#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 0.00 -4.63 6.12 2.88 -1.26 -5.10 113.62 111.63 1y9x n SER 2 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1y9x n SER 2 Cb 0.00 -0.11 -0.11 0.00 -0.75 0.00 0.00 64.21 63.24 1y9x n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1y9x s SER 3 N -2.15 3.92 0.25 -3.46 0.15 -1.26 -5.15 113.70 106.01 1y9x s SER 3 Ca 0.00 -1.35 0.11 0.00 0.70 0.00 0.00 55.95 55.40 1y9x s SER 3 Cb 0.00 -0.39 -0.05 0.00 -1.71 0.00 0.00 66.02 63.87 1y9x s SER 3 CO 0.00 -0.46 -0.19 -0.83 1.20 0.00 0.00 173.24 172.95 1y9x s GLY 4 N -3.73 1.76 0.03 9.45 0.00 -1.26 -5.07 107.32 108.50 1y9x s GLY 4 Ca 0.35 -1.80 -0.21 0.00 0.00 0.00 0.00 44.72 43.07 1y9x s GLY 4 CO 0.18 -1.88 1.31 -0.84 0.00 0.00 0.00 173.10 171.87 1y9x h THR 5 N 2.45 1.36 -2.25 0.90 2.02 -2.08 -3.44 112.91 111.87 1y9x h THR 5 Ca -0.40 -1.37 -0.57 0.00 0.77 0.00 0.00 66.41 64.83 1y9x h THR 5 Cb 1.25 1.96 0.03 0.00 -1.74 0.00 0.00 68.15 69.65 1y9x h THR 5 CO 0.59 0.40 1.08 -2.65 0.37 0.00 0.00 175.52 175.31 1y9x n PRO 6 N -4.54 2.46 -2.29 6.66 -0.02 -1.26 -4.92 135.00 131.09 1y9x n PRO 6 Ca -0.07 0.90 -0.43 0.00 -2.02 0.00 0.00 63.50 61.89 1y9x n PRO 6 Cb 0.38 -2.76 -0.02 0.00 -0.02 0.00 0.00 33.50 31.07 1y9x n PRO 6 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1y9x s THR 7 N 3.26 4.03 -0.09 3.45 2.01 -1.26 -4.97 115.64 122.07 1y9x s THR 7 Ca 0.87 1.22 -0.30 0.00 0.31 0.00 0.00 61.69 63.79 1y9x s THR 7 Cb -0.59 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 1y9x s THR 7 CO 0.44 -0.19 1.43 -2.16 -0.69 0.00 0.00 174.62 173.45 1y9x s PRO 8 N 3.88 4.23 -0.07 4.92 0.04 -1.26 -4.90 135.00 141.84 1y9x s PRO 8 Ca 0.61 1.92 0.08 0.00 0.04 0.00 0.00 61.00 63.65 1y9x s PRO 8 Cb -0.24 -3.80 0.34 0.00 0.04 0.00 0.00 34.50 30.85 1y9x s PRO 8 CO 0.21 -0.72 1.14 0.43 0.04 0.00 0.00 177.00 178.10 1y9x n SER 9 N 6.50 2.62 -1.58 6.66 7.64 -1.26 -3.93 113.62 130.26 1y9x n SER 9 Ca 0.15 -2.25 0.09 0.00 1.01 0.00 0.00 58.87 57.86 1y9x n SER 9 Cb 0.44 -0.44 0.35 0.00 -1.01 0.00 0.00 64.21 63.55 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 0.36 4.70 -4.02 6.43 6.94 -1.26 -4.76 115.26 123.65 1y9x n ASN 10 Ca 0.12 -2.49 -0.31 0.00 -0.02 0.00 0.00 54.58 51.88 1y9x n ASN 10 Cb 0.52 -0.58 -0.15 0.00 -2.36 0.00 0.00 39.78 37.21 1y9x n ASN 10 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1y9x s VAL 11 N -1.95 1.87 0.01 3.53 1.01 -1.25 -0.62 120.40 122.99 1y9x s VAL 11 Ca 0.49 -1.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1y9x s VAL 11 Cb 0.33 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1y9x s VAL 11 CO 0.22 0.02 0.13 0.68 0.00 0.00 0.00 175.10 176.16 1y9x s VAL 12 N 1.26 5.05 -0.19 2.92 -7.23 -0.25 -4.97 120.40 116.99 1y9x s VAL 12 Ca -0.06 -0.35 -0.03 0.00 -1.81 0.00 0.00 61.98 59.74 1y9x s VAL 12 Cb -0.19 -3.36 -0.01 0.00 0.56 0.00 0.00 36.38 33.39 1y9x s VAL 12 CO -0.06 0.30 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.73 1y9x s LEU 13 N -1.96 2.89 -0.04 1.32 2.96 -1.26 -0.39 118.68 122.21 1y9x s LEU 13 Ca 0.26 -0.34 -0.21 0.00 -0.22 0.00 0.00 54.13 53.62 1y9x s LEU 13 Cb -0.12 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 1y9x s LEU 13 CO 0.18 0.06 0.62 -0.63 -1.32 0.00 0.00 176.35 175.26 1y9x s ILE 14 N 1.00 4.99 0.00 6.68 1.01 -0.21 -4.95 121.20 129.73 1y9x s ILE 14 Ca -0.00 1.29 0.00 0.00 0.00 0.00 0.00 60.65 61.94 1y9x s ILE 14 Cb -0.15 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1y9x s ILE 14 CO -0.00 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.89 1y9x n GLY 15 N 2.78 0.65 1.04 6.18 0.00 -1.26 -4.39 105.19 110.19 1y9x n GLY 15 Ca -0.05 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 2.47 -3.80 1.61 3.00 -1.26 -4.96 118.16 115.21 1y9x n LYS 16 Ca 0.00 -2.24 -0.34 0.00 -0.00 0.00 0.00 58.31 55.73 1y9x n LYS 16 Cb 0.00 -1.45 -0.05 0.00 0.00 0.00 0.00 35.03 33.53 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 -1.20 3.53 0.61 1.64 -0.14 -1.26 -5.08 119.74 117.84 1y9x s LYS 17 Ca 0.36 -0.16 -0.18 0.00 -1.36 0.00 0.00 55.97 54.63 1y9x s LYS 17 Cb 0.20 -3.07 -0.03 0.00 -1.68 0.00 0.00 37.83 33.25 1y9x s LYS 17 CO 0.27 0.65 1.17 -1.25 -0.76 0.00 0.00 175.35 175.43 1y9x s PRO 18 N -1.87 2.95 0.27 -1.68 0.04 -1.26 -4.94 135.00 128.51 1y9x s PRO 18 Ca 0.28 1.69 0.01 0.00 0.04 0.00 0.00 61.00 63.01 1y9x s PRO 18 Cb -0.13 -1.94 0.57 0.00 0.04 0.00 0.00 34.50 33.04 1y9x s PRO 18 CO 0.17 -1.19 1.79 -0.24 0.04 0.00 0.00 177.00 177.57 1y9x h VAL 19 N 0.69 0.79 -0.10 -0.36 3.04 -1.98 -1.91 116.25 116.41 1y9x h VAL 19 Ca -0.49 -0.26 0.03 0.00 -1.01 0.00 0.00 66.70 64.97 1y9x h VAL 19 Cb 1.28 -0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 30.52 1y9x h VAL 19 CO 0.55 0.14 0.08 0.00 -1.01 0.00 0.00 177.57 177.33 1y9x h MET 20 N 0.76 0.00 -0.49 4.17 -0.00 -1.99 -0.46 114.93 116.92 1y9x h MET 20 Ca 0.49 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 60.08 1y9x h MET 20 Cb 0.64 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.22 1y9x h MET 20 CO -0.33 0.00 -0.14 -0.97 -0.00 0.00 0.00 176.91 175.47 1y9x h ASN 21 N 0.00 0.95 0.14 -0.10 -1.24 -1.72 -1.09 115.58 112.52 1y9x h ASN 21 Ca 0.05 -0.32 -0.23 0.00 0.71 0.00 0.00 56.30 56.51 1y9x h ASN 21 Cb 0.21 -0.26 0.01 0.00 0.73 0.00 0.00 38.32 39.01 1y9x h ASN 21 CO -0.00 1.08 -0.91 1.88 -1.29 0.00 0.00 177.43 178.19 1y9x h TYR 22 N 0.83 0.81 0.39 0.67 0.05 -1.22 -2.19 116.97 116.32 1y9x h TYR 22 Ca 0.13 -0.41 -0.02 0.00 0.05 0.00 0.00 58.73 58.48 1y9x h TYR 22 Cb 0.69 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.33 1y9x h TYR 22 CO 0.04 1.23 -0.19 0.28 -1.05 0.00 0.00 178.16 178.47 1y9x h VAL 23 N 0.34 0.62 -0.21 -2.88 2.07 -1.13 -1.00 116.25 114.06 1y9x h VAL 23 Ca -0.08 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1y9x h VAL 23 Cb 1.53 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1y9x h VAL 23 CO 0.17 0.02 -0.01 -0.07 0.02 0.00 0.00 177.57 177.69 1y9x h LEU 24 N -0.57 0.28 -0.16 2.57 3.38 -1.25 -1.37 115.31 118.19 1y9x h LEU 24 Ca -0.05 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1y9x h LEU 24 Cb 0.43 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1y9x h LEU 24 CO 0.09 0.35 -0.02 0.00 0.09 0.00 0.00 178.44 178.95 1y9x h ALA 25 N 1.69 0.21 -0.64 1.53 0.00 -1.18 -1.90 119.26 118.98 1y9x h ALA 25 Ca 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1y9x h ALA 25 Cb 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1y9x h ALA 25 CO 0.01 -0.05 0.32 0.00 0.00 0.00 0.00 179.25 179.53 1y9x h ALA 26 N 0.73 0.82 -0.41 0.00 0.00 -0.69 -0.55 119.26 119.16 1y9x h ALA 26 Ca 0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1y9x h ALA 26 Cb 0.43 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1y9x h ALA 26 CO 0.01 0.36 0.13 -0.07 0.00 0.00 0.00 179.25 179.68 1y9x h LEU 27 N 0.87 0.53 -0.40 0.00 3.38 -1.23 -1.87 115.31 116.59 1y9x h LEU 27 Ca 0.22 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 1y9x h LEU 27 Cb 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1y9x h LEU 27 CO -0.03 0.51 -0.76 0.74 0.09 0.00 0.00 178.44 178.99 1y9x h THR 28 N 0.58 1.41 -0.12 0.22 2.02 -0.66 -3.07 112.91 113.28 1y9x h THR 28 Ca 0.14 -2.24 -0.09 0.00 0.77 0.00 0.00 66.41 64.99 1y9x h THR 28 Cb 0.17 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 1y9x h THR 28 CO -0.01 0.67 -0.31 -0.07 0.37 0.00 0.00 175.52 176.17 1y9x h LEU 29 N 0.22 0.24 -1.55 2.58 3.38 -0.44 -1.95 115.31 117.79 1y9x h LEU 29 Ca -0.03 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1y9x h LEU 29 Cb 1.34 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1y9x h LEU 29 CO 0.12 0.54 -0.22 -0.07 0.09 0.00 0.00 178.44 178.90 1y9x h LEU 30 N 0.21 0.00 -0.21 1.67 3.38 -1.27 -0.67 115.31 118.41 1y9x h LEU 30 Ca 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1y9x h LEU 30 Cb 0.65 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1y9x h LEU 30 CO 0.05 0.23 -0.10 -3.20 0.09 0.00 0.00 178.44 175.50 1y9x n ASN 31 N -4.27 0.43 -0.01 -0.43 5.15 -0.75 -3.16 115.26 112.22 1y9x n ASN 31 Ca -0.02 -0.53 0.10 0.00 -0.60 0.00 0.00 54.58 53.52 1y9x n ASN 31 Cb 0.28 -0.09 -0.15 0.00 -0.53 0.00 0.00 39.78 39.29 1y9x n ASN 31 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1y9x n GLN 32 N -0.99 0.60 0.00 1.20 1.13 -0.39 -4.99 117.38 113.96 1y9x n GLN 32 Ca 0.14 -0.18 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 1y9x n GLN 32 Cb 0.27 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.15 1y9x n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1y9x n GLY 33 N 1.37 1.45 3.35 1.08 0.00 -0.68 -5.07 105.19 106.69 1y9x n GLY 33 Ca -0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.53 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 5.24 0.11 1.61 1.01 -0.47 -4.89 120.40 121.01 1y9x s VAL 34 Ca 0.00 -1.81 -0.13 0.00 0.00 0.00 0.00 61.98 60.04 1y9x s VAL 34 Cb 0.00 -4.48 -0.10 0.00 0.00 0.00 0.00 36.38 31.80 1y9x s VAL 34 CO 0.00 -1.07 1.39 0.28 0.00 0.00 0.00 175.10 175.70 1y9x h SER 35 N 8.48 0.89 -3.28 3.32 0.02 -1.85 -3.35 113.55 117.78 1y9x h SER 35 Ca -0.07 -0.53 -0.66 0.00 -0.84 0.00 0.00 61.79 59.69 1y9x h SER 35 Cb 1.06 -0.25 -0.30 0.00 0.14 0.00 0.00 62.40 63.05 1y9x h SER 35 CO 0.94 1.24 -0.79 -1.83 -1.14 0.00 0.00 176.83 175.26 1y9x s GLU 36 N -4.15 3.25 0.15 3.45 -1.05 -1.26 -0.35 118.70 118.74 1y9x s GLU 36 Ca -0.11 -0.72 0.06 0.00 -0.15 0.00 0.00 54.97 54.05 1y9x s GLU 36 Cb 0.09 -2.71 -0.04 0.00 -0.44 0.00 0.00 34.13 31.03 1y9x s GLU 36 CO 0.87 -0.04 -0.14 0.96 0.95 0.00 0.00 175.26 177.86 1y9x s ILE 37 N 0.97 1.44 -0.11 1.83 -0.00 -1.03 -5.00 121.20 119.30 1y9x s ILE 37 Ca -0.02 -1.91 0.03 0.00 -0.00 0.00 0.00 60.65 58.76 1y9x s ILE 37 Cb -0.15 -1.73 0.00 0.00 -0.00 0.00 0.00 42.46 40.58 1y9x s ILE 37 CO -0.02 -0.50 -0.23 -0.69 -0.00 0.00 0.00 174.94 173.50 1y9x s VAL 38 N -2.52 2.03 -0.24 8.37 1.01 0.21 -2.60 120.40 126.66 1y9x s VAL 38 Ca 0.14 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 1y9x s VAL 38 Cb -0.03 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1y9x s VAL 38 CO 0.04 0.55 0.02 -0.63 0.00 0.00 0.00 175.10 175.08 1y9x s ILE 39 N 0.50 3.89 -0.11 2.22 1.01 0.41 -1.09 121.20 128.04 1y9x s ILE 39 Ca -0.15 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1y9x s ILE 39 Cb -0.17 -2.80 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 1y9x s ILE 39 CO 0.05 0.38 -0.11 -0.54 0.00 0.00 0.00 174.94 174.72 1y9x s LYS 40 N 1.54 3.13 0.16 2.79 1.02 0.48 -0.88 119.74 127.98 1y9x s LYS 40 Ca 0.06 -0.64 0.03 0.00 0.02 0.00 0.00 55.97 55.44 1y9x s LYS 40 Cb -0.15 -2.61 -0.05 0.00 -0.52 0.00 0.00 37.83 34.50 1y9x s LYS 40 CO 0.01 0.39 -0.04 0.00 -0.92 0.00 0.00 175.35 174.79 1y9x s ALA 41 N -0.09 1.38 -0.02 5.17 0.00 -0.83 -1.04 121.76 126.33 1y9x s ALA 41 Ca -0.01 -1.55 -0.17 0.00 0.00 0.00 0.00 51.96 50.24 1y9x s ALA 41 Cb -0.14 0.34 0.03 0.00 0.00 0.00 0.00 23.12 23.35 1y9x s ALA 41 CO 0.03 -0.23 0.36 -0.98 0.00 0.00 0.00 175.76 174.93 1y9x s ARG 42 N -3.85 0.72 6.43 0.00 1.04 -1.26 -1.32 118.95 120.71 1y9x s ARG 42 Ca 0.20 -0.14 0.00 0.00 -1.04 0.00 0.00 55.73 54.76 1y9x s ARG 42 Cb 0.05 0.32 0.00 0.00 -2.04 0.00 0.00 34.95 33.28 1y9x s ARG 42 CO 0.02 -0.20 0.00 0.41 -0.04 0.00 0.00 175.30 175.49 1y9x n GLY 43 N 1.23 1.09 0.45 3.88 0.00 0.57 -2.52 105.19 109.89 1y9x n GLY 43 Ca -0.21 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 45.38 1y9x n GLY 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1y9x n ARG 44 N 12.49 1.61 0.00 1.61 0.63 -1.26 -3.55 116.66 128.19 1y9x n ARG 44 Ca 0.00 -0.89 0.14 0.00 -0.92 0.00 0.00 57.85 56.18 1y9x n ARG 44 Cb 0.00 -1.46 0.68 0.00 0.45 0.00 0.00 32.46 32.13 1y9x n ARG 44 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1y9x n ALA 45 N 0.09 2.58 -0.27 5.13 0.00 -1.05 -3.64 120.51 123.36 1y9x n ALA 45 Ca 0.19 -0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.57 1y9x n ALA 45 Cb 0.32 -1.43 0.38 0.00 0.00 0.00 0.00 19.45 18.72 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 0.14 0.83 -0.04 0.00 2.04 -1.74 0.47 117.51 119.22 1y9x h ILE 46 Ca 0.00 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1y9x h ILE 46 Cb 0.34 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1y9x h ILE 46 CO 0.00 0.12 -0.07 -1.28 0.00 0.00 0.00 178.15 176.92 1y9x h SER 47 N 0.68 0.05 1.53 1.72 0.87 -1.88 -2.24 113.55 114.29 1y9x h SER 47 Ca 0.45 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.96 1y9x h SER 47 Cb 0.73 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1y9x h SER 47 CO -0.21 0.14 -0.48 0.11 -0.53 0.00 0.00 176.83 175.86 1y9x h LYS 48 N 0.06 0.00 -0.12 2.24 1.57 -1.15 -2.76 116.57 116.40 1y9x h LYS 48 Ca 0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1y9x h LYS 48 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1y9x h LYS 48 CO 0.01 0.17 -0.10 0.00 -0.57 0.00 0.00 179.45 178.95 1y9x h ALA 49 N 1.80 0.18 -0.11 3.86 0.00 -1.23 0.17 119.26 123.93 1y9x h ALA 49 Ca -0.02 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 1y9x h ALA 49 Cb 1.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1y9x h ALA 49 CO 0.02 0.02 -0.46 -0.24 0.00 0.00 0.00 179.25 178.59 1y9x h VAL 50 N -0.10 1.33 -0.53 0.00 3.04 -1.63 -2.14 116.25 116.22 1y9x h VAL 50 Ca 0.02 -1.65 -0.01 0.00 -1.01 0.00 0.00 66.70 64.05 1y9x h VAL 50 Cb 0.61 1.76 -0.03 0.00 -2.01 0.00 0.00 31.29 31.63 1y9x h VAL 50 CO 0.03 0.49 0.29 -0.78 -1.01 0.00 0.00 177.57 176.59 1y9x h ASP 51 N 0.22 0.67 -0.15 3.17 3.58 -1.36 -0.88 116.42 121.67 1y9x h ASP 51 Ca 0.01 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.35 1y9x h ASP 51 Cb 0.90 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 1y9x h ASP 51 CO 0.07 0.58 0.05 0.74 -2.88 0.00 0.00 179.24 177.80 1y9x h THR 52 N 0.72 1.18 -0.16 2.25 2.02 -0.70 -3.03 112.91 115.18 1y9x h THR 52 Ca 0.19 -0.54 -0.12 0.00 0.77 0.00 0.00 66.41 66.71 1y9x h THR 52 Cb 0.06 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1y9x h THR 52 CO -0.03 0.16 -0.42 -0.37 0.37 0.00 0.00 175.52 175.23 1y9x h VAL 53 N 0.06 1.31 -0.49 3.16 -1.51 -1.16 -2.70 116.25 114.91 1y9x h VAL 53 Ca 0.05 -1.58 -0.04 0.00 -1.23 0.00 0.00 66.70 63.91 1y9x h VAL 53 Cb 0.21 1.66 -0.02 0.00 -2.13 0.00 0.00 31.29 31.01 1y9x h VAL 53 CO -0.00 0.48 0.17 -0.08 -1.23 0.00 0.00 177.57 176.91 1y9x h GLU 54 N 0.30 0.76 -0.44 5.19 4.81 -1.16 -1.99 114.58 122.05 1y9x h GLU 54 Ca 0.03 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1y9x h GLU 54 Cb 0.87 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.09 1y9x h GLU 54 CO 0.07 0.70 0.18 0.82 -0.73 0.00 0.00 179.01 180.05 1y9x h ILE 55 N 0.66 0.90 -0.54 2.32 2.04 -1.39 -1.90 117.51 119.61 1y9x h ILE 55 Ca 0.16 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1y9x h ILE 55 Cb 0.24 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1y9x h ILE 55 CO -0.01 0.07 0.28 0.58 0.00 0.00 0.00 178.15 179.07 1y9x h VAL 56 N 0.37 1.19 -0.15 1.67 2.07 -1.30 -0.57 116.25 119.54 1y9x h VAL 56 Ca 0.20 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1y9x h VAL 56 Cb 0.16 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1y9x h VAL 56 CO -0.18 0.21 0.00 -2.11 0.02 0.00 0.00 177.57 175.51 1y9x n ARG 57 N -4.60 1.35 0.00 1.57 1.85 -0.77 -2.79 116.66 113.28 1y9x n ARG 57 Ca 0.03 -0.53 0.00 0.00 -1.00 0.00 0.00 57.85 56.34 1y9x n ARG 57 Cb 0.10 -1.13 0.00 0.00 -1.05 0.00 0.00 32.46 30.39 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 -0.06 2.58 -0.10 2.89 5.15 -0.75 -3.89 115.26 121.08 1y9x n ASN 58 Ca 0.05 -0.11 -0.19 0.00 -0.60 0.00 0.00 54.58 53.72 1y9x n ASN 58 Cb 0.13 0.75 -0.07 0.00 -0.53 0.00 0.00 39.78 40.05 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 -1.00 0.43 -0.02 1.20 0.63 -0.27 -4.73 116.66 112.90 1y9x n ARG 59 Ca 0.00 0.16 -0.01 0.00 -0.92 0.00 0.00 57.85 57.08 1y9x n ARG 59 Cb 0.00 -1.24 -0.00 0.00 0.45 0.00 0.00 32.46 31.66 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 -0.53 0.00 -3.30 -0.14 3.57 -1.74 -3.46 116.94 111.34 1y9x h PHE 60 Ca -0.48 0.00 -0.57 0.00 3.53 0.00 0.00 57.97 60.45 1y9x h PHE 60 Cb 1.49 0.00 -0.40 0.00 2.79 0.00 0.00 35.95 39.83 1y9x h PHE 60 CO -0.04 0.00 -0.76 -0.51 -2.23 0.00 0.00 178.31 174.77 1y9x s LEU 61 N -5.41 2.13 0.03 0.59 2.01 -1.25 -4.92 118.68 111.86 1y9x s LEU 61 Ca -0.03 -1.36 0.19 0.00 0.01 0.00 0.00 54.13 52.94 1y9x s LEU 61 Cb 0.00 -0.88 -0.17 0.00 0.01 0.00 0.00 46.19 45.15 1y9x s LEU 61 CO 0.05 -0.35 0.69 0.00 1.01 0.00 0.00 176.35 177.75 1y9x n ALA 62 N 4.84 2.18 0.06 4.21 0.00 -1.25 -4.17 120.51 126.38 1y9x n ALA 62 Ca -0.05 -0.59 -0.15 0.00 0.00 0.00 0.00 53.44 52.65 1y9x n ALA 62 Cb 0.44 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 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 0.61 -3.99 0.00 5.19 -1.91 -3.40 116.42 112.92 1y9x h ASP 63 Ca -0.15 -0.49 -0.63 0.00 -0.62 0.00 0.00 57.03 55.14 1y9x h ASP 63 Cb 1.44 -0.19 -0.41 0.00 0.18 0.00 0.00 39.33 40.35 1y9x h ASP 63 CO 0.02 1.30 -0.66 -0.54 -3.12 0.00 0.00 179.24 176.24 1y9x s LYS 64 N -3.27 1.80 -0.11 3.56 1.02 -1.26 -5.04 119.74 116.44 1y9x s LYS 64 Ca -0.07 -2.49 -0.06 0.00 0.02 0.00 0.00 55.97 53.37 1y9x s LYS 64 Cb 0.08 -3.01 0.04 0.00 -0.52 0.00 0.00 37.83 34.43 1y9x s LYS 64 CO 0.88 -1.14 0.26 -1.50 -0.92 0.00 0.00 175.35 172.93 1y9x s ILE 65 N -0.19 -0.03 0.04 2.17 1.10 -1.26 -4.24 121.20 118.79 1y9x s ILE 65 Ca 0.18 0.12 0.05 0.00 -0.51 0.00 0.00 60.65 60.50 1y9x s ILE 65 Cb -0.23 -0.40 -0.02 0.00 0.15 0.00 0.00 42.46 41.95 1y9x s ILE 65 CO -0.02 0.05 -0.15 -0.70 -2.11 0.00 0.00 174.94 172.01 1y9x s GLU 66 N 1.13 0.99 -0.15 3.50 2.12 -0.98 -5.01 118.70 120.29 1y9x s GLU 66 Ca -0.08 -0.81 -0.08 0.00 0.36 0.00 0.00 54.97 54.35 1y9x s GLU 66 Cb -0.09 -1.02 -0.04 0.00 0.26 0.00 0.00 34.13 33.23 1y9x s GLU 66 CO -0.08 0.25 0.13 0.42 -0.54 0.00 0.00 175.26 175.44 1y9x s ILE 67 N -0.89 5.42 -0.13 -3.70 1.01 -1.26 -0.09 121.20 121.55 1y9x s ILE 67 Ca 0.02 0.18 -0.09 0.00 0.00 0.00 0.00 60.65 60.76 1y9x s ILE 67 Cb -0.08 -3.41 -0.06 0.00 0.01 0.00 0.00 42.46 38.92 1y9x s ILE 67 CO 0.02 0.54 0.02 0.50 0.00 0.00 0.00 174.94 176.02 1y9x h LYS 68 N 5.73 0.00 -1.63 2.79 1.63 -1.22 -3.45 116.57 120.42 1y9x h LYS 68 Ca -0.49 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 59.40 1y9x h LYS 68 Cb 1.19 0.00 -0.22 0.00 -0.60 0.00 0.00 32.23 32.60 1y9x h LYS 68 CO 0.66 0.21 0.55 -2.00 -3.45 0.00 0.00 179.45 175.42 1y9x s GLU 69 N -2.00 0.60 -0.12 1.90 2.56 -1.07 -5.04 118.70 115.53 1y9x s GLU 69 Ca -0.11 0.09 -0.01 0.00 0.00 0.00 0.00 54.97 54.93 1y9x s GLU 69 Cb 0.01 0.28 0.04 0.00 2.00 0.00 0.00 34.13 36.46 1y9x s GLU 69 CO 0.23 -0.20 -0.01 0.42 -0.56 0.00 0.00 175.26 175.13 1y9x s ILE 70 N -1.37 0.62 0.05 -3.70 1.01 -1.26 -1.85 121.20 114.71 1y9x s ILE 70 Ca -0.01 -0.21 0.07 0.00 0.00 0.00 0.00 60.65 60.50 1y9x s ILE 70 Cb -0.01 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 1y9x s ILE 70 CO 0.00 0.14 -0.18 -0.13 0.00 0.00 0.00 174.94 174.77 1y9x s ARG 71 N 1.86 1.17 -0.10 2.79 0.52 -0.75 -5.00 118.95 119.43 1y9x s ARG 71 Ca 0.03 -0.92 -0.08 0.00 -0.52 0.00 0.00 55.73 54.23 1y9x s ARG 71 Cb -0.14 -1.28 0.03 0.00 0.52 0.00 0.00 34.95 34.09 1y9x s ARG 71 CO -0.07 0.32 0.27 0.54 0.02 0.00 0.00 175.30 176.38 1y9x s VAL 72 N -0.90 -0.01 0.00 3.52 0.11 -1.26 -0.19 120.40 121.68 1y9x s VAL 72 Ca 0.05 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1y9x s VAL 72 Cb -0.09 -0.39 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 1y9x s VAL 72 CO 0.02 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 1y9x n GLY 73 N 3.26 1.69 3.37 6.54 0.00 -0.23 -5.01 105.19 114.82 1y9x n GLY 73 Ca -0.16 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 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 4.10 -0.04 1.61 0.01 -1.26 -0.30 113.70 119.82 1y9x s SER 74 Ca 0.00 -0.32 0.03 0.00 1.31 0.00 0.00 55.95 56.96 1y9x s SER 74 Cb 0.00 -1.64 -0.03 0.00 0.21 0.00 0.00 66.02 64.56 1y9x s SER 74 CO 0.00 0.14 -0.10 -1.58 0.41 0.00 0.00 173.24 172.11 1y9x s GLN 75 N 0.51 2.58 -0.37 12.44 0.74 0.27 -4.91 119.66 130.92 1y9x s GLN 75 Ca -0.08 -0.67 -0.17 0.00 0.05 0.00 0.00 55.36 54.49 1y9x s GLN 75 Cb -0.15 -2.48 -0.00 0.00 1.10 0.00 0.00 33.01 31.48 1y9x s GLN 75 CO 0.04 0.63 0.45 0.08 -0.55 0.00 0.00 175.29 175.94 1y9x s VAL 76 N -0.85 5.07 0.20 1.34 1.01 -1.26 -1.00 120.40 124.91 1y9x s VAL 76 Ca 0.14 0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.29 1y9x s VAL 76 Cb -0.11 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1y9x s VAL 76 CO 0.03 -0.23 -0.15 0.68 0.00 0.00 0.00 175.10 175.42 1y9x s VAL 77 N 2.23 1.76 0.26 2.92 -7.23 0.39 -4.93 120.40 115.80 1y9x s VAL 77 Ca 0.15 -2.14 -0.18 0.00 -1.81 0.00 0.00 61.98 58.00 1y9x s VAL 77 Cb -0.16 -1.99 -0.08 0.00 0.56 0.00 0.00 36.38 34.70 1y9x s VAL 77 CO 0.13 -0.53 0.72 0.42 -0.31 0.00 0.00 175.10 175.53 1y9x s THR 78 N -2.74 4.62 -0.03 5.32 -4.23 -1.26 0.14 115.64 117.46 1y9x s THR 78 Ca 0.21 1.13 -0.24 0.00 -1.18 0.00 0.00 61.69 61.61 1y9x s THR 78 Cb -0.02 -3.76 -0.21 0.00 1.34 0.00 0.00 72.50 69.85 1y9x s THR 78 CO 0.07 0.06 1.15 0.28 -0.54 0.00 0.00 174.62 175.64 1y9x h SER 79 N 2.99 0.17 0.00 3.99 0.02 -1.52 -3.47 113.55 115.74 1y9x h SER 79 Ca -0.48 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 59.83 1y9x h SER 79 Cb 1.19 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1y9x h SER 79 CO 0.65 0.78 0.00 0.00 -1.14 0.00 0.00 176.83 177.13 1y9x n GLN 80 N -4.63 0.00 -0.74 3.45 10.64 -1.26 -5.09 117.38 119.75 1y9x n GLN 80 Ca -0.09 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.08 1y9x n GLN 80 Cb 0.39 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.77 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 0.09 -2.88 2.61 2.03 -1.26 -4.95 116.55 112.18 1y9x n ASP 81 Ca 0.00 -0.71 -0.30 0.00 0.52 0.00 0.00 54.79 54.30 1y9x n ASP 81 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 1y9x n ASP 81 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1y9x n GLY 82 N 5.00 3.94 3.00 0.27 0.00 -1.26 -4.77 105.19 111.36 1y9x n GLY 82 Ca 0.00 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 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 1.40 2.03 -0.04 1.61 3.52 -1.26 -5.05 118.95 121.17 1y9x s ARG 83 Ca 0.67 -0.84 -0.26 0.00 -0.13 0.00 0.00 55.73 55.18 1y9x s ARG 83 Cb 0.23 -2.41 -0.03 0.00 -1.56 0.00 0.00 34.95 31.18 1y9x s ARG 83 CO -0.05 -0.42 0.82 -0.65 -0.81 0.00 0.00 175.30 174.19 1y9x s GLN 84 N 1.40 4.49 -0.02 5.12 -1.52 -1.26 -1.18 119.66 126.69 1y9x s GLN 84 Ca -0.01 1.12 0.05 0.00 -1.95 0.00 0.00 55.36 54.56 1y9x s GLN 84 Cb -0.16 -3.45 -0.01 0.00 -0.22 0.00 0.00 33.01 29.17 1y9x s GLN 84 CO -0.08 0.02 -0.16 0.45 -0.25 0.00 0.00 175.29 175.27 1y9x s SER 85 N 0.87 1.96 -0.19 5.90 0.15 0.12 -4.96 113.70 117.56 1y9x s SER 85 Ca 0.44 -0.31 -0.12 0.00 0.70 0.00 0.00 55.95 56.66 1y9x s SER 85 Cb -0.19 -0.32 -0.05 0.00 -1.71 0.00 0.00 66.02 63.75 1y9x s SER 85 CO 0.22 0.18 0.22 -0.13 1.20 0.00 0.00 173.24 174.94 1y9x s ARG 86 N -0.25 4.21 -0.00 5.44 0.52 -1.26 -0.47 118.95 127.14 1y9x s ARG 86 Ca 0.03 -0.07 0.03 0.00 -0.52 0.00 0.00 55.73 55.21 1y9x s ARG 86 Cb -0.08 -3.44 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 1y9x s ARG 86 CO 0.00 0.23 -0.10 0.08 0.02 0.00 0.00 175.30 175.53 1y9x s VAL 87 N 0.54 0.78 -0.11 3.52 1.01 -0.17 -4.94 120.40 121.04 1y9x s VAL 87 Ca 0.12 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 1y9x s VAL 87 Cb -0.12 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 1y9x s VAL 87 CO 0.02 0.20 1.46 -0.94 0.00 0.00 0.00 175.10 175.84 1y9x s SER 88 N -0.30 6.80 0.18 3.32 1.04 -1.26 -0.56 113.70 122.91 1y9x s SER 88 Ca 0.03 1.96 0.10 0.00 0.48 0.00 0.00 55.95 58.52 1y9x s SER 88 Cb -0.04 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 1y9x s SER 88 CO -0.00 -0.85 -0.15 0.42 0.98 0.00 0.00 173.24 173.63 1y9x s THR 89 N 3.80 2.87 -0.06 2.02 -4.23 0.58 -0.32 115.64 120.31 1y9x s THR 89 Ca 0.64 -1.79 -0.03 0.00 -1.18 0.00 0.00 61.69 59.34 1y9x s THR 89 Cb -0.27 -2.40 0.03 0.00 1.34 0.00 0.00 72.50 71.20 1y9x s THR 89 CO 0.22 -0.10 0.13 -0.51 -0.54 0.00 0.00 174.62 173.82 1y9x s ILE 90 N -1.66 -0.04 -0.33 2.99 2.07 -0.43 -1.06 121.20 122.73 1y9x s ILE 90 Ca 0.23 0.15 -0.03 0.00 -1.41 0.00 0.00 60.65 59.58 1y9x s ILE 90 Cb -0.09 -0.21 0.06 0.00 0.13 0.00 0.00 42.46 42.36 1y9x s ILE 90 CO 0.13 0.06 0.07 -1.61 -1.91 0.00 0.00 174.94 171.68 1y9x s GLU 91 N 0.92 2.39 -0.30 3.50 8.01 0.74 -1.97 118.70 132.00 1y9x s GLU 91 Ca -0.07 -1.35 -0.08 0.00 0.01 0.00 0.00 54.97 53.47 1y9x s GLU 91 Cb -0.09 -3.33 -0.01 0.00 -4.31 0.00 0.00 34.13 26.39 1y9x s GLU 91 CO -0.04 -0.72 0.11 0.42 0.01 0.00 0.00 175.26 175.04 1y9x s ILE 92 N 1.27 4.34 -0.15 -1.63 1.01 -0.05 -1.81 121.20 124.18 1y9x s ILE 92 Ca -0.02 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1y9x s ILE 92 Cb -0.20 -3.19 0.01 0.00 0.01 0.00 0.00 42.46 39.08 1y9x s ILE 92 CO -0.01 0.11 -0.19 0.00 0.00 0.00 0.00 174.94 174.85 1y9x s ALA 93 N 1.58 2.34 0.15 9.38 0.00 -0.77 -0.45 121.76 133.99 1y9x s ALA 93 Ca 0.04 -1.08 0.10 0.00 0.00 0.00 0.00 51.96 51.02 1y9x s ALA 93 Cb -0.17 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 1y9x s ALA 93 CO 0.05 -0.03 -0.23 0.96 0.00 0.00 0.00 175.76 176.50 1y9x s ILE 94 N 0.82 2.04 -0.26 0.00 -4.36 -1.07 -0.73 121.20 117.65 1y9x s ILE 94 Ca -0.06 -1.81 0.02 0.00 -0.26 0.00 0.00 60.65 58.54 1y9x s ILE 94 Cb -0.15 -1.88 0.06 0.00 1.25 0.00 0.00 42.46 41.74 1y9x s ILE 94 CO -0.01 -0.09 -0.08 -0.60 0.24 0.00 0.00 174.94 174.40 1y9x s ARG 95 N -2.34 1.93 0.13 0.37 3.52 0.87 -2.47 118.95 120.96 1y9x s ARG 95 Ca 0.14 -1.23 -0.30 0.00 -0.13 0.00 0.00 55.73 54.21 1y9x s ARG 95 Cb -0.09 -2.78 -0.06 0.00 -1.56 0.00 0.00 34.95 30.47 1y9x s ARG 95 CO 0.07 -0.61 0.98 0.15 -0.81 0.00 0.00 175.30 175.08 1y9x s LYS 96 N 1.21 4.69 0.00 5.12 -0.14 0.53 -2.31 119.74 128.84 1y9x s LYS 96 Ca -0.06 1.50 0.00 0.00 -1.36 0.00 0.00 55.97 56.04 1y9x s LYS 96 Cb -0.19 -3.36 0.00 0.00 -1.68 0.00 0.00 37.83 32.60 1y9x s LYS 96 CO -0.06 0.21 0.36 0.36 -0.76 0.00 0.00 175.35 175.46