#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9x s SER 2 N 0.00 6.89 0.00 7.83 1.04 -1.26 -4.93 113.70 123.26 1y9x s SER 2 Ca 0.00 2.53 0.07 0.00 0.48 0.00 0.00 55.95 59.02 1y9x s SER 2 Cb 0.00 -2.63 0.04 0.00 0.10 0.00 0.00 66.02 63.53 1y9x s SER 2 CO 0.00 -0.48 0.65 -0.24 0.98 0.00 0.00 173.24 174.15 1y9x n SER 3 N 1.55 1.38 -0.02 7.02 2.88 -1.26 -4.65 113.62 120.52 1y9x n SER 3 Ca 0.02 -1.19 -0.22 0.00 -1.33 0.00 0.00 58.87 56.16 1y9x n SER 3 Cb 0.42 0.15 -0.13 0.00 -0.75 0.00 0.00 64.21 63.90 1y9x n SER 3 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1y9x h GLY 4 N 1.36 0.24 -6.29 0.46 0.00 -2.10 -3.46 103.07 93.27 1y9x h GLY 4 Ca 0.00 -0.61 -0.48 0.00 0.00 0.00 0.00 47.33 46.24 1y9x h GLY 4 CO 0.00 0.53 -0.80 -1.59 0.00 0.00 0.00 176.54 174.68 1y9x s THR 5 N -2.51 0.89 0.72 4.70 2.01 -1.26 -5.15 115.64 115.04 1y9x s THR 5 Ca -0.24 -0.28 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 1y9x s THR 5 Cb 0.06 -0.88 0.02 0.00 0.01 0.00 0.00 72.50 71.72 1y9x s THR 5 CO 0.73 0.32 1.08 -2.84 -0.69 0.00 0.00 174.62 173.22 1y9x s PRO 6 N 1.15 2.72 -0.15 4.92 0.02 -1.26 -4.84 135.00 137.55 1y9x s PRO 6 Ca -0.06 0.67 -0.22 0.00 0.02 0.00 0.00 61.00 61.41 1y9x s PRO 6 Cb -0.14 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 1y9x s PRO 6 CO -0.01 -1.18 0.68 0.95 -0.33 0.00 0.00 177.00 177.10 1y9x s THR 7 N -3.19 5.01 0.61 0.99 -4.23 -1.26 -5.07 115.64 108.50 1y9x s THR 7 Ca 0.59 1.33 -0.07 0.00 -1.18 0.00 0.00 61.69 62.35 1y9x s THR 7 Cb -0.13 -4.00 0.01 0.00 1.34 0.00 0.00 72.50 69.72 1y9x s THR 7 CO 0.54 0.14 0.94 -2.16 -0.54 0.00 0.00 174.62 173.54 1y9x s PRO 8 N 1.61 2.88 -0.23 3.99 0.04 -1.26 -5.09 135.00 136.93 1y9x s PRO 8 Ca 0.33 0.06 -0.04 0.00 0.04 0.00 0.00 61.00 61.39 1y9x s PRO 8 Cb -0.16 -2.22 0.08 0.00 0.04 0.00 0.00 34.50 32.23 1y9x s PRO 8 CO 0.13 -0.78 0.10 0.45 0.04 0.00 0.00 177.00 176.93 1y9x s SER 9 N -4.32 3.06 -0.02 6.66 0.15 -1.26 -4.94 113.70 113.03 1y9x s SER 9 Ca 0.55 -1.01 0.02 0.00 0.70 0.00 0.00 55.95 56.22 1y9x s SER 9 Cb -0.11 -0.40 0.04 0.00 -1.71 0.00 0.00 66.02 63.84 1y9x s SER 9 CO 0.46 -0.38 0.86 -0.46 1.20 0.00 0.00 173.24 174.92 1y9x n ASN 10 N 5.19 0.45 -4.25 5.45 6.94 -1.26 -5.05 115.26 122.73 1y9x n ASN 10 Ca -0.06 -1.82 -0.32 0.00 -0.02 0.00 0.00 54.58 52.36 1y9x n ASN 10 Cb 0.45 -0.15 -0.17 0.00 -2.36 0.00 0.00 39.78 37.56 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 -0.44 2.05 0.04 3.53 -7.23 -1.26 -0.42 120.40 116.67 1y9x s VAL 11 Ca 0.04 -1.05 0.09 0.00 -1.81 0.00 0.00 61.98 59.25 1y9x s VAL 11 Cb 0.03 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 1y9x s VAL 11 CO 0.00 0.56 -0.25 0.68 -0.31 0.00 0.00 175.10 175.79 1y9x s VAL 12 N 0.02 1.98 -0.24 1.32 -7.23 -0.89 -5.00 120.40 110.36 1y9x s VAL 12 Ca -0.09 -1.32 -0.07 0.00 -1.81 0.00 0.00 61.98 58.68 1y9x s VAL 12 Cb -0.15 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.06 1y9x s VAL 12 CO 0.06 0.32 0.07 -0.22 -0.31 0.00 0.00 175.10 175.01 1y9x s LEU 13 N -1.21 3.49 -0.60 1.32 2.96 -1.26 -1.25 118.68 122.14 1y9x s LEU 13 Ca 0.10 -0.16 -0.23 0.00 -0.22 0.00 0.00 54.13 53.61 1y9x s LEU 13 Cb -0.10 -1.93 0.05 0.00 0.50 0.00 0.00 46.19 44.72 1y9x s LEU 13 CO 0.02 -0.00 0.95 -0.63 -1.32 0.00 0.00 176.35 175.37 1y9x s ILE 14 N 1.42 4.36 0.00 6.68 -1.09 0.00 -4.67 121.20 127.89 1y9x s ILE 14 Ca 0.05 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.48 1y9x s ILE 14 Cb -0.15 -4.60 0.00 0.00 -1.58 0.00 0.00 42.46 36.13 1y9x s ILE 14 CO 0.04 -1.26 0.00 0.61 -1.23 0.00 0.00 174.94 173.09 1y9x n GLY 15 N 5.21 -0.20 1.46 6.18 0.00 -1.26 -4.10 105.19 112.48 1y9x n GLY 15 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.93 1.61 3.00 -1.26 -5.15 118.16 112.43 1y9x n LYS 16 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.05 1y9x n LYS 16 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 1y9x n LYS 16 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1y9x s LYS 17 N -2.00 3.44 0.89 1.64 1.02 -1.26 -5.10 119.74 118.37 1y9x s LYS 17 Ca 0.00 -0.58 -0.10 0.00 0.02 0.00 0.00 55.97 55.31 1y9x s LYS 17 Cb 0.00 -2.96 0.13 0.00 -0.52 0.00 0.00 37.83 34.47 1y9x s LYS 17 CO 0.00 0.52 1.13 -2.14 -0.92 0.00 0.00 175.35 173.94 1y9x s PRO 18 N -3.21 1.27 0.44 -1.68 0.02 -1.26 -4.89 135.00 125.69 1y9x s PRO 18 Ca 0.35 1.44 0.23 0.00 0.02 0.00 0.00 61.00 63.04 1y9x s PRO 18 Cb -0.11 -1.76 1.22 0.00 0.02 0.00 0.00 34.50 33.86 1y9x s PRO 18 CO 0.28 -2.42 1.81 -0.24 -0.33 0.00 0.00 177.00 176.11 1y9x h VAL 19 N -1.71 0.55 0.00 3.83 3.04 -1.99 -0.10 116.25 119.86 1y9x h VAL 19 Ca -0.44 -0.10 -0.00 0.00 -1.01 0.00 0.00 66.70 65.16 1y9x h VAL 19 Cb 1.26 0.24 -0.00 0.00 -2.01 0.00 0.00 31.29 30.78 1y9x h VAL 19 CO 0.44 0.05 -0.00 0.00 -1.01 0.00 0.00 177.57 177.05 1y9x h MET 20 N 0.28 0.00 0.00 4.17 -0.00 -2.00 -0.69 114.93 116.69 1y9x h MET 20 Ca 0.53 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 60.11 1y9x h MET 20 Cb 1.56 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.14 1y9x h MET 20 CO -0.18 0.00 -0.65 -0.91 -0.00 0.00 0.00 176.91 175.17 1y9x h ASN 21 N 0.00 0.00 0.35 -0.10 2.35 -1.35 -3.01 115.58 113.82 1y9x h ASN 21 Ca -0.00 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.43 1y9x h ASN 21 Cb 0.01 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.38 1y9x h ASN 21 CO 0.00 0.58 -1.58 1.88 -1.65 0.00 0.00 177.43 176.66 1y9x h TYR 22 N 0.00 0.61 0.52 1.19 0.05 -1.24 -2.71 116.97 115.39 1y9x h TYR 22 Ca -0.02 -0.45 -0.02 0.00 0.05 0.00 0.00 58.73 58.29 1y9x h TYR 22 Cb 1.46 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 39.17 1y9x h TYR 22 CO 0.00 1.50 -0.28 0.28 -1.05 0.00 0.00 178.16 178.61 1y9x h VAL 23 N 0.09 0.42 -0.11 -2.88 2.07 -1.36 -2.38 116.25 112.10 1y9x h VAL 23 Ca -0.27 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1y9x h VAL 23 Cb 2.06 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1y9x h VAL 23 CO 0.18 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 177.66 1y9x h LEU 24 N -0.74 0.15 -0.67 2.57 4.07 -1.66 -2.39 115.31 116.65 1y9x h LEU 24 Ca -0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 1y9x h LEU 24 Cb 0.59 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.26 1y9x h LEU 24 CO 0.09 0.22 0.38 0.00 -1.08 0.00 0.00 178.44 178.06 1y9x h ALA 25 N 1.80 0.85 -0.67 1.53 0.00 -1.14 -0.14 119.26 121.48 1y9x h ALA 25 Ca 0.04 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1y9x h ALA 25 Cb 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1y9x h ALA 25 CO 0.01 0.35 0.13 0.00 0.00 0.00 0.00 179.25 179.74 1y9x h ALA 26 N 1.19 0.89 -0.76 0.00 0.00 -0.93 -1.01 119.26 118.65 1y9x h ALA 26 Ca 0.24 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1y9x h ALA 26 Cb 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1y9x h ALA 26 CO -0.04 0.64 0.30 -0.07 0.00 0.00 0.00 179.25 180.07 1y9x h LEU 27 N 1.02 1.04 -1.06 0.00 4.07 -1.23 -0.83 115.31 118.32 1y9x h LEU 27 Ca 0.21 -0.16 -0.08 0.00 0.08 0.00 0.00 57.88 57.93 1y9x h LEU 27 Cb 0.41 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 1y9x h LEU 27 CO 0.01 0.92 -0.16 0.74 -1.08 0.00 0.00 178.44 178.87 1y9x h THR 28 N 1.10 1.24 -0.20 0.22 2.02 -0.63 -2.69 112.91 113.97 1y9x h THR 28 Ca 0.25 -1.08 -0.16 0.00 0.77 0.00 0.00 66.41 66.20 1y9x h THR 28 Cb 0.21 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1y9x h THR 28 CO -0.02 0.35 -0.52 -0.07 0.37 0.00 0.00 175.52 175.63 1y9x h LEU 29 N 0.44 0.64 -0.75 2.58 3.38 -0.53 -2.86 115.31 118.21 1y9x h LEU 29 Ca 0.08 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.73 1y9x h LEU 29 Cb 0.54 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1y9x h LEU 29 CO 0.03 1.04 0.49 -0.07 0.09 0.00 0.00 178.44 180.03 1y9x h LEU 30 N 0.45 0.84 -1.77 1.67 3.38 -0.90 -0.47 115.31 118.52 1y9x h LEU 30 Ca 0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1y9x h LEU 30 Cb 1.06 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1y9x h LEU 30 CO 0.10 0.60 -0.15 -1.13 0.09 0.00 0.00 178.44 177.95 1y9x h ASN 31 N 0.99 0.00 0.12 -0.43 -0.73 -1.37 -1.79 115.58 112.37 1y9x h ASN 31 Ca 0.28 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.45 1y9x h ASN 31 Cb -0.08 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.51 1y9x h ASN 31 CO -0.07 0.15 -0.11 0.00 -0.37 0.00 0.00 177.43 177.02 1y9x n GLN 32 N -3.66 1.22 0.00 6.67 6.02 -0.56 -4.91 117.38 122.16 1y9x n GLN 32 Ca -0.02 -0.68 0.00 0.00 -0.01 0.00 0.00 57.00 56.30 1y9x n GLN 32 Cb 0.27 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.04 1y9x n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y9x n GLY 33 N 1.24 1.00 3.53 1.08 0.00 -0.67 -5.06 105.19 106.31 1y9x n GLY 33 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 5.26 -0.19 1.61 1.01 -0.29 -4.92 120.40 120.87 1y9x s VAL 34 Ca 0.00 -0.16 0.16 0.00 0.00 0.00 0.00 61.98 61.97 1y9x s VAL 34 Cb 0.00 -3.75 -0.23 0.00 0.00 0.00 0.00 36.38 32.41 1y9x s VAL 34 CO 0.00 -0.04 0.05 -1.20 0.00 0.00 0.00 175.10 173.91 1y9x n SER 35 N 5.17 0.44 -4.19 3.32 7.64 -1.26 -3.43 113.62 121.31 1y9x n SER 35 Ca -0.12 -0.01 -0.37 0.00 1.01 0.00 0.00 58.87 59.39 1y9x n SER 35 Cb 0.50 0.88 -0.12 0.00 -1.01 0.00 0.00 64.21 64.46 1y9x n SER 35 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1y9x s GLU 36 N -2.46 2.35 0.19 1.43 4.04 -1.26 -0.29 118.70 122.70 1y9x s GLU 36 Ca -0.11 -1.47 0.10 0.00 0.04 0.00 0.00 54.97 53.54 1y9x s GLU 36 Cb 0.06 -3.46 -0.04 0.00 0.02 0.00 0.00 34.13 30.70 1y9x s GLU 36 CO 0.76 -0.83 -0.17 0.96 -1.84 0.00 0.00 175.26 174.14 1y9x s ILE 37 N 1.27 2.75 -0.16 1.83 -0.00 -1.19 -4.94 121.20 120.75 1y9x s ILE 37 Ca 0.01 -1.87 0.01 0.00 -0.00 0.00 0.00 60.65 58.80 1y9x s ILE 37 Cb -0.21 -2.35 0.02 0.00 -0.00 0.00 0.00 42.46 39.92 1y9x s ILE 37 CO -0.01 -0.12 -0.18 -0.69 -0.00 0.00 0.00 174.94 173.94 1y9x s VAL 38 N -1.72 1.88 -0.27 8.37 1.01 0.44 -2.62 120.40 127.49 1y9x s VAL 38 Ca 0.23 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.24 1y9x s VAL 38 Cb -0.08 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1y9x s VAL 38 CO 0.12 0.51 0.32 -0.63 0.00 0.00 0.00 175.10 175.43 1y9x s ILE 39 N 1.30 5.21 -0.23 2.22 1.01 -0.02 -2.09 121.20 128.61 1y9x s ILE 39 Ca 0.04 0.47 -0.06 0.00 0.00 0.00 0.00 60.65 61.10 1y9x s ILE 39 Cb -0.13 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 1y9x s ILE 39 CO -0.11 0.19 0.02 -0.54 0.00 0.00 0.00 174.94 174.51 1y9x s LYS 40 N 1.91 3.57 -0.04 2.79 1.02 -0.38 -1.08 119.74 127.54 1y9x s LYS 40 Ca 0.13 -0.53 0.07 0.00 0.02 0.00 0.00 55.97 55.67 1y9x s LYS 40 Cb -0.16 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 33.96 1y9x s LYS 40 CO 0.10 -0.14 -0.25 0.00 -0.92 0.00 0.00 175.35 174.14 1y9x s ALA 41 N 1.41 2.19 -0.06 5.17 0.00 -0.53 -0.82 121.76 129.12 1y9x s ALA 41 Ca 0.05 -1.09 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 1y9x s ALA 41 Cb -0.15 -0.62 0.03 0.00 0.00 0.00 0.00 23.12 22.38 1y9x s ALA 41 CO 0.01 0.49 0.02 0.50 0.00 0.00 0.00 175.76 176.78 1y9x s ARG 42 N -0.44 0.37 0.00 0.00 3.00 -1.26 -1.52 118.95 119.10 1y9x s ARG 42 Ca 0.05 0.20 0.00 0.00 -1.00 0.00 0.00 55.73 54.98 1y9x s ARG 42 Cb -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 34.95 34.03 1y9x s ARG 42 CO 0.01 -0.31 0.00 0.41 0.00 0.00 0.00 175.30 175.41 1y9x n GLY 43 N 5.19 -0.06 4.43 8.12 0.00 -0.71 -4.47 105.19 117.68 1y9x n GLY 43 Ca -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1y9x n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y9x n ARG 44 N -0.42 0.00 0.00 1.61 1.74 -1.26 -4.73 116.66 113.60 1y9x n ARG 44 Ca 0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 1y9x n ARG 44 Cb 0.11 -2.72 0.27 0.00 -1.02 0.00 0.00 32.46 29.10 1y9x n ARG 44 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1y9x n ALA 45 N 0.60 2.27 -0.27 7.54 0.00 -1.26 -3.42 120.51 125.97 1y9x n ALA 45 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.44 1y9x n ALA 45 Cb 0.00 -1.15 0.29 0.00 0.00 0.00 0.00 19.45 18.59 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 1.01 0.00 0.00 2.04 -1.86 -0.15 117.51 118.55 1y9x h ILE 46 Ca 0.00 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 1y9x h ILE 46 Cb 0.00 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 1y9x h ILE 46 CO 0.00 0.17 -0.18 0.77 0.00 0.00 0.00 178.15 178.90 1y9x h SER 47 N 0.91 0.00 0.65 1.72 4.64 -1.98 -2.68 113.55 116.81 1y9x h SER 47 Ca 0.39 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.44 1y9x h SER 47 Cb 0.32 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.36 1y9x h SER 47 CO -0.15 0.18 -1.48 0.50 -0.87 0.00 0.00 176.83 175.01 1y9x h LYS 48 N 0.00 0.00 -0.55 4.77 3.64 -1.31 -3.05 116.57 120.07 1y9x h LYS 48 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1y9x h LYS 48 Cb 0.52 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1y9x h LYS 48 CO 0.02 0.65 0.16 0.00 -2.27 0.00 0.00 179.45 178.01 1y9x h ALA 49 N 1.00 0.72 -0.37 5.00 0.00 -1.05 -0.24 119.26 124.32 1y9x h ALA 49 Ca -0.20 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 1y9x h ALA 49 Cb 1.93 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1y9x h ALA 49 CO 0.09 0.40 -0.34 -0.24 0.00 0.00 0.00 179.25 179.16 1y9x h VAL 50 N 0.77 1.28 -0.64 0.00 3.04 -1.62 -2.56 116.25 116.52 1y9x h VAL 50 Ca 0.17 -1.51 0.04 0.00 -1.01 0.00 0.00 66.70 64.40 1y9x h VAL 50 Cb 0.30 1.41 -0.05 0.00 -2.01 0.00 0.00 31.29 30.95 1y9x h VAL 50 CO -0.00 0.50 0.37 -0.78 -1.01 0.00 0.00 177.57 176.65 1y9x h ASP 51 N 0.69 0.57 -0.00 3.17 1.82 -1.38 0.69 116.42 121.98 1y9x h ASP 51 Ca 0.06 0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.73 1y9x h ASP 51 Cb 0.93 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.82 1y9x h ASP 51 CO 0.09 0.38 -0.08 0.74 -1.61 0.00 0.00 179.24 178.76 1y9x h THR 52 N 0.70 0.80 -0.09 2.25 2.02 -0.94 -1.63 112.91 116.01 1y9x h THR 52 Ca 0.27 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.33 1y9x h THR 52 Cb 0.11 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1y9x h THR 52 CO -0.14 0.00 -0.47 -0.37 0.37 0.00 0.00 175.52 174.91 1y9x h VAL 53 N -0.13 1.33 -0.52 3.16 -1.51 -1.00 -2.00 116.25 115.59 1y9x h VAL 53 Ca 0.03 -1.66 -0.04 0.00 -1.23 0.00 0.00 66.70 63.80 1y9x h VAL 53 Cb 0.17 1.79 -0.02 0.00 -2.13 0.00 0.00 31.29 31.10 1y9x h VAL 53 CO -0.08 0.49 0.14 -0.33 -1.23 0.00 0.00 177.57 176.56 1y9x h GLU 54 N 0.18 0.78 -0.17 5.19 5.08 -0.56 -1.45 114.58 123.63 1y9x h GLU 54 Ca 0.01 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1y9x h GLU 54 Cb 0.90 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1y9x h GLU 54 CO 0.07 0.69 -0.05 0.82 -1.00 0.00 0.00 179.01 179.54 1y9x h ILE 55 N 0.76 1.29 -0.84 3.13 2.04 -0.91 -3.09 117.51 119.89 1y9x h ILE 55 Ca 0.17 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 65.01 1y9x h ILE 55 Cb 0.25 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1y9x h ILE 55 CO -0.01 0.31 0.56 0.58 0.00 0.00 0.00 178.15 179.59 1y9x h VAL 56 N 0.03 1.20 -0.37 1.67 2.07 -1.09 0.13 116.25 119.89 1y9x h VAL 56 Ca 0.04 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1y9x h VAL 56 Cb 0.50 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1y9x h VAL 56 CO 0.02 0.20 0.00 -2.11 0.02 0.00 0.00 177.57 175.70 1y9x n ARG 57 N -4.42 3.04 0.00 1.57 1.85 -0.57 -3.47 116.66 114.67 1y9x n ARG 57 Ca 0.10 -1.82 0.00 0.00 -1.00 0.00 0.00 57.85 55.13 1y9x n ARG 57 Cb 0.04 -1.82 0.00 0.00 -1.05 0.00 0.00 32.46 29.63 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 0.47 1.15 -0.06 2.89 5.15 -0.75 -4.13 115.26 119.98 1y9x n ASN 58 Ca 0.16 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.11 1y9x n ASN 58 Cb 0.72 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.96 1y9x n ASN 58 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1y9x h ARG 59 N 0.00 0.00 0.27 1.20 2.43 -0.92 -3.40 114.38 113.95 1y9x h ARG 59 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1y9x h ARG 59 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1y9x h ARG 59 CO 0.00 0.00 -0.13 0.35 -1.51 0.00 0.00 179.97 178.68 1y9x h PHE 60 N -0.96 -0.34 -2.11 2.20 3.57 -1.72 -3.44 116.94 114.14 1y9x h PHE 60 Ca 0.00 -0.01 -0.29 0.00 3.53 0.00 0.00 57.97 61.20 1y9x h PHE 60 Cb 0.33 0.11 -0.33 0.00 2.79 0.00 0.00 35.95 38.86 1y9x h PHE 60 CO -0.14 -0.09 -0.60 -1.17 -2.23 0.00 0.00 178.31 174.07 1y9x s LEU 61 N -8.99 -0.34 -0.02 0.59 2.96 -1.23 -4.99 118.68 106.67 1y9x s LEU 61 Ca -0.08 -0.53 0.17 0.00 -0.22 0.00 0.00 54.13 53.47 1y9x s LEU 61 Cb 0.01 0.64 -0.20 0.00 0.50 0.00 0.00 46.19 47.13 1y9x s LEU 61 CO 0.28 -0.37 0.59 0.00 -1.32 0.00 0.00 176.35 175.54 1y9x n ALA 62 N 5.32 1.85 0.02 5.97 0.00 -1.26 -4.41 120.51 128.00 1y9x n ALA 62 Ca -0.02 -0.75 -0.13 0.00 0.00 0.00 0.00 53.44 52.54 1y9x n ALA 62 Cb 0.48 -0.75 -0.08 0.00 0.00 0.00 0.00 19.45 19.09 1y9x n ALA 62 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1y9x h ASP 63 N 0.00 -0.02 -3.42 0.00 3.32 -1.94 -3.40 116.42 110.96 1y9x h ASP 63 Ca -0.25 -0.24 -0.72 0.00 0.02 0.00 0.00 57.03 55.83 1y9x h ASP 63 Cb 1.75 0.01 -0.25 0.00 0.22 0.00 0.00 39.33 41.05 1y9x h ASP 63 CO 0.04 0.23 -0.42 -0.54 -1.72 0.00 0.00 179.24 176.83 1y9x s LYS 64 N -5.18 2.78 -0.28 3.56 -0.14 -1.26 -5.01 119.74 114.20 1y9x s LYS 64 Ca -0.15 -1.36 -0.14 0.00 -1.36 0.00 0.00 55.97 52.96 1y9x s LYS 64 Cb 0.04 -3.91 0.09 0.00 -1.68 0.00 0.00 37.83 32.37 1y9x s LYS 64 CO 0.66 -0.94 0.67 -1.50 -0.76 0.00 0.00 175.35 173.48 1y9x s ILE 65 N 1.53 -0.28 0.05 2.17 1.10 -1.26 -4.61 121.20 119.90 1y9x s ILE 65 Ca 0.03 0.00 0.03 0.00 -0.51 0.00 0.00 60.65 60.21 1y9x s ILE 65 Cb -0.23 -0.99 -0.03 0.00 0.15 0.00 0.00 42.46 41.37 1y9x s ILE 65 CO 0.05 0.00 -0.10 -0.70 -2.11 0.00 0.00 174.94 172.07 1y9x s GLU 66 N 1.99 0.65 -0.13 3.50 2.56 -0.93 -5.03 118.70 121.31 1y9x s GLU 66 Ca -0.09 -0.82 -0.04 0.00 0.00 0.00 0.00 54.97 54.02 1y9x s GLU 66 Cb -0.07 -0.52 -0.03 0.00 2.00 0.00 0.00 34.13 35.51 1y9x s GLU 66 CO -0.20 0.11 0.02 0.42 -0.56 0.00 0.00 175.26 175.06 1y9x s ILE 67 N -1.29 4.48 -0.14 -3.70 1.01 -1.26 0.12 121.20 120.42 1y9x s ILE 67 Ca -0.06 -0.16 -0.09 0.00 0.00 0.00 0.00 60.65 60.33 1y9x s ILE 67 Cb -0.10 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 1y9x s ILE 67 CO 0.01 0.54 -0.18 0.29 0.00 0.00 0.00 174.94 175.59 1y9x n LYS 68 N 2.86 0.44 -3.64 2.79 5.02 -0.15 -4.89 118.16 120.59 1y9x n LYS 68 Ca -0.18 0.49 -0.15 0.00 -2.02 0.00 0.00 58.31 56.45 1y9x n LYS 68 Cb 0.53 -1.64 -0.07 0.00 -0.02 0.00 0.00 35.03 33.83 1y9x n LYS 68 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1y9x s GLU 69 N -2.25 0.84 -0.17 1.97 2.56 -1.11 -5.05 118.70 115.49 1y9x s GLU 69 Ca -0.15 0.22 -0.03 0.00 0.00 0.00 0.00 54.97 55.00 1y9x s GLU 69 Cb 0.02 0.39 0.06 0.00 2.00 0.00 0.00 34.13 36.60 1y9x s GLU 69 CO 0.23 -0.23 0.05 0.42 -0.56 0.00 0.00 175.26 175.17 1y9x s ILE 70 N -0.93 0.31 -0.09 -3.70 1.01 -1.26 -1.60 121.20 114.95 1y9x s ILE 70 Ca -0.10 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.21 1y9x s ILE 70 Cb -0.03 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.59 1y9x s ILE 70 CO 0.06 -0.19 -0.13 -0.13 0.00 0.00 0.00 174.94 174.56 1y9x s ARG 71 N 1.96 2.94 -0.02 2.79 0.52 -0.71 -4.96 118.95 121.47 1y9x s ARG 71 Ca 0.01 -0.68 0.01 0.00 -0.52 0.00 0.00 55.73 54.55 1y9x s ARG 71 Cb -0.16 -2.52 0.01 0.00 0.52 0.00 0.00 34.95 32.80 1y9x s ARG 71 CO -0.08 0.43 -0.03 0.54 0.02 0.00 0.00 175.30 176.19 1y9x s VAL 72 N -0.23 0.31 -0.03 3.52 0.11 -1.26 -0.11 120.40 122.71 1y9x s VAL 72 Ca 0.01 -0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 58.71 1y9x s VAL 72 Cb -0.13 -0.34 0.10 0.00 -1.53 0.00 0.00 36.38 34.48 1y9x s VAL 72 CO 0.03 0.14 1.31 -0.83 -3.33 0.00 0.00 175.10 172.42 1y9x s GLY 73 N 0.58 -0.15 -0.14 6.54 0.00 0.03 -5.00 107.32 109.17 1y9x s GLY 73 Ca -0.06 0.08 -0.29 0.00 0.00 0.00 0.00 44.72 44.45 1y9x s GLY 73 CO -0.01 5.73 0.99 -0.56 0.00 0.00 0.00 173.10 179.25 1y9x s SER 74 N -3.82 7.17 -0.30 1.64 0.01 -1.26 -0.36 113.70 116.78 1y9x s SER 74 Ca 0.30 1.44 -0.21 0.00 1.31 0.00 0.00 55.95 58.79 1y9x s SER 74 Cb -0.00 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 1y9x s SER 74 CO -0.01 -0.48 0.68 -1.58 0.41 0.00 0.00 173.24 172.26 1y9x s GLN 75 N 2.27 3.94 -0.39 12.44 0.74 0.12 -4.85 119.66 133.93 1y9x s GLN 75 Ca 0.46 0.42 -0.12 0.00 0.05 0.00 0.00 55.36 56.17 1y9x s GLN 75 Cb -0.17 -3.72 0.04 0.00 1.10 0.00 0.00 33.01 30.25 1y9x s GLN 75 CO 0.15 -0.59 0.24 0.08 -0.55 0.00 0.00 175.29 174.61 1y9x s VAL 76 N 2.72 4.66 0.04 1.34 1.01 -1.26 -0.94 120.40 127.96 1y9x s VAL 76 Ca 0.28 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1y9x s VAL 76 Cb -0.15 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1y9x s VAL 76 CO 0.12 -0.32 -0.12 0.68 0.00 0.00 0.00 175.10 175.45 1y9x s VAL 77 N 1.56 0.97 -0.10 2.92 -7.23 -0.15 -4.95 120.40 113.42 1y9x s VAL 77 Ca 0.03 -0.94 -0.26 0.00 -1.81 0.00 0.00 61.98 59.00 1y9x s VAL 77 Cb -0.20 -0.89 -0.02 0.00 0.56 0.00 0.00 36.38 35.82 1y9x s VAL 77 CO 0.06 -0.04 0.84 0.42 -0.31 0.00 0.00 175.10 176.07 1y9x s THR 78 N -0.85 4.92 0.12 5.32 -4.23 -1.26 0.37 115.64 120.03 1y9x s THR 78 Ca 0.00 1.70 -0.26 0.00 -1.18 0.00 0.00 61.69 61.95 1y9x s THR 78 Cb -0.08 -4.16 -0.05 0.00 1.34 0.00 0.00 72.50 69.56 1y9x s THR 78 CO 0.01 0.12 1.63 0.28 -0.54 0.00 0.00 174.62 176.13 1y9x h SER 79 N 7.02 -0.77 0.00 3.99 0.02 -1.29 -3.46 113.55 119.06 1y9x h SER 79 Ca -0.36 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1y9x h SER 79 Cb 1.17 0.32 0.00 0.00 0.14 0.00 0.00 62.40 64.03 1y9x h SER 79 CO 0.79 -0.32 0.00 0.00 -1.14 0.00 0.00 176.83 176.16 1y9x n GLN 80 N -5.37 0.00 0.00 3.45 10.64 -1.26 -5.04 117.38 119.79 1y9x n GLN 80 Ca -0.05 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.12 1y9x n GLN 80 Cb 0.29 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.67 1y9x n GLN 80 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1y9x n ASP 81 N -3.10 0.00 -1.21 2.61 9.92 -1.26 -4.92 116.55 118.58 1y9x n ASP 81 Ca 0.00 0.01 -0.02 0.00 -0.53 0.00 0.00 54.79 54.25 1y9x n ASP 81 Cb 0.00 -0.02 -0.03 0.00 -0.64 0.00 0.00 41.12 40.43 1y9x n ASP 81 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1y9x n GLY 82 N 2.47 0.73 3.45 0.44 0.00 -1.26 -5.06 105.19 105.97 1y9x n GLY 82 Ca 0.00 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 3.14 -0.38 1.61 3.52 -1.26 -4.97 118.95 120.61 1y9x s ARG 83 Ca 0.15 -0.83 -0.28 0.00 -0.13 0.00 0.00 55.73 54.63 1y9x s ARG 83 Cb 0.17 -4.09 -0.01 0.00 -1.56 0.00 0.00 34.95 29.46 1y9x s ARG 83 CO -0.08 -1.23 1.67 -0.65 -0.81 0.00 0.00 175.30 174.20 1y9x s GLN 84 N 2.72 3.37 -0.42 5.12 -1.52 -1.26 -0.70 119.66 126.97 1y9x s GLN 84 Ca 0.16 1.20 -0.15 0.00 -1.95 0.00 0.00 55.36 54.62 1y9x s GLN 84 Cb -0.19 -4.15 0.03 0.00 -0.22 0.00 0.00 33.01 28.48 1y9x s GLN 84 CO 0.13 -1.82 0.31 -1.12 -0.25 0.00 0.00 175.29 172.53 1y9x s SER 85 N 5.49 6.09 -0.30 5.90 0.01 0.16 -4.94 113.70 126.10 1y9x s SER 85 Ca 0.72 -0.97 -0.11 0.00 1.31 0.00 0.00 55.95 56.90 1y9x s SER 85 Cb -0.19 -2.15 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 1y9x s SER 85 CO 0.32 -0.47 0.18 -0.13 0.41 0.00 0.00 173.24 173.55 1y9x s ARG 86 N 1.66 3.67 -0.05 12.44 0.52 -1.25 -0.98 118.95 134.96 1y9x s ARG 86 Ca 0.05 -0.51 0.05 0.00 -0.52 0.00 0.00 55.73 54.80 1y9x s ARG 86 Cb -0.20 -3.64 -0.00 0.00 0.52 0.00 0.00 34.95 31.63 1y9x s ARG 86 CO 0.09 -0.30 -0.19 0.08 0.02 0.00 0.00 175.30 175.00 1y9x s VAL 87 N 1.70 1.59 0.01 3.52 1.01 -0.12 -4.87 120.40 123.25 1y9x s VAL 87 Ca 0.06 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 1y9x s VAL 87 Cb -0.16 -1.36 -0.08 0.00 0.00 0.00 0.00 36.38 34.78 1y9x s VAL 87 CO 0.09 0.45 1.83 -0.44 0.00 0.00 0.00 175.10 177.03 1y9x s SER 88 N 0.01 6.54 0.11 3.32 0.01 -1.26 0.15 113.70 122.57 1y9x s SER 88 Ca -0.04 2.51 0.07 0.00 1.31 0.00 0.00 55.95 59.80 1y9x s SER 88 Cb -0.12 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 1y9x s SER 88 CO 0.03 -1.00 -0.17 0.42 0.41 0.00 0.00 173.24 172.93 1y9x s THR 89 N 4.11 1.52 -0.04 1.44 -4.23 0.51 -1.74 115.64 117.22 1y9x s THR 89 Ca 0.82 -1.60 -0.05 0.00 -1.18 0.00 0.00 61.69 59.67 1y9x s THR 89 Cb -0.39 -1.50 0.01 0.00 1.34 0.00 0.00 72.50 71.95 1y9x s THR 89 CO 0.36 -0.22 0.13 -0.51 -0.54 0.00 0.00 174.62 173.84 1y9x s ILE 90 N -1.57 0.02 -0.15 2.99 2.07 -0.58 -0.79 121.20 123.19 1y9x s ILE 90 Ca 0.07 -0.16 0.01 0.00 -1.41 0.00 0.00 60.65 59.15 1y9x s ILE 90 Cb -0.08 -0.24 0.02 0.00 0.13 0.00 0.00 42.46 42.29 1y9x s ILE 90 CO 0.04 -0.09 -0.16 -1.61 -1.91 0.00 0.00 174.94 171.21 1y9x s GLU 91 N -0.25 2.46 -0.30 3.50 2.02 0.85 -1.45 118.70 125.52 1y9x s GLU 91 Ca -0.03 -0.63 -0.03 0.00 0.02 0.00 0.00 54.97 54.30 1y9x s GLU 91 Cb -0.03 -2.18 0.04 0.00 0.10 0.00 0.00 34.13 32.06 1y9x s GLU 91 CO 0.00 -0.19 0.02 0.42 0.02 0.00 0.00 175.26 175.53 1y9x s ILE 92 N 1.33 3.23 -0.24 -1.63 1.01 -0.25 -1.74 121.20 122.92 1y9x s ILE 92 Ca 0.02 -1.18 -0.03 0.00 0.00 0.00 0.00 60.65 59.46 1y9x s ILE 92 Cb -0.13 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.56 1y9x s ILE 92 CO -0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 174.94 174.78 1y9x s ALA 93 N 1.33 2.80 0.39 9.38 0.00 -0.63 -0.84 121.76 134.18 1y9x s ALA 93 Ca -0.03 -1.34 0.08 0.00 0.00 0.00 0.00 51.96 50.68 1y9x s ALA 93 Cb -0.19 -1.76 -0.07 0.00 0.00 0.00 0.00 23.12 21.10 1y9x s ALA 93 CO -0.01 -0.67 -0.01 0.96 0.00 0.00 0.00 175.76 176.04 1y9x s ILE 94 N 1.42 2.14 -0.16 0.00 -4.36 -1.08 -0.98 121.20 118.19 1y9x s ILE 94 Ca 0.03 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 1y9x s ILE 94 Cb -0.16 -2.88 0.03 0.00 1.25 0.00 0.00 42.46 40.70 1y9x s ILE 94 CO -0.03 -0.07 -0.12 -0.60 0.24 0.00 0.00 174.94 174.35 1y9x s ARG 95 N -3.70 2.12 -1.01 0.37 3.52 0.12 -3.19 118.95 117.18 1y9x s ARG 95 Ca 0.35 -0.58 -0.05 0.00 -0.13 0.00 0.00 55.73 55.32 1y9x s ARG 95 Cb 0.07 -2.11 0.26 0.00 -1.56 0.00 0.00 34.95 31.60 1y9x s ARG 95 CO 0.18 -0.29 1.00 1.63 -0.81 0.00 0.00 175.30 177.02 1y9x n LYS 96 N 4.78 3.23 0.00 5.12 4.76 0.60 -2.19 118.16 134.46 1y9x n LYS 96 Ca -0.16 -4.49 0.00 0.00 -2.87 0.00 0.00 58.31 50.80 1y9x n LYS 96 Cb 0.49 -2.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.20 1y9x n LYS 96 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39