -2.44 0.00 0.00 57.07 55.54 1c9x s TYR 115 Cb -0.22 -4.15 -0.05 0.00 0.35 0.00 0.00 41.96 37.88 1c9x s TYR 115 CO 0.48 -1.33 0.02 0.14 -1.34 0.00 0.00 175.55 173.52 1c9x s VAL 116 N 4.13 1.04 0.23 3.14 -7.23 -0.89 -4.83 120.40 115.98 1c9x s VAL 116 Ca 0.35 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.20 1c9x s VAL 116 Cb -0.11 -2.50 -0.10 0.00 0.56 0.00 0.00 36.38 34.24 1c9x s VAL 116 CO 0.23 -0.20 1.42 -2.84 -0.31 0.00 0.00 175.10 173.39 1c9x s PRO 117 N -3.89 4.29 0.00 4.82 0.02 -1.26 -1.06 135.00 137.93 1c9x s PRO 117 Ca 0.32 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.58 1c9x s PRO 117 Cb 0.07 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.45 1c9x s PRO 117 CO 0.11 -0.40 0.00 1.33 -0.33 0.00 0.00 177.00 177.71 1c9x n VAL 118 N 2.58 0.00 -3.55 3.83 0.24 0.12 -4.51 118.33 117.04 1c9x n VAL 118 Ca 0.07 -0.32 -0.15 0.00 -2.04 0.00 0.00 64.34 61.91 1c9x n VAL 118 Cb 0.41 0.87 -0.05 0.00 -1.47 0.00 0.00 33.84 33.60 1c9x n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1c9x s ALA 119 N -0.98 -1.46 -0.34 2.33 0.00 -1.13 -4.70 121.76 115.47 1c9x s ALA 119 Ca 0.00 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 52.63 1c9x s ALA 119 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.44 1c9x s ALA 119 CO 0.00 -0.49 0.20 0.12 0.00 0.00 0.00 175.76 175.59 1c9x s PHE 120 N -2.19 3.21 -0.16 0.00 5.36 -1.26 -1.45 117.98 121.49 1c9x s PHE 120 Ca -0.07 -0.62 -0.24 0.00 -0.96 0.00 0.00 56.93 55.04 1c9x s PHE 120 Cb -0.01 -2.42 -0.24 0.00 -0.34 0.00 0.00 43.02 40.01 1c9x s PHE 120 CO 0.01 -0.51 0.55 0.22 -1.46 0.00 0.00 175.22 174.03 1c9x h ASP 121 N 8.43 0.06 -5.81 6.13 3.58 -1.38 -3.48 116.42 123.95 1c9x h ASP 121 Ca -0.30 -0.80 0.34 0.00 0.42 0.00 0.00 57.03 56.69 1c9x h ASP 121 Cb 1.13 -0.02 -0.08 0.00 1.72 0.00 0.00 39.33 42.09 1c9x h ASP 121 CO 0.64 1.27 0.88 0.00 -2.88 0.00 0.00 179.24 179.15 1c9x s ALA 122 N -2.31 -2.40 0.13 -0.78 0.00 -1.16 -4.96 121.76 110.28 1c9x s ALA 122 Ca -0.22 0.15 0.06 0.00 0.00 0.00 0.00 51.96 51.94 1c9x s ALA 122 Cb 0.01 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 1c9x s ALA 122 CO 0.67 -1.13 -0.13 -1.54 0.00 0.00 0.00 175.76 173.63 1c9x s SER 123 N -3.64 1.95 0.00 0.00 1.04 -1.26 -0.27 113.70 111.52 1c9x s SER 123 Ca 0.26 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1c9x s SER 123 Cb 0.00 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1c9x s SER 123 CO -0.01 -0.20 0.02 1.33 0.98 0.00 0.00 173.24 175.36