#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9x n SER 2 N 0.00 2.65 -4.79 3.17 7.64 -1.26 -4.97 113.62 116.06 1y9x n SER 2 Ca 0.00 -0.04 -0.36 0.00 1.01 0.00 0.00 58.87 59.48 1y9x n SER 2 Cb 0.00 0.21 -0.07 0.00 -1.01 0.00 0.00 64.21 63.33 1y9x n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1y9x s SER 3 N -4.92 6.08 -1.06 6.43 0.01 -1.26 -4.99 113.70 113.99 1y9x s SER 3 Ca -0.13 0.32 -0.07 0.00 1.31 0.00 0.00 55.95 57.38 1y9x s SER 3 Cb 0.04 -1.97 -0.02 0.00 0.21 0.00 0.00 66.02 64.28 1y9x s SER 3 CO 0.38 0.33 2.84 0.61 0.41 0.00 0.00 173.24 177.81 1y9x n GLY 4 N 2.51 4.40 2.28 3.44 0.00 -1.26 -4.75 105.19 111.80 1y9x n GLY 4 Ca -0.19 -1.71 -0.03 0.00 0.00 0.00 0.00 46.02 44.10 1y9x n GLY 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1y9x n THR 5 N 2.31 -9.59 -2.43 2.61 -1.04 -1.26 -4.98 114.28 99.90 1y9x n THR 5 Ca 0.62 1.73 -0.41 0.00 -2.04 0.00 0.00 64.05 63.96 1y9x n THR 5 Cb 0.40 -5.75 -0.04 0.00 -1.82 0.00 0.00 70.33 63.13 1y9x n THR 5 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1y9x s PRO 6 N -0.88 4.56 -0.15 -2.82 0.02 -1.26 -5.05 135.00 129.42 1y9x s PRO 6 Ca -0.14 1.83 -0.09 0.00 0.02 0.00 0.00 61.00 62.62 1y9x s PRO 6 Cb 0.01 -3.22 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 1y9x s PRO 6 CO 0.55 0.05 0.15 -0.08 -0.33 0.00 0.00 177.00 177.35 1y9x s THR 7 N -0.54 5.45 -0.31 0.99 -1.32 -1.26 -5.06 115.64 113.58 1y9x s THR 7 Ca 0.49 0.24 -0.29 0.00 -1.21 0.00 0.00 61.69 60.93 1y9x s THR 7 Cb -0.32 -3.45 0.02 0.00 -1.51 0.00 0.00 72.50 67.24 1y9x s THR 7 CO 0.38 0.54 1.05 -2.84 -2.21 0.00 0.00 174.62 171.55 1y9x s PRO 8 N -0.46 4.07 0.00 7.08 0.02 -1.26 -4.87 135.00 139.58 1y9x s PRO 8 Ca 0.13 1.05 0.14 0.00 0.02 0.00 0.00 61.00 62.34 1y9x s PRO 8 Cb -0.12 -3.73 0.33 0.00 0.02 0.00 0.00 34.50 31.00 1y9x s PRO 8 CO 0.02 -0.87 1.24 0.43 -0.33 0.00 0.00 177.00 177.49 1y9x n SER 9 N 6.79 2.97 -1.05 2.53 7.64 -1.26 -4.44 113.62 126.80 1y9x n SER 9 Ca 0.11 -1.91 0.07 0.00 1.01 0.00 0.00 58.87 58.15 1y9x n SER 9 Cb 0.47 -0.23 0.23 0.00 -1.01 0.00 0.00 64.21 63.67 1y9x n SER 9 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1y9x n ASN 10 N 0.79 3.04 -4.23 6.43 6.94 -1.26 -4.81 115.26 122.16 1y9x n ASN 10 Ca 0.13 -2.19 -0.31 0.00 -0.02 0.00 0.00 54.58 52.20 1y9x n ASN 10 Cb 0.45 -0.41 -0.17 0.00 -2.36 0.00 0.00 39.78 37.29 1y9x n ASN 10 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1y9x s VAL 11 N -1.60 1.94 0.05 3.53 -7.23 -1.26 -0.94 120.40 114.88 1y9x s VAL 11 Ca 0.33 -0.99 0.07 0.00 -1.81 0.00 0.00 61.98 59.59 1y9x s VAL 11 Cb 0.20 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 1y9x s VAL 11 CO 0.18 0.54 -0.20 0.68 -0.31 0.00 0.00 175.10 175.99 1y9x s VAL 12 N 0.01 1.65 -0.21 1.32 -7.23 -1.08 -5.01 120.40 109.84 1y9x s VAL 12 Ca -0.08 -1.22 -0.06 0.00 -1.81 0.00 0.00 61.98 58.82 1y9x s VAL 12 Cb -0.14 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 1y9x s VAL 12 CO 0.05 0.18 0.03 -0.22 -0.31 0.00 0.00 175.10 174.82 1y9x s LEU 13 N -1.23 3.39 -0.31 1.32 2.96 -1.26 -0.94 118.68 122.62 1y9x s LEU 13 Ca 0.07 -0.16 -0.21 0.00 -0.22 0.00 0.00 54.13 53.61 1y9x s LEU 13 Cb -0.09 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 1y9x s LEU 13 CO 0.02 0.06 0.67 -0.63 -1.32 0.00 0.00 176.35 175.15 1y9x s ILE 14 N 1.06 4.90 0.00 6.68 -1.09 -1.06 -4.69 121.20 126.99 1y9x s ILE 14 Ca 0.03 0.93 0.00 0.00 -2.23 0.00 0.00 60.65 59.38 1y9x s ILE 14 Cb -0.14 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.70 1y9x s ILE 14 CO 0.02 -0.18 0.00 0.61 -1.23 0.00 0.00 174.94 174.17 1y9x n GLY 15 N 4.37 0.00 0.22 6.18 0.00 -1.26 -4.44 105.19 110.26 1y9x n GLY 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1y9x n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1y9x n LYS 16 N 0.00 0.00 -4.00 1.61 4.81 -1.26 -5.13 118.16 114.19 1y9x n LYS 16 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 1y9x n LYS 16 Cb 0.00 -0.11 -0.03 0.00 0.02 0.00 0.00 35.03 34.91 1y9x n LYS 16 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1y9x s LYS 17 N -1.11 3.31 0.78 1.64 -0.14 -1.26 -5.10 119.74 117.86 1y9x s LYS 17 Ca 0.00 -0.77 -0.13 0.00 -1.36 0.00 0.00 55.97 53.71 1y9x s LYS 17 Cb 0.00 -2.84 0.07 0.00 -1.68 0.00 0.00 37.83 33.38 1y9x s LYS 17 CO 0.00 0.46 1.15 -1.25 -0.76 0.00 0.00 175.35 174.95 1y9x s PRO 18 N -3.66 1.92 0.57 -1.68 0.04 -1.26 -4.91 135.00 126.02 1y9x s PRO 18 Ca 0.34 1.53 0.27 0.00 0.04 0.00 0.00 61.00 63.17 1y9x s PRO 18 Cb -0.10 -1.83 1.57 0.00 0.04 0.00 0.00 34.50 34.18 1y9x s PRO 18 CO 0.28 -1.95 2.09 -0.24 0.04 0.00 0.00 177.00 177.22 1y9x h VAL 19 N -0.88 0.58 0.00 -0.36 3.04 -1.99 -1.40 116.25 115.25 1y9x h VAL 19 Ca -0.45 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.21 1y9x h VAL 19 Cb 1.27 0.85 -0.00 0.00 -2.01 0.00 0.00 31.29 31.39 1y9x h VAL 19 CO 0.48 0.00 -0.12 0.00 -1.01 0.00 0.00 177.57 176.92 1y9x h MET 20 N 0.00 0.00 0.14 4.17 -0.00 -2.00 -1.48 114.93 115.76 1y9x h MET 20 Ca 0.10 0.00 -0.29 0.00 -0.00 0.00 0.00 59.70 59.51 1y9x h MET 20 Cb 0.50 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.11 1y9x h MET 20 CO -0.00 0.12 -1.33 -0.97 -0.00 0.00 0.00 176.91 174.74 1y9x h ASN 21 N 0.00 0.47 0.11 -0.10 -0.00 -1.61 -2.87 115.58 111.59 1y9x h ASN 21 Ca -0.00 -0.53 -0.14 0.00 -0.00 0.00 0.00 56.30 55.63 1y9x h ASN 21 Cb 0.24 -0.15 -0.01 0.00 -0.00 0.00 0.00 38.32 38.40 1y9x h ASN 21 CO 0.02 1.42 -0.48 1.88 -0.00 0.00 0.00 177.43 180.26 1y9x h TYR 22 N 0.08 0.52 -0.13 0.67 0.05 -1.42 -0.17 116.97 116.58 1y9x h TYR 22 Ca -0.17 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.44 1y9x h TYR 22 Cb 2.01 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 39.63 1y9x h TYR 22 CO 0.07 0.83 0.08 0.28 -1.05 0.00 0.00 178.16 178.37 1y9x h VAL 23 N 0.34 1.05 -0.10 -2.88 2.07 -1.34 -0.78 116.25 114.62 1y9x h VAL 23 Ca 0.02 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 1y9x h VAL 23 Cb 0.98 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1y9x h VAL 23 CO 0.09 0.05 -0.27 -0.07 0.02 0.00 0.00 177.57 177.39 1y9x h LEU 24 N 0.15 0.17 0.05 2.57 3.38 -1.28 0.45 115.31 120.80 1y9x h LEU 24 Ca 0.05 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1y9x h LEU 24 Cb 0.01 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1y9x h LEU 24 CO -0.01 0.44 -0.02 0.00 0.09 0.00 0.00 178.44 178.94 1y9x h ALA 25 N 1.58 -0.07 -0.71 1.53 0.00 -0.67 -1.39 119.26 119.53 1y9x h ALA 25 Ca 0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1y9x h ALA 25 Cb 0.56 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1y9x h ALA 25 CO 0.04 -0.36 0.26 0.00 0.00 0.00 0.00 179.25 179.18 1y9x h ALA 26 N 0.51 1.12 -0.63 0.00 0.00 -0.97 -1.16 119.26 118.12 1y9x h ALA 26 Ca -0.01 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.79 1y9x h ALA 26 Cb 0.37 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1y9x h ALA 26 CO 0.01 0.62 0.28 1.25 0.00 0.00 0.00 179.25 181.41 1y9x h LEU 27 N 1.04 0.34 -0.24 0.00 5.85 -0.81 -1.27 115.31 120.22 1y9x h LEU 27 Ca 0.24 0.06 -0.17 0.00 0.84 0.00 0.00 57.88 58.85 1y9x h LEU 27 Cb 0.24 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1y9x h LEU 27 CO -0.02 0.20 -0.50 0.74 -0.34 0.00 0.00 178.44 178.53 1y9x h THR 28 N 0.50 1.30 -0.74 1.05 2.02 -0.71 -3.22 112.91 113.10 1y9x h THR 28 Ca 0.31 -1.70 -0.00 0.00 0.77 0.00 0.00 66.41 65.78 1y9x h THR 28 Cb 0.34 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 1y9x h THR 28 CO -0.27 0.54 0.45 -0.07 0.37 0.00 0.00 175.52 176.54 1y9x h LEU 29 N 0.49 0.88 -1.20 2.58 3.38 -0.55 -0.70 115.31 120.19 1y9x h LEU 29 Ca 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1y9x h LEU 29 Cb 1.11 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1y9x h LEU 29 CO 0.11 0.67 0.29 -0.07 0.09 0.00 0.00 178.44 179.54 1y9x h LEU 30 N 1.02 0.76 -1.53 1.67 3.38 -1.27 -1.53 115.31 117.81 1y9x h LEU 30 Ca 0.27 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1y9x h LEU 30 Cb -0.05 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1y9x h LEU 30 CO -0.05 0.65 0.00 0.59 0.09 0.00 0.00 178.44 179.72 1y9x n ASN 31 N -4.36 2.36 -0.02 -0.43 4.13 -0.89 -3.90 115.26 112.16 1y9x n ASN 31 Ca 0.05 -1.79 -0.10 0.00 1.68 0.00 0.00 54.58 54.43 1y9x n ASN 31 Cb 0.13 -0.03 -0.14 0.00 -1.54 0.00 0.00 39.78 38.20 1y9x n ASN 31 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1y9x n GLN 32 N 0.83 0.65 0.00 3.52 -0.06 -0.32 -4.98 117.38 117.03 1y9x n GLN 32 Ca 0.17 0.28 0.00 0.00 -2.00 0.00 0.00 57.00 55.44 1y9x n GLN 32 Cb 0.49 -1.77 0.00 0.00 -4.06 0.00 0.00 30.24 24.90 1y9x n GLN 32 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1y9x n GLY 33 N 1.62 1.01 3.55 1.69 0.00 -0.79 -5.08 105.19 107.19 1y9x n GLY 33 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1y9x n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y9x s VAL 34 N -0.01 3.73 0.08 1.61 1.01 -0.72 -4.84 120.40 121.26 1y9x s VAL 34 Ca 0.00 0.38 -0.09 0.00 0.00 0.00 0.00 61.98 62.28 1y9x s VAL 34 Cb 0.00 -4.92 -0.27 0.00 0.00 0.00 0.00 36.38 31.19 1y9x s VAL 34 CO 0.00 -1.86 1.16 0.28 0.00 0.00 0.00 175.10 174.68 1y9x h SER 35 N 10.02 0.65 -3.17 3.32 0.02 -1.86 -3.34 113.55 119.20 1y9x h SER 35 Ca -0.27 -0.62 -0.67 0.00 -0.84 0.00 0.00 61.79 59.40 1y9x h SER 35 Cb 1.05 -0.21 -0.35 0.00 0.14 0.00 0.00 62.40 63.03 1y9x h SER 35 CO 1.28 1.44 -0.85 -1.83 -1.14 0.00 0.00 176.83 175.74 1y9x s GLU 36 N -2.92 2.85 0.28 3.45 -1.05 -1.26 -0.32 118.70 119.73 1y9x s GLU 36 Ca -0.07 -0.88 0.12 0.00 -0.15 0.00 0.00 54.97 53.99 1y9x s GLU 36 Cb 0.07 -2.59 -0.05 0.00 -0.44 0.00 0.00 34.13 31.12 1y9x s GLU 36 CO 0.90 -0.26 -0.18 0.96 0.95 0.00 0.00 175.26 177.63 1y9x s ILE 37 N 1.28 2.53 -0.20 1.83 -4.36 -0.61 -4.97 121.20 116.69 1y9x s ILE 37 Ca 0.03 -2.36 -0.00 0.00 -0.26 0.00 0.00 60.65 58.06 1y9x s ILE 37 Cb -0.14 -2.36 0.05 0.00 1.25 0.00 0.00 42.46 41.26 1y9x s ILE 37 CO -0.12 -0.39 -0.04 -0.69 0.24 0.00 0.00 174.94 173.94 1y9x s VAL 38 N -2.50 1.20 -0.16 8.37 1.01 -0.12 -1.99 120.40 126.20 1y9x s VAL 38 Ca 0.30 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 1y9x s VAL 38 Cb -0.05 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1y9x s VAL 38 CO 0.15 -0.01 0.51 -0.63 0.00 0.00 0.00 175.10 175.13 1y9x s ILE 39 N 1.57 5.13 -0.28 2.22 1.01 0.11 -2.65 121.20 128.32 1y9x s ILE 39 Ca -0.02 0.97 -0.02 0.00 0.00 0.00 0.00 60.65 61.58 1y9x s ILE 39 Cb -0.17 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.50 1y9x s ILE 39 CO -0.07 0.24 -0.02 -0.54 0.00 0.00 0.00 174.94 174.54 1y9x s LYS 40 N 1.22 2.68 -0.11 2.79 1.02 -0.11 -1.08 119.74 126.15 1y9x s LYS 40 Ca 0.25 -1.09 0.00 0.00 0.02 0.00 0.00 55.97 55.15 1y9x s LYS 40 Cb -0.15 -3.11 -0.02 0.00 -0.52 0.00 0.00 37.83 34.02 1y9x s LYS 40 CO 0.10 -0.50 -0.10 0.00 -0.92 0.00 0.00 175.35 173.92 1y9x s ALA 41 N 1.31 2.76 0.02 5.17 0.00 -0.96 -2.57 121.76 127.50 1y9x s ALA 41 Ca -0.02 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.09 1y9x s ALA 41 Cb -0.18 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.69 1y9x s ALA 41 CO -0.02 0.37 -0.14 1.03 0.00 0.00 0.00 175.76 176.99 1y9x s ARG 42 N -0.08 1.00 -0.35 0.00 0.52 -1.26 -1.72 118.95 117.06 1y9x s ARG 42 Ca -0.01 -0.66 -0.12 0.00 -0.52 0.00 0.00 55.73 54.42 1y9x s ARG 42 Cb -0.14 -1.00 0.01 0.00 0.52 0.00 0.00 34.95 34.35 1y9x s ARG 42 CO 0.03 0.26 0.44 0.41 0.02 0.00 0.00 175.30 176.46 1y9x n GLY 43 N 2.21 -1.61 4.59 -3.53 0.00 -0.59 -3.73 105.19 102.54 1y9x n GLY 43 Ca -0.17 0.95 0.00 0.00 0.00 0.00 0.00 46.02 46.81 1y9x n GLY 43 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1y9x n ARG 44 N -0.21 0.00 0.00 1.61 1.85 -1.26 -4.70 116.66 113.95 1y9x n ARG 44 Ca 0.09 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 57.05 1y9x n ARG 44 Cb 0.33 -3.88 0.62 0.00 -1.05 0.00 0.00 32.46 28.48 1y9x n ARG 44 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1y9x n ALA 45 N 0.95 2.24 -0.34 2.89 0.00 -1.24 -3.46 120.51 121.55 1y9x n ALA 45 Ca 0.00 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.45 1y9x n ALA 45 Cb 0.00 -1.37 0.34 0.00 0.00 0.00 0.00 19.45 18.42 1y9x n ALA 45 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1y9x h ILE 46 N 0.00 0.73 0.00 0.00 2.04 -1.84 0.17 117.51 118.61 1y9x h ILE 46 Ca 0.00 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1y9x h ILE 46 Cb 0.11 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 1y9x h ILE 46 CO 0.00 0.14 -0.18 -1.28 0.00 0.00 0.00 178.15 176.82 1y9x h SER 47 N 0.75 0.00 0.93 1.72 0.87 -1.98 -2.52 113.55 113.32 1y9x h SER 47 Ca 0.56 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.93 1y9x h SER 47 Cb 0.89 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.82 1y9x h SER 47 CO -0.34 0.18 -1.14 0.11 -0.53 0.00 0.00 176.83 175.11 1y9x h LYS 48 N 0.00 0.00 -0.32 2.24 1.57 -1.23 -2.88 116.57 115.95 1y9x h LYS 48 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1y9x h LYS 48 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1y9x h LYS 48 CO 0.02 0.58 -0.02 0.00 -0.57 0.00 0.00 179.45 179.47 1y9x h ALA 49 N 1.23 0.43 -0.16 3.86 0.00 -1.10 -0.55 119.26 122.97 1y9x h ALA 49 Ca -0.11 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 1y9x h ALA 49 Cb 1.68 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1y9x h ALA 49 CO 0.08 0.21 -0.53 -0.24 0.00 0.00 0.00 179.25 178.77 1y9x h VAL 50 N 0.37 1.33 -0.23 0.00 3.04 -1.64 -2.86 116.25 116.26 1y9x h VAL 50 Ca 0.09 -1.79 0.01 0.00 -1.01 0.00 0.00 66.70 64.00 1y9x h VAL 50 Cb 0.48 1.79 -0.01 0.00 -2.01 0.00 0.00 31.29 31.53 1y9x h VAL 50 CO 0.02 0.55 0.14 -0.78 -1.01 0.00 0.00 177.57 176.49 1y9x h ASP 51 N 0.36 0.22 0.22 3.17 1.82 -1.32 0.16 116.42 121.07 1y9x h ASP 51 Ca 0.01 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.66 1y9x h ASP 51 Cb 1.05 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.98 1y9x h ASP 51 CO 0.10 0.17 -0.36 0.74 -1.61 0.00 0.00 179.24 178.27 1y9x h THR 52 N 0.28 0.26 -0.04 2.25 2.02 -1.02 -1.10 112.91 115.56 1y9x h THR 52 Ca 0.09 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 1y9x h THR 52 Cb -0.01 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1y9x h THR 52 CO -0.04 0.00 -0.34 -0.37 0.37 0.00 0.00 175.52 175.14 1y9x h VAL 53 N -0.65 1.26 -0.55 3.16 -1.51 -1.36 -2.37 116.25 114.23 1y9x h VAL 53 Ca 0.00 -1.23 -0.09 0.00 -1.23 0.00 0.00 66.70 64.16 1y9x h VAL 53 Cb 0.64 1.60 -0.02 0.00 -2.13 0.00 0.00 31.29 31.38 1y9x h VAL 53 CO -0.15 0.36 -0.02 -0.08 -1.23 0.00 0.00 177.57 176.45 1y9x h GLU 54 N 0.07 0.95 -0.02 5.19 4.81 -0.46 -1.27 114.58 123.86 1y9x h GLU 54 Ca 0.01 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1y9x h GLU 54 Cb 0.63 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 1y9x h GLU 54 CO 0.05 0.95 -0.00 0.82 -0.73 0.00 0.00 179.01 180.10 1y9x h ILE 55 N 0.87 1.25 -0.11 2.32 2.04 -0.85 -3.21 117.51 119.82 1y9x h ILE 55 Ca 0.16 -0.75 0.03 0.00 1.00 0.00 0.00 64.86 65.29 1y9x h ILE 55 Cb 0.54 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 1y9x h ILE 55 CO 0.03 0.20 -0.06 0.58 0.00 0.00 0.00 178.15 178.90 1y9x h VAL 56 N -0.27 0.81 0.00 1.67 2.07 -1.22 -1.44 116.25 117.87 1y9x h VAL 56 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1y9x h VAL 56 Cb 0.32 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1y9x h VAL 56 CO 0.00 0.00 0.00 -2.11 0.02 0.00 0.00 177.57 175.48 1y9x n ARG 57 N -5.19 0.10 -0.00 1.57 1.85 -0.50 -1.37 116.66 113.12 1y9x n ARG 57 Ca -0.04 0.22 0.02 0.00 -1.00 0.00 0.00 57.85 57.06 1y9x n ARG 57 Cb 0.12 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.00 1y9x n ARG 57 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1y9x n ASN 58 N -1.39 0.98 -0.08 2.89 5.15 -1.02 -3.97 115.26 117.83 1y9x n ASN 58 Ca 0.05 -0.49 -0.16 0.00 -0.60 0.00 0.00 54.58 53.38 1y9x n ASN 58 Cb 0.12 1.05 -0.05 0.00 -0.53 0.00 0.00 39.78 40.37 1y9x n ASN 58 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1y9x n ARG 59 N -1.23 0.40 -0.05 1.20 0.63 -0.57 -4.81 116.66 112.22 1y9x n ARG 59 Ca 0.01 0.17 -0.01 0.00 -0.92 0.00 0.00 57.85 57.10 1y9x n ARG 59 Cb 0.09 -1.19 -0.00 0.00 0.45 0.00 0.00 32.46 31.81 1y9x n ARG 59 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 1y9x h PHE 60 N -0.71 0.00 -2.27 -0.14 3.57 -1.45 -3.46 116.94 112.47 1y9x h PHE 60 Ca -0.33 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 60.87 1y9x h PHE 60 Cb 1.19 0.00 -0.34 0.00 2.79 0.00 0.00 35.95 39.59 1y9x h PHE 60 CO -0.15 0.00 -0.61 -1.17 -2.23 0.00 0.00 178.31 174.15 1y9x s LEU 61 N -8.31 -0.23 0.00 0.59 1.98 -1.25 -5.00 118.68 106.45 1y9x s LEU 61 Ca -0.03 -0.40 0.23 0.00 -2.89 0.00 0.00 54.13 51.04 1y9x s LEU 61 Cb 0.00 0.53 0.49 0.00 0.66 0.00 0.00 46.19 47.88 1y9x s LEU 61 CO 0.05 -0.35 1.44 0.00 -1.89 0.00 0.00 176.35 175.60 1y9x n ALA 62 N 5.32 2.42 -0.04 5.97 0.00 -1.25 -4.51 120.51 128.41 1y9x n ALA 62 Ca -0.04 -1.04 -0.03 0.00 0.00 0.00 0.00 53.44 52.32 1y9x n ALA 62 Cb 0.48 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 1y9x n ALA 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1y9x n ASP 63 N 1.49 0.94 -4.33 0.00 2.03 -1.26 -4.84 116.55 110.58 1y9x n ASP 63 Ca 0.20 0.30 -0.46 0.00 0.52 0.00 0.00 54.79 55.36 1y9x n ASP 63 Cb 0.60 -0.65 -0.03 0.00 -0.72 0.00 0.00 41.12 40.32 1y9x n ASP 63 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1y9x s LYS 64 N -1.79 3.35 -0.11 -0.67 1.02 -1.26 -4.97 119.74 115.31 1y9x s LYS 64 Ca -0.11 -2.07 -0.11 0.00 0.02 0.00 0.00 55.97 53.69 1y9x s LYS 64 Cb 0.02 -4.40 0.03 0.00 -0.52 0.00 0.00 37.83 32.95 1y9x s LYS 64 CO 0.16 -1.35 0.32 -1.50 -0.92 0.00 0.00 175.35 172.06 1y9x s ILE 65 N 1.01 0.01 0.08 2.17 1.10 -1.26 -4.06 121.20 120.24 1y9x s ILE 65 Ca 0.13 -0.06 0.04 0.00 -0.51 0.00 0.00 60.65 60.25 1y9x s ILE 65 Cb -0.18 -0.47 -0.03 0.00 0.15 0.00 0.00 42.46 41.93 1y9x s ILE 65 CO -0.04 -0.03 -0.11 -0.70 -2.11 0.00 0.00 174.94 171.95 1y9x s GLU 66 N -0.00 0.80 -0.15 3.50 2.12 0.07 -4.93 118.70 120.11 1y9x s GLU 66 Ca -0.02 -1.05 -0.05 0.00 0.36 0.00 0.00 54.97 54.22 1y9x s GLU 66 Cb -0.03 -0.60 -0.04 0.00 0.26 0.00 0.00 34.13 33.73 1y9x s GLU 66 CO 0.01 0.11 0.03 0.42 -0.54 0.00 0.00 175.26 175.29 1y9x s ILE 67 N -1.94 4.49 -0.07 -3.70 1.01 -1.26 -0.14 121.20 119.59 1y9x s ILE 67 Ca 0.01 -0.15 -0.21 0.00 0.00 0.00 0.00 60.65 60.30 1y9x s ILE 67 Cb -0.06 -2.98 -0.16 0.00 0.01 0.00 0.00 42.46 39.27 1y9x s ILE 67 CO 0.01 0.51 0.78 0.50 0.00 0.00 0.00 174.94 176.74 1y9x h LYS 68 N 6.23 -0.12 -1.53 2.79 1.63 -1.26 -3.45 116.57 120.86 1y9x h LYS 68 Ca -0.40 0.01 0.21 0.00 -0.85 0.00 0.00 60.65 59.62 1y9x h LYS 68 Cb 1.18 0.03 -0.20 0.00 -0.60 0.00 0.00 32.23 32.64 1y9x h LYS 68 CO 0.64 0.39 0.75 -2.00 -3.45 0.00 0.00 179.45 175.78 1y9x s GLU 69 N -3.00 0.38 -0.16 1.90 2.56 -1.13 -5.03 118.70 114.23 1y9x s GLU 69 Ca -0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 54.97 54.76 1y9x s GLU 69 Cb -0.00 0.18 0.04 0.00 2.00 0.00 0.00 34.13 36.34 1y9x s GLU 69 CO 0.48 -0.15 -0.04 0.42 -0.56 0.00 0.00 175.26 175.40 1y9x s ILE 70 N -2.08 1.01 0.02 -3.70 1.01 -1.26 -2.87 121.20 113.32 1y9x s ILE 70 Ca 0.07 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1y9x s ILE 70 Cb -0.01 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 1y9x s ILE 70 CO -0.05 0.14 -0.03 0.00 0.00 0.00 0.00 174.94 175.00 1y9x s ARG 71 N 1.68 0.27 -0.01 2.79 1.70 -1.12 -5.05 118.95 119.20 1y9x s ARG 71 Ca 0.01 -0.48 -0.06 0.00 -0.47 0.00 0.00 55.73 54.73 1y9x s ARG 71 Cb -0.15 0.03 0.00 0.00 -0.57 0.00 0.00 34.95 34.26 1y9x s ARG 71 CO -0.08 -0.02 0.13 0.54 -1.08 0.00 0.00 175.30 174.79 1y9x s VAL 72 N -1.10 0.06 0.01 4.99 0.11 -1.26 -0.77 120.40 122.44 1y9x s VAL 72 Ca -0.11 -0.49 -0.02 0.00 -2.93 0.00 0.00 61.98 58.43 1y9x s VAL 72 Cb -0.08 -0.35 0.01 0.00 -1.53 0.00 0.00 36.38 34.43 1y9x s VAL 72 CO -0.01 -0.27 0.11 0.61 -3.33 0.00 0.00 175.10 172.22 1y9x n GLY 73 N 1.95 1.02 3.44 6.54 0.00 -0.18 -5.00 105.19 112.96 1y9x n GLY 73 Ca -0.20 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 1y9x n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y9x s SER 74 N -1.26 4.83 -0.31 1.61 1.04 -1.26 -0.34 113.70 118.00 1y9x s SER 74 Ca 0.03 -0.21 -0.12 0.00 0.48 0.00 0.00 55.95 56.12 1y9x s SER 74 Cb -0.00 -1.83 -0.03 0.00 0.10 0.00 0.00 66.02 64.25 1y9x s SER 74 CO 0.00 0.05 0.22 -1.58 0.98 0.00 0.00 173.24 172.91 1y9x s GLN 75 N 1.10 3.72 -0.34 4.02 0.74 0.50 -4.93 119.66 124.48 1y9x s GLN 75 Ca 0.02 -0.48 -0.12 0.00 0.05 0.00 0.00 55.36 54.83 1y9x s GLN 75 Cb -0.14 -3.74 -0.02 0.00 1.10 0.00 0.00 33.01 30.21 1y9x s GLN 75 CO 0.02 -0.32 0.23 0.08 -0.55 0.00 0.00 175.29 174.74 1y9x s VAL 76 N 1.75 5.18 0.20 1.34 1.01 -1.26 -1.41 120.40 127.21 1y9x s VAL 76 Ca 0.07 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1y9x s VAL 76 Cb -0.17 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1y9x s VAL 76 CO 0.11 0.00 -0.03 0.68 0.00 0.00 0.00 175.10 175.86 1y9x s VAL 77 N 1.71 0.99 -0.01 2.92 -7.23 -0.37 -4.96 120.40 113.44 1y9x s VAL 77 Ca 0.06 -2.03 -0.07 0.00 -1.81 0.00 0.00 61.98 58.13 1y9x s VAL 77 Cb -0.17 -2.16 -0.05 0.00 0.56 0.00 0.00 36.38 34.56 1y9x s VAL 77 CO 0.10 -0.47 0.26 0.42 -0.31 0.00 0.00 175.10 175.10 1y9x s THR 78 N -3.45 5.32 0.12 5.32 -4.23 -1.26 0.43 115.64 117.89 1y9x s THR 78 Ca 0.24 0.21 -0.14 0.00 -1.18 0.00 0.00 61.69 60.82 1y9x s THR 78 Cb 0.05 -3.55 -0.03 0.00 1.34 0.00 0.00 72.50 70.30 1y9x s THR 78 CO 0.05 0.42 1.53 -1.28 -0.54 0.00 0.00 174.62 174.80 1y9x h SER 79 N 4.17 0.75 0.00 3.99 0.87 -1.55 -3.46 113.55 118.32 1y9x h SER 79 Ca -0.51 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 59.69 1y9x h SER 79 Cb 1.20 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1y9x h SER 79 CO 0.65 0.94 0.00 0.00 -0.53 0.00 0.00 176.83 177.89 1y9x n GLN 80 N -4.36 0.00 0.00 2.24 10.64 -1.26 -5.09 117.38 119.55 1y9x n GLN 80 Ca -0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 1y9x n GLN 80 Cb 0.35 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.73 1y9x n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1y9x n ASP 81 N 0.00 1.08 -4.12 2.61 -0.08 -1.26 -5.01 116.55 109.77 1y9x n ASP 81 Ca 0.00 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.90 1y9x n ASP 81 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 1y9x n ASP 81 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1y9x n GLY 82 N 4.13 2.42 2.78 0.27 0.00 -1.26 -4.73 105.19 108.81 1y9x n GLY 82 Ca 0.00 -1.19 -0.16 0.00 0.00 0.00 0.00 46.02 44.67 1y9x n GLY 82 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1y9x s ARG 83 N 4.98 0.30 -0.23 1.61 3.52 -1.26 -5.04 118.95 122.82 1y9x s ARG 83 Ca 0.58 0.05 -0.27 0.00 -0.13 0.00 0.00 55.73 55.96 1y9x s ARG 83 Cb 0.08 -0.76 0.00 0.00 -1.56 0.00 0.00 34.95 32.71 1y9x s ARG 83 CO 0.08 -0.88 0.95 -0.65 -0.81 0.00 0.00 175.30 173.99 1y9x s GLN 84 N 2.38 4.23 -0.23 5.12 1.11 -1.26 -1.24 119.66 129.77 1y9x s GLN 84 Ca 0.09 1.18 -0.09 0.00 0.01 0.00 0.00 55.36 56.55 1y9x s GLN 84 Cb -0.15 -3.64 -0.04 0.00 -1.01 0.00 0.00 33.01 28.18 1y9x s GLN 84 CO -0.25 -0.57 0.11 -1.12 0.01 0.00 0.00 175.29 173.46 1y9x s SER 85 N 1.26 5.62 -0.29 5.90 0.01 0.17 -4.95 113.70 121.43 1y9x s SER 85 Ca 0.40 -0.03 -0.09 0.00 1.31 0.00 0.00 55.95 57.54 1y9x s SER 85 Cb -0.15 -2.01 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 1y9x s SER 85 CO 0.07 0.04 0.12 -0.13 0.41 0.00 0.00 173.24 173.75 1y9x s ARG 86 N 1.18 3.47 -0.09 12.44 0.52 -1.26 -1.24 118.95 133.96 1y9x s ARG 86 Ca 0.06 -0.62 0.01 0.00 -0.52 0.00 0.00 55.73 54.66 1y9x s ARG 86 Cb -0.14 -3.48 0.02 0.00 0.52 0.00 0.00 34.95 31.86 1y9x s ARG 86 CO 0.04 -0.33 -0.12 0.08 0.02 0.00 0.00 175.30 175.00 1y9x s VAL 87 N 1.62 1.23 -0.03 3.52 1.01 -0.50 -4.95 120.40 122.29 1y9x s VAL 87 Ca 0.05 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 1y9x s VAL 87 Cb -0.16 -1.15 -0.06 0.00 0.00 0.00 0.00 36.38 35.01 1y9x s VAL 87 CO 0.05 0.39 1.62 -0.94 0.00 0.00 0.00 175.10 176.22 1y9x s SER 88 N 1.04 6.68 0.18 3.32 1.04 -1.26 -0.37 113.70 124.33 1y9x s SER 88 Ca -0.07 2.26 0.10 0.00 0.48 0.00 0.00 55.95 58.73 1y9x s SER 88 Cb -0.15 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.39 1y9x s SER 88 CO -0.01 -0.89 -0.18 0.42 0.98 0.00 0.00 173.24 173.56 1y9x s THR 89 N 3.57 2.73 -0.06 2.02 -4.23 0.54 -1.55 115.64 118.66 1y9x s THR 89 Ca 0.72 -1.84 -0.02 0.00 -1.18 0.00 0.00 61.69 59.37 1y9x s THR 89 Cb -0.34 -2.32 0.04 0.00 1.34 0.00 0.00 72.50 71.21 1y9x s THR 89 CO 0.30 -0.09 0.12 -0.51 -0.54 0.00 0.00 174.62 173.89 1y9x s ILE 90 N -1.64 -0.06 -0.40 2.99 2.07 -0.70 -1.01 121.20 122.45 1y9x s ILE 90 Ca 0.22 0.19 -0.09 0.00 -1.41 0.00 0.00 60.65 59.57 1y9x s ILE 90 Cb -0.08 -0.21 0.07 0.00 0.13 0.00 0.00 42.46 42.37 1y9x s ILE 90 CO 0.12 0.08 0.23 -1.61 -1.91 0.00 0.00 174.94 171.85 1y9x s GLU 91 N 1.18 2.61 -0.38 3.50 8.01 0.05 -2.26 118.70 131.41 1y9x s GLU 91 Ca -0.09 -1.40 -0.13 0.00 0.01 0.00 0.00 54.97 53.36 1y9x s GLU 91 Cb -0.12 -3.73 0.02 0.00 -4.31 0.00 0.00 34.13 25.99 1y9x s GLU 91 CO -0.05 -0.90 0.25 0.42 0.01 0.00 0.00 175.26 174.98 1y9x s ILE 92 N 1.42 4.91 -0.11 -1.63 -1.09 -0.24 -2.81 121.20 121.65 1y9x s ILE 92 Ca 0.02 -0.71 0.03 0.00 -2.23 0.00 0.00 60.65 57.77 1y9x s ILE 92 Cb -0.22 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 1y9x s ILE 92 CO 0.02 -0.23 -0.22 0.00 -1.23 0.00 0.00 174.94 173.28 1y9x s ALA 93 N 1.62 2.24 0.13 9.38 0.00 -1.14 0.09 121.76 134.08 1y9x s ALA 93 Ca 0.04 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.07 1y9x s ALA 93 Cb -0.19 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1y9x s ALA 93 CO 0.08 0.22 -0.14 0.96 0.00 0.00 0.00 175.76 176.88 1y9x s ILE 94 N 0.45 1.37 -0.06 0.00 -4.36 -0.84 -0.83 121.20 116.91 1y9x s ILE 94 Ca -0.16 -1.76 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 1y9x s ILE 94 Cb -0.17 -1.58 0.02 0.00 1.25 0.00 0.00 42.46 41.98 1y9x s ILE 94 CO 0.06 -0.43 -0.05 -0.60 0.24 0.00 0.00 174.94 174.16 1y9x s ARG 95 N -2.76 1.02 -0.18 0.37 3.52 0.81 -1.58 118.95 120.15 1y9x s ARG 95 Ca 0.10 -0.13 -0.21 0.00 -0.13 0.00 0.00 55.73 55.36 1y9x s ARG 95 Cb -0.04 -1.06 -0.03 0.00 -1.56 0.00 0.00 34.95 32.26 1y9x s ARG 95 CO 0.03 -0.14 0.64 0.21 -0.81 0.00 0.00 175.30 175.23 1y9x s LYS 96 N 1.22 4.24 0.00 5.12 2.36 0.56 -0.75 119.74 132.49 1y9x s LYS 96 Ca -0.06 0.65 0.32 0.00 -2.55 0.00 0.00 55.97 54.33 1y9x s LYS 96 Cb -0.14 -3.56 1.88 0.00 -1.05 0.00 0.00 37.83 34.96 1y9x s LYS 96 CO -0.02 -0.20 2.20 1.63 1.55 0.00 0.00 175.35 180.51