#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 -4.65 -3.95 7.83 7.64 -1.26 -4.91 113.62 114.31 1y9x n SER 2 Ca 0.00 0.41 -0.22 0.00 1.01 0.00 0.00 58.87 60.06 1y9x n SER 2 Cb 0.00 -4.17 -0.08 0.00 -1.01 0.00 0.00 64.21 58.95 1y9x n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1y9x s SER 3 N -2.45 2.22 0.00 6.43 0.15 -1.26 -5.10 113.70 113.68 1y9x s SER 3 Ca 0.00 -1.65 0.00 0.00 0.70 0.00 0.00 55.95 55.00 1y9x s SER 3 Cb 0.00 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1y9x s SER 3 CO 0.00 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.12 1y9x n GLY 4 N -0.76 -0.91 2.27 9.45 0.00 -1.26 -5.14 105.19 108.84 1y9x n GLY 4 Ca -0.01 0.65 -0.03 0.00 0.00 0.00 0.00 46.02 46.63 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 0.00 -9.59 -2.08 2.61 -1.04 -1.26 -4.94 114.28 97.98 1y9x n THR 5 Ca 0.00 1.76 -0.42 0.00 -2.04 0.00 0.00 64.05 63.35 1y9x n THR 5 Cb 0.00 -5.71 -0.03 0.00 -1.82 0.00 0.00 70.33 62.77 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 -0.86 4.26 0.03 -2.82 0.02 -1.26 -5.01 135.00 129.36 1y9x s PRO 6 Ca -0.15 2.16 -0.26 0.00 0.02 0.00 0.00 61.00 62.77 1y9x s PRO 6 Cb 0.01 -3.43 -0.05 0.00 0.02 0.00 0.00 34.50 31.05 1y9x s PRO 6 CO 0.55 -0.59 0.80 0.95 -0.33 0.00 0.00 177.00 178.38 1y9x s THR 7 N 1.91 4.76 -0.44 0.99 -4.23 -1.26 -4.98 115.64 112.38 1y9x s THR 7 Ca 0.68 1.69 -0.27 0.00 -1.18 0.00 0.00 61.69 62.61 1y9x s THR 7 Cb -0.37 -4.14 -0.04 0.00 1.34 0.00 0.00 72.50 69.28 1y9x s THR 7 CO 0.30 0.33 2.07 -2.16 -0.54 0.00 0.00 174.62 174.62 1y9x s PRO 8 N 0.15 2.72 -0.11 3.99 0.04 -1.26 -4.81 135.00 135.72 1y9x s PRO 8 Ca 0.40 1.28 0.18 0.00 0.04 0.00 0.00 61.00 62.90 1y9x s PRO 8 Cb -0.20 -4.40 -0.25 0.00 0.04 0.00 0.00 34.50 29.69 1y9x s PRO 8 CO 0.23 -2.59 0.33 0.43 0.04 0.00 0.00 177.00 175.45 1y9x n SER 9 N 12.95 0.24 -0.02 6.66 7.64 -1.26 -4.54 113.62 135.30 1y9x n SER 9 Ca 0.27 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.26 1y9x n SER 9 Cb 0.51 0.92 0.00 0.00 -1.01 0.00 0.00 64.21 64.63 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 -2.72 0.72 -4.26 6.43 0.23 -1.26 -5.03 115.26 109.38 1y9x n ASN 10 Ca -0.22 -1.41 -0.34 0.00 -0.53 0.00 0.00 54.58 52.08 1y9x n ASN 10 Cb 0.99 -0.01 -0.15 0.00 -2.08 0.00 0.00 39.78 38.53 1y9x n ASN 10 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1y9x s VAL 11 N -0.39 2.84 0.21 3.53 1.01 -1.26 -0.97 120.40 125.37 1y9x s VAL 11 Ca 0.01 -0.69 0.09 0.00 0.00 0.00 0.00 61.98 61.39 1y9x s VAL 11 Cb 0.01 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1y9x s VAL 11 CO 0.00 0.48 -0.05 0.68 0.00 0.00 0.00 175.10 176.21 1y9x s VAL 12 N 1.17 3.33 -0.08 2.92 -7.23 0.02 -4.83 120.40 115.70 1y9x s VAL 12 Ca 0.01 -1.74 0.04 0.00 -1.81 0.00 0.00 61.98 58.48 1y9x s VAL 12 Cb -0.14 -2.70 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 1y9x s VAL 12 CO -0.04 -0.21 -0.20 -0.22 -0.31 0.00 0.00 175.10 174.12 1y9x s LEU 13 N -3.16 2.36 -0.41 1.32 2.96 -1.26 -1.00 118.68 119.49 1y9x s LEU 13 Ca 0.28 -0.42 -0.26 0.00 -0.22 0.00 0.00 54.13 53.50 1y9x s LEU 13 Cb -0.08 -1.47 0.02 0.00 0.50 0.00 0.00 46.19 45.16 1y9x s LEU 13 CO 0.17 0.22 0.97 -0.63 -1.32 0.00 0.00 176.35 175.77 1y9x s ILE 14 N -0.01 4.48 0.00 6.68 -1.09 -0.82 -4.98 121.20 125.46 1y9x s ILE 14 Ca -0.06 1.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.46 1y9x s ILE 14 Cb -0.15 -4.41 0.00 0.00 -1.58 0.00 0.00 42.46 36.32 1y9x s ILE 14 CO 0.05 -0.70 0.00 0.61 -1.23 0.00 0.00 174.94 173.67 1y9x n GLY 15 N 4.58 4.70 0.81 6.18 0.00 -1.26 -4.60 105.19 115.60 1y9x n GLY 15 Ca 0.08 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1y9x n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1y9x n LYS 16 N 0.00 0.88 -3.92 1.61 0.00 -1.26 -4.83 118.16 110.65 1y9x n LYS 16 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 1y9x n LYS 16 Cb 0.00 -1.20 -0.04 0.00 -0.00 0.00 0.00 35.03 33.79 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 -0.30 3.44 0.66 -1.58 1.02 -1.26 -5.08 119.74 116.64 1y9x s LYS 17 Ca 0.00 -0.45 -0.18 0.00 0.02 0.00 0.00 55.97 55.36 1y9x s LYS 17 Cb 0.00 -3.03 -0.00 0.00 -0.52 0.00 0.00 37.83 34.28 1y9x s LYS 17 CO 0.00 0.60 1.28 -1.25 -0.92 0.00 0.00 175.35 175.06 1y9x s PRO 18 N -2.60 2.50 0.31 -1.68 0.04 -1.26 -4.92 135.00 127.39 1y9x s PRO 18 Ca 0.35 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.41 1y9x s PRO 18 Cb -0.13 -1.85 0.53 0.00 0.04 0.00 0.00 34.50 33.10 1y9x s PRO 18 CO 0.28 -1.62 1.93 -0.24 0.04 0.00 0.00 177.00 177.39 1y9x h VAL 19 N 0.44 1.09 -0.00 -0.36 3.04 -1.96 -1.96 116.25 116.53 1y9x h VAL 19 Ca -0.50 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 64.84 1y9x h VAL 19 Cb 1.33 -0.02 -0.00 0.00 -2.01 0.00 0.00 31.29 30.59 1y9x h VAL 19 CO 0.53 0.19 0.00 0.00 -1.01 0.00 0.00 177.57 177.27 1y9x h MET 20 N 1.02 0.00 -0.11 4.17 -0.00 -1.99 -1.11 114.93 116.91 1y9x h MET 20 Ca 0.37 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.96 1y9x h MET 20 Cb 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.73 1y9x h MET 20 CO -0.13 0.00 -0.40 -0.97 -0.00 0.00 0.00 176.91 175.41 1y9x h ASN 21 N 0.00 0.25 0.56 -0.10 -1.24 -1.72 -2.63 115.58 110.70 1y9x h ASN 21 Ca 0.00 -0.10 -0.29 0.00 0.71 0.00 0.00 56.30 56.62 1y9x h ASN 21 Cb 0.00 -0.07 0.01 0.00 0.73 0.00 0.00 38.32 38.99 1y9x h ASN 21 CO -0.00 0.63 -1.29 1.88 -1.29 0.00 0.00 177.43 177.36 1y9x h TYR 22 N 0.20 0.58 0.22 0.67 0.05 -1.32 -2.58 116.97 114.79 1y9x h TYR 22 Ca 0.02 -0.43 -0.01 0.00 0.05 0.00 0.00 58.73 58.37 1y9x h TYR 22 Cb 0.81 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.52 1y9x h TYR 22 CO 0.01 1.33 -0.14 0.28 -1.05 0.00 0.00 178.16 178.60 1y9x h VAL 23 N 0.09 0.70 -0.11 -2.88 2.07 -1.34 -1.19 116.25 113.58 1y9x h VAL 23 Ca -0.16 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1y9x h VAL 23 Cb 2.01 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1y9x h VAL 23 CO 0.22 0.00 -0.23 -0.07 0.02 0.00 0.00 177.57 177.50 1y9x h LEU 24 N -0.35 0.19 -0.36 2.57 4.07 -1.56 -2.24 115.31 117.62 1y9x h LEU 24 Ca -0.02 -0.05 -0.04 0.00 0.08 0.00 0.00 57.88 57.85 1y9x h LEU 24 Cb 0.30 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1y9x h LEU 24 CO 0.01 0.43 0.06 0.00 -1.08 0.00 0.00 178.44 177.87 1y9x h ALA 25 N 1.59 0.47 -0.65 1.53 0.00 -1.07 -1.26 119.26 119.87 1y9x h ALA 25 Ca 0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1y9x h ALA 25 Cb 0.52 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1y9x h ALA 25 CO 0.04 0.17 0.26 0.00 0.00 0.00 0.00 179.25 179.72 1y9x h ALA 26 N 0.91 0.85 -0.52 0.00 0.00 -0.95 -2.10 119.26 117.43 1y9x h ALA 26 Ca 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1y9x h ALA 26 Cb 0.35 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1y9x h ALA 26 CO 0.01 0.46 0.28 -0.07 0.00 0.00 0.00 179.25 179.93 1y9x h LEU 27 N 0.92 0.64 -0.59 0.00 3.38 -1.19 -1.83 115.31 116.63 1y9x h LEU 27 Ca 0.22 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 1y9x h LEU 27 Cb 0.20 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1y9x h LEU 27 CO -0.02 0.52 -0.42 0.74 0.09 0.00 0.00 178.44 179.35 1y9x h THR 28 N 0.73 1.30 -0.16 0.22 2.02 -0.74 -3.04 112.91 113.23 1y9x h THR 28 Ca 0.19 -1.60 -0.10 0.00 0.77 0.00 0.00 66.41 65.66 1y9x h THR 28 Cb 0.03 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1y9x h THR 28 CO -0.03 0.51 -0.34 -0.07 0.37 0.00 0.00 175.52 175.96 1y9x h LEU 29 N 0.52 0.35 -1.02 2.58 3.38 -0.70 -2.70 115.31 117.71 1y9x h LEU 29 Ca 0.04 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1y9x h LEU 29 Cb 0.95 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 1y9x h LEU 29 CO 0.09 0.68 0.66 -0.07 0.09 0.00 0.00 178.44 179.88 1y9x h LEU 30 N 0.29 1.12 -1.23 1.67 3.38 -1.28 -0.15 115.31 119.13 1y9x h LEU 30 Ca 0.03 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1y9x h LEU 30 Cb 0.75 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1y9x h LEU 30 CO 0.06 0.79 -0.35 -1.13 0.09 0.00 0.00 178.44 177.90 1y9x h ASN 31 N 1.31 0.00 0.61 -0.43 -0.73 -1.48 -1.83 115.58 113.03 1y9x h ASN 31 Ca 0.38 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.55 1y9x h ASN 31 Cb -0.09 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.50 1y9x h ASN 31 CO -0.10 0.35 0.00 0.00 -0.37 0.00 0.00 177.43 177.31 1y9x n GLN 32 N -3.81 0.38 -0.02 6.67 6.02 -0.64 -4.87 117.38 121.11 1y9x n GLN 32 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1y9x n GLN 32 Cb 0.43 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.19 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 1.30 0.99 3.39 1.08 0.00 -0.69 -5.04 105.19 106.23 1y9x n GLY 33 Ca 0.14 -0.01 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 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 4.86 -1.26 1.61 1.01 -0.16 -4.84 120.40 119.61 1y9x s VAL 34 Ca 0.00 -1.28 0.26 0.00 0.00 0.00 0.00 61.98 60.96 1y9x s VAL 34 Cb 0.00 -4.58 0.15 0.00 0.00 0.00 0.00 36.38 31.95 1y9x s VAL 34 CO 0.00 -1.25 1.56 -1.54 0.00 0.00 0.00 175.10 173.87 1y9x n SER 35 N 6.20 0.58 -3.82 3.32 3.41 -1.26 -3.75 113.62 118.29 1y9x n SER 35 Ca 0.03 -0.37 -0.28 0.00 -0.26 0.00 0.00 58.87 57.99 1y9x n SER 35 Cb 0.45 0.11 -0.16 0.00 -0.26 0.00 0.00 64.21 64.34 1y9x n SER 35 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1y9x s GLU 36 N -2.82 1.07 0.05 4.33 2.12 -1.26 -0.23 118.70 121.96 1y9x s GLU 36 Ca 0.17 -0.49 0.08 0.00 0.36 0.00 0.00 54.97 55.08 1y9x s GLU 36 Cb 0.18 -2.03 -0.03 0.00 0.26 0.00 0.00 34.13 32.51 1y9x s GLU 36 CO 0.61 -0.53 -0.22 0.96 -0.54 0.00 0.00 175.26 175.54 1y9x s ILE 37 N 1.72 1.79 -0.17 -3.70 -0.00 -1.18 -4.92 121.20 114.74 1y9x s ILE 37 Ca -0.01 -1.26 0.00 0.00 -0.00 0.00 0.00 60.65 59.39 1y9x s ILE 37 Cb -0.16 -1.55 0.01 0.00 -0.00 0.00 0.00 42.46 40.75 1y9x s ILE 37 CO -0.07 0.24 -0.16 -0.69 -0.00 0.00 0.00 174.94 174.26 1y9x s VAL 38 N -0.81 2.47 -0.23 8.37 1.01 -0.14 -2.55 120.40 128.52 1y9x s VAL 38 Ca 0.09 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1y9x s VAL 38 Cb -0.09 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 1y9x s VAL 38 CO 0.02 0.52 0.02 -0.63 0.00 0.00 0.00 175.10 175.03 1y9x s ILE 39 N 1.04 4.01 -0.14 2.22 1.01 0.51 -0.80 121.20 129.06 1y9x s ILE 39 Ca -0.01 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.37 1y9x s ILE 39 Cb -0.15 -2.85 -0.00 0.00 0.01 0.00 0.00 42.46 39.47 1y9x s ILE 39 CO -0.05 0.39 -0.17 -0.54 0.00 0.00 0.00 174.94 174.58 1y9x s LYS 40 N 1.35 3.22 0.24 2.79 1.02 -0.17 -0.62 119.74 127.57 1y9x s LYS 40 Ca 0.05 -0.76 0.11 0.00 0.02 0.00 0.00 55.97 55.39 1y9x s LYS 40 Cb -0.15 -2.56 -0.05 0.00 -0.52 0.00 0.00 37.83 34.56 1y9x s LYS 40 CO 0.02 0.10 -0.18 0.00 -0.92 0.00 0.00 175.35 174.36 1y9x s ALA 41 N 0.60 2.75 0.06 5.17 0.00 -0.49 -1.95 121.76 127.91 1y9x s ALA 41 Ca -0.09 -1.75 0.06 0.00 0.00 0.00 0.00 51.96 50.19 1y9x s ALA 41 Cb -0.16 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1y9x s ALA 41 CO 0.03 0.34 -0.18 1.03 0.00 0.00 0.00 175.76 176.98 1y9x s ARG 42 N -3.21 1.13 7.36 0.00 0.52 -1.26 -1.84 118.95 121.65 1y9x s ARG 42 Ca 0.27 -0.93 0.00 0.00 -0.52 0.00 0.00 55.73 54.55 1y9x s ARG 42 Cb -0.06 -1.23 0.00 0.00 0.52 0.00 0.00 34.95 34.17 1y9x s ARG 42 CO 0.14 0.30 0.00 0.41 0.02 0.00 0.00 175.30 176.17 1y9x n GLY 43 N 1.65 3.17 1.11 -3.53 0.00 0.11 -1.26 105.19 106.43 1y9x n GLY 43 Ca -0.18 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 9.28 2.46 0.00 1.61 1.74 -1.26 -4.10 116.66 126.38 1y9x n ARG 44 Ca 0.00 -2.19 0.15 0.00 -0.77 0.00 0.00 57.85 55.04 1y9x n ARG 44 Cb 0.00 -1.50 0.78 0.00 -1.02 0.00 0.00 32.46 30.71 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 1.43 2.49 -0.36 7.54 0.00 -0.39 -3.55 120.51 127.66 1y9x n ALA 45 Ca 0.18 -0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.55 1y9x n ALA 45 Cb 0.60 -1.48 0.25 0.00 0.00 0.00 0.00 19.45 18.81 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 0.90 0.00 0.00 2.04 -1.73 -0.01 117.51 118.70 1y9x h ILE 46 Ca 0.00 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1y9x h ILE 46 Cb 0.21 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1y9x h ILE 46 CO 0.00 0.18 -0.04 -1.28 0.00 0.00 0.00 178.15 177.01 1y9x h SER 47 N 0.97 0.00 0.61 1.72 0.87 -1.91 -1.97 113.55 113.85 1y9x h SER 47 Ca 0.51 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.79 1y9x h SER 47 Cb 0.53 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.44 1y9x h SER 47 CO -0.28 0.04 -1.54 0.11 -0.53 0.00 0.00 176.83 174.63 1y9x h LYS 48 N 0.00 0.00 -0.42 2.24 1.57 -1.26 -3.01 116.57 115.69 1y9x h LYS 48 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1y9x h LYS 48 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1y9x h LYS 48 CO 0.01 0.60 -0.07 0.00 -0.57 0.00 0.00 179.45 179.42 1y9x h ALA 49 N 1.00 0.58 -0.06 3.86 0.00 -1.04 0.12 119.26 123.72 1y9x h ALA 49 Ca -0.22 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 1y9x h ALA 49 Cb 1.96 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1y9x h ALA 49 CO 0.09 0.43 -0.67 -0.24 0.00 0.00 0.00 179.25 178.85 1y9x h VAL 50 N 0.62 1.40 -0.09 0.00 3.04 -1.62 -2.33 116.25 117.26 1y9x h VAL 50 Ca 0.11 -2.12 -0.01 0.00 -1.01 0.00 0.00 66.70 63.67 1y9x h VAL 50 Cb 0.58 2.10 -0.00 0.00 -2.01 0.00 0.00 31.29 31.96 1y9x h VAL 50 CO 0.03 0.63 0.03 -0.78 -1.01 0.00 0.00 177.57 176.47 1y9x h ASP 51 N 0.19 0.14 -0.17 3.17 1.82 -1.37 -0.66 116.42 119.53 1y9x h ASP 51 Ca -0.02 -0.21 0.04 0.00 -0.39 0.00 0.00 57.03 56.45 1y9x h ASP 51 Cb 1.21 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 41.15 1y9x h ASP 51 CO 0.11 0.31 -0.07 0.74 -1.61 0.00 0.00 179.24 178.72 1y9x h THR 52 N -0.04 0.77 -0.05 2.25 2.02 -0.93 -1.62 112.91 115.31 1y9x h THR 52 Ca 0.03 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.12 1y9x h THR 52 Cb 0.23 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1y9x h THR 52 CO -0.00 0.00 -0.39 -0.37 0.37 0.00 0.00 175.52 175.13 1y9x h VAL 53 N -0.04 1.29 -0.38 3.16 -1.51 -1.34 -2.75 116.25 114.68 1y9x h VAL 53 Ca 0.09 -1.40 -0.12 0.00 -1.23 0.00 0.00 66.70 64.04 1y9x h VAL 53 Cb 0.17 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 31.01 1y9x h VAL 53 CO -0.20 0.41 -0.26 -0.08 -1.23 0.00 0.00 177.57 176.21 1y9x h GLU 54 N 0.09 0.79 -0.69 5.19 4.81 -0.44 -2.04 114.58 122.28 1y9x h GLU 54 Ca 0.01 -0.34 0.03 0.00 -0.13 0.00 0.00 59.36 58.93 1y9x h GLU 54 Cb 0.73 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 1y9x h GLU 54 CO 0.05 0.96 0.43 0.82 -0.73 0.00 0.00 179.01 180.54 1y9x h ILE 55 N 0.68 1.09 -0.26 2.32 2.04 -1.02 -1.96 117.51 120.39 1y9x h ILE 55 Ca 0.09 -0.29 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 1y9x h ILE 55 Cb 0.78 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1y9x h ILE 55 CO 0.06 0.15 -0.21 0.58 0.00 0.00 0.00 178.15 178.74 1y9x h VAL 56 N 0.84 1.31 0.00 1.67 2.07 -1.39 -2.21 116.25 118.54 1y9x h VAL 56 Ca 0.28 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1y9x h VAL 56 Cb 0.02 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1y9x h VAL 56 CO -0.11 0.43 0.00 -2.11 0.02 0.00 0.00 177.57 175.80 1y9x n ARG 57 N -4.37 0.97 0.00 1.57 1.85 -0.78 -2.64 116.66 113.26 1y9x n ARG 57 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 1y9x n ARG 57 Cb 0.42 -1.06 0.00 0.00 -1.05 0.00 0.00 32.46 30.77 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 -0.56 0.41 0.00 2.89 5.15 -0.76 -4.12 115.26 118.27 1y9x n ASN 58 Ca 0.03 -1.17 -0.00 0.00 -0.60 0.00 0.00 54.58 52.84 1y9x n ASN 58 Cb 0.01 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.26 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 -0.08 0.01 -0.00 1.20 0.63 -0.84 -4.91 116.66 112.66 1y9x n ARG 59 Ca 0.00 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1y9x n ARG 59 Cb 0.37 -0.14 -0.00 0.00 0.45 0.00 0.00 32.46 33.14 1y9x n ARG 59 CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 1y9x h PHE 60 N -0.02 -0.00 -3.62 -0.14 -1.00 -1.80 -3.44 116.94 106.92 1y9x h PHE 60 Ca 0.00 -0.00 -0.64 0.00 2.81 0.00 0.00 57.97 60.14 1y9x h PHE 60 Cb 0.02 0.00 -0.39 0.00 3.61 0.00 0.00 35.95 39.18 1y9x h PHE 60 CO -0.01 -0.00 -0.74 -0.51 -1.61 0.00 0.00 178.31 175.44 1y9x s LEU 61 N -4.30 3.91 0.19 1.54 2.01 -1.26 -4.93 118.68 115.84 1y9x s LEU 61 Ca -0.00 -1.85 0.17 0.00 0.01 0.00 0.00 54.13 52.46 1y9x s LEU 61 Cb 0.00 -1.44 -0.01 0.00 0.01 0.00 0.00 46.19 44.75 1y9x s LEU 61 CO 0.00 -0.34 1.15 0.00 1.01 0.00 0.00 176.35 178.17 1y9x h ALA 62 N 7.75 0.66 0.02 4.21 0.00 -1.83 -3.38 119.26 126.69 1y9x h ALA 62 Ca -0.09 -0.54 -0.39 0.00 0.00 0.00 0.00 54.91 53.88 1y9x h ALA 62 Cb 1.03 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1y9x h ALA 62 CO 0.49 0.64 -2.24 -0.25 0.00 0.00 0.00 179.25 177.90 1y9x n ASP 63 N -3.02 1.97 -4.51 0.00 9.92 -1.26 -4.71 116.55 114.94 1y9x n ASP 63 Ca -0.03 0.21 -0.43 0.00 -0.53 0.00 0.00 54.79 54.00 1y9x n ASP 63 Cb 0.75 -0.74 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1y9x n ASP 63 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1y9x s LYS 64 N -2.49 4.00 -0.28 -1.24 1.02 -1.26 -4.86 119.74 114.63 1y9x s LYS 64 Ca -0.34 -2.25 -0.20 0.00 0.02 0.00 0.00 55.97 53.20 1y9x s LYS 64 Cb 0.11 -5.24 0.09 0.00 -0.52 0.00 0.00 37.83 32.26 1y9x s LYS 64 CO 0.57 -1.97 0.76 -1.50 -0.92 0.00 0.00 175.35 172.29 1y9x s ILE 65 N 2.78 0.00 -0.02 2.17 2.07 -1.26 -3.57 121.20 123.36 1y9x s ILE 65 Ca 0.46 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.75 1y9x s ILE 65 Cb -0.00 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 1y9x s ILE 65 CO 0.02 0.00 -0.14 -1.61 -1.91 0.00 0.00 174.94 171.30 1y9x s GLU 66 N 1.03 2.42 -0.20 3.50 2.02 -0.14 -5.00 118.70 122.33 1y9x s GLU 66 Ca -0.05 -0.76 -0.14 0.00 0.02 0.00 0.00 54.97 54.03 1y9x s GLU 66 Cb -0.05 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 1y9x s GLU 66 CO -0.11 0.60 0.33 0.42 0.02 0.00 0.00 175.26 176.53 1y9x s ILE 67 N -0.82 5.25 -0.01 -1.63 1.09 -1.26 0.11 121.20 123.93 1y9x s ILE 67 Ca 0.13 0.58 -0.00 0.00 -1.10 0.00 0.00 60.65 60.26 1y9x s ILE 67 Cb -0.11 -3.67 -0.00 0.00 -1.06 0.00 0.00 42.46 37.63 1y9x s ILE 67 CO 0.03 0.30 -0.00 0.50 -0.10 0.00 0.00 174.94 175.67 1y9x h LYS 68 N 7.20 0.00 -2.05 2.79 3.64 -1.66 -3.47 116.57 123.02 1y9x h LYS 68 Ca -0.38 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.96 1y9x h LYS 68 Cb 1.16 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.77 1y9x h LYS 68 CO 0.72 0.00 0.11 -2.00 -2.27 0.00 0.00 179.45 176.00 1y9x s GLU 69 N -1.09 0.82 -0.16 1.90 2.12 -1.13 -5.04 118.70 116.12 1y9x s GLU 69 Ca -0.00 0.94 -0.00 0.00 0.36 0.00 0.00 54.97 56.26 1y9x s GLU 69 Cb 0.00 0.40 0.04 0.00 0.26 0.00 0.00 34.13 34.83 1y9x s GLU 69 CO 0.01 -0.11 -0.07 0.42 -0.54 0.00 0.00 175.26 174.97 1y9x s ILE 70 N 0.30 1.21 -0.07 -3.70 1.01 -1.26 -1.76 121.20 116.94 1y9x s ILE 70 Ca -0.00 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.04 1y9x s ILE 70 Cb -0.05 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 1y9x s ILE 70 CO 0.01 0.17 -0.24 -0.13 0.00 0.00 0.00 174.94 174.76 1y9x s ARG 71 N 1.60 2.69 -0.03 2.79 0.52 -0.30 -4.97 118.95 121.25 1y9x s ARG 71 Ca 0.01 -0.88 -0.00 0.00 -0.52 0.00 0.00 55.73 54.34 1y9x s ARG 71 Cb -0.15 -2.23 0.03 0.00 0.52 0.00 0.00 34.95 33.12 1y9x s ARG 71 CO -0.08 0.35 0.04 0.54 0.02 0.00 0.00 175.30 176.17 1y9x s VAL 72 N -0.07 -0.07 0.00 3.52 0.11 -1.26 0.09 120.40 122.72 1y9x s VAL 72 Ca -0.06 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.24 1y9x s VAL 72 Cb -0.14 -0.10 0.00 0.00 -1.53 0.00 0.00 36.38 34.61 1y9x s VAL 72 CO 0.05 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.53 1y9x n GLY 73 N 4.38 1.92 3.54 6.54 0.00 -0.38 -5.01 105.19 116.17 1y9x n GLY 73 Ca -0.24 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 1y9x n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y9x s SER 74 N 2.00 4.78 -0.15 1.61 0.01 -1.26 -0.90 113.70 119.79 1y9x s SER 74 Ca 0.00 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1y9x s SER 74 Cb 0.00 -1.59 -0.00 0.00 0.21 0.00 0.00 66.02 64.64 1y9x s SER 74 CO 0.00 0.24 -0.16 -1.58 0.41 0.00 0.00 173.24 172.15 1y9x s GLN 75 N -0.07 3.20 -0.49 12.44 0.74 0.48 -4.89 119.66 131.07 1y9x s GLN 75 Ca 0.02 -0.76 -0.24 0.00 0.05 0.00 0.00 55.36 54.43 1y9x s GLN 75 Cb -0.13 -2.61 0.03 0.00 1.10 0.00 0.00 33.01 31.40 1y9x s GLN 75 CO 0.03 0.02 0.88 0.08 -0.55 0.00 0.00 175.29 175.75 1y9x s VAL 76 N 0.81 4.50 0.27 1.34 1.01 -1.26 -1.45 120.40 125.63 1y9x s VAL 76 Ca -0.05 0.49 0.08 0.00 0.00 0.00 0.00 61.98 62.50 1y9x s VAL 76 Cb -0.15 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 1y9x s VAL 76 CO -0.00 -0.89 0.09 0.68 0.00 0.00 0.00 175.10 174.98 1y9x s VAL 77 N 3.66 3.74 -0.27 2.92 -7.23 0.06 -4.89 120.40 118.40 1y9x s VAL 77 Ca 0.33 -1.70 -0.17 0.00 -1.81 0.00 0.00 61.98 58.63 1y9x s VAL 77 Cb -0.12 -3.06 -0.03 0.00 0.56 0.00 0.00 36.38 33.73 1y9x s VAL 77 CO 0.23 -0.34 0.45 0.42 -0.31 0.00 0.00 175.10 175.55 1y9x s THR 78 N -2.27 5.12 0.05 5.32 -4.23 -1.26 -0.70 115.64 117.67 1y9x s THR 78 Ca 0.33 0.72 -0.28 0.00 -1.18 0.00 0.00 61.69 61.29 1y9x s THR 78 Cb -0.06 -3.77 -0.14 0.00 1.34 0.00 0.00 72.50 69.86 1y9x s THR 78 CO 0.22 0.11 1.42 -1.28 -0.54 0.00 0.00 174.62 174.55 1y9x h SER 79 N 8.10 -0.94 0.00 3.99 0.87 -0.94 -3.47 113.55 121.16 1y9x h SER 79 Ca -0.30 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1y9x h SER 79 Cb 1.15 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.39 1y9x h SER 79 CO 0.68 -0.56 0.00 0.00 -0.53 0.00 0.00 176.83 176.42 1y9x n GLN 80 N -4.72 0.00 -0.00 2.24 6.02 -1.26 -5.02 117.38 114.64 1y9x n GLN 80 Ca -0.11 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.88 1y9x n GLN 80 Cb 0.38 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.64 1y9x n GLN 80 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1y9x h ASP 81 N 0.00 -0.00 0.00 1.08 5.19 -2.03 -3.46 116.42 117.20 1y9x h ASP 81 Ca 0.00 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.28 1y9x h ASP 81 Cb 0.00 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.36 1y9x h ASP 81 CO 0.00 0.01 -0.34 0.61 -3.12 0.00 0.00 179.24 176.40 1y9x n GLY 82 N 1.95 0.53 3.68 2.75 0.00 -1.26 -5.10 105.19 107.75 1y9x n GLY 82 Ca -0.00 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1y9x n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y9x s ARG 83 N 0.00 4.21 0.27 1.61 0.52 -1.26 -4.96 118.95 119.35 1y9x s ARG 83 Ca 0.02 0.33 -0.24 0.00 -0.52 0.00 0.00 55.73 55.32 1y9x s ARG 83 Cb 0.03 -3.53 -0.09 0.00 0.52 0.00 0.00 34.95 31.88 1y9x s ARG 83 CO -0.01 -0.04 0.86 -0.65 0.02 0.00 0.00 175.30 175.48 1y9x s GLN 84 N 1.31 4.50 -0.01 3.54 1.11 -1.26 -0.22 119.66 128.63 1y9x s GLN 84 Ca 0.22 1.19 0.00 0.00 0.01 0.00 0.00 55.36 56.78 1y9x s GLN 84 Cb -0.15 -2.90 0.01 0.00 -1.01 0.00 0.00 33.01 28.96 1y9x s GLN 84 CO 0.09 0.36 0.01 0.45 0.01 0.00 0.00 175.29 176.21 1y9x s SER 85 N -1.55 0.04 -0.39 5.90 0.15 0.13 -4.87 113.70 113.11 1y9x s SER 85 Ca 0.46 0.01 -0.19 0.00 0.70 0.00 0.00 55.95 56.94 1y9x s SER 85 Cb -0.19 -0.03 0.01 0.00 -1.71 0.00 0.00 66.02 64.10 1y9x s SER 85 CO 0.24 -0.05 0.53 -0.13 1.20 0.00 0.00 173.24 175.02 1y9x s ARG 86 N 0.43 3.40 -0.07 5.44 0.52 -1.26 -0.76 118.95 126.64 1y9x s ARG 86 Ca -0.04 -0.37 0.05 0.00 -0.52 0.00 0.00 55.73 54.86 1y9x s ARG 86 Cb -0.05 -3.89 -0.01 0.00 0.52 0.00 0.00 34.95 31.52 1y9x s ARG 86 CO -0.01 -0.79 -0.24 0.08 0.02 0.00 0.00 175.30 174.36 1y9x s VAL 87 N 2.44 2.17 0.01 3.52 1.01 -0.53 -4.93 120.40 124.08 1y9x s VAL 87 Ca 0.18 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 1y9x s VAL 87 Cb -0.15 -1.80 -0.06 0.00 0.00 0.00 0.00 36.38 34.36 1y9x s VAL 87 CO 0.15 0.57 1.58 -0.94 0.00 0.00 0.00 175.10 176.45 1y9x s SER 88 N -0.05 6.70 0.11 3.32 1.04 -1.26 -0.39 113.70 123.18 1y9x s SER 88 Ca -0.07 2.29 0.07 0.00 0.48 0.00 0.00 55.95 58.72 1y9x s SER 88 Cb -0.15 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.39 1y9x s SER 88 CO 0.05 -0.85 -0.17 0.42 0.98 0.00 0.00 173.24 173.67 1y9x s THR 89 N 3.04 1.48 -0.01 2.02 -4.23 -0.08 0.06 115.64 117.92 1y9x s THR 89 Ca 0.71 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1y9x s THR 89 Cb -0.35 -1.51 0.01 0.00 1.34 0.00 0.00 72.50 72.00 1y9x s THR 89 CO 0.29 -0.26 0.00 -0.51 -0.54 0.00 0.00 174.62 173.60 1y9x s ILE 90 N -1.69 0.06 -0.24 2.99 2.07 -0.76 -1.25 121.20 122.38 1y9x s ILE 90 Ca 0.07 0.06 0.01 0.00 -1.41 0.00 0.00 60.65 59.38 1y9x s ILE 90 Cb -0.07 -0.11 0.04 0.00 0.13 0.00 0.00 42.46 42.44 1y9x s ILE 90 CO 0.04 0.07 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.41 1y9x s GLU 91 N 0.49 2.63 -0.24 3.50 2.02 0.11 -1.39 118.70 125.82 1y9x s GLU 91 Ca -0.04 -1.09 -0.02 0.00 0.02 0.00 0.00 54.97 53.84 1y9x s GLU 91 Cb -0.07 -2.84 0.02 0.00 0.10 0.00 0.00 34.13 31.35 1y9x s GLU 91 CO -0.01 -0.42 -0.06 0.42 0.02 0.00 0.00 175.26 175.21 1y9x s ILE 92 N 1.22 2.91 -0.12 -1.63 1.01 0.21 -1.15 121.20 123.65 1y9x s ILE 92 Ca -0.02 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.68 1y9x s ILE 92 Cb -0.17 -2.46 -0.00 0.00 0.01 0.00 0.00 42.46 39.84 1y9x s ILE 92 CO -0.07 0.23 -0.20 0.00 0.00 0.00 0.00 174.94 174.89 1y9x s ALA 93 N 1.34 2.32 0.20 9.38 0.00 -0.72 -0.36 121.76 133.91 1y9x s ALA 93 Ca 0.01 -0.97 0.08 0.00 0.00 0.00 0.00 51.96 51.08 1y9x s ALA 93 Cb -0.16 -0.97 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 1y9x s ALA 93 CO -0.05 0.21 -0.16 0.96 0.00 0.00 0.00 175.76 176.72 1y9x s ILE 94 N 0.45 1.83 -0.27 0.00 -4.36 -1.06 -1.76 121.20 116.03 1y9x s ILE 94 Ca -0.14 -2.12 -0.03 0.00 -0.26 0.00 0.00 60.65 58.09 1y9x s ILE 94 Cb -0.17 -1.99 0.02 0.00 1.25 0.00 0.00 42.46 41.57 1y9x s ILE 94 CO 0.06 -0.48 -0.01 -0.13 0.24 0.00 0.00 174.94 174.62 1y9x s ARG 95 N -3.32 2.91 -0.06 0.37 1.81 0.12 -3.12 118.95 117.66 1y9x s ARG 95 Ca 0.21 -0.95 -0.21 0.00 -1.72 0.00 0.00 55.73 53.06 1y9x s ARG 95 Cb -0.03 -3.13 -0.04 0.00 -0.45 0.00 0.00 34.95 31.30 1y9x s ARG 95 CO 0.07 -0.42 0.60 0.15 -0.68 0.00 0.00 175.30 175.02 1y9x s LYS 96 N 1.38 4.36 0.00 3.54 -0.14 0.68 -0.97 119.74 128.60 1y9x s LYS 96 Ca 0.01 0.70 0.00 0.00 -1.36 0.00 0.00 55.97 55.32 1y9x s LYS 96 Cb -0.17 -3.40 0.00 0.00 -1.68 0.00 0.00 37.83 32.58 1y9x s LYS 96 CO -0.02 0.21 0.00 1.63 -0.76 0.00 0.00 175.35 176.41