#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 -5.43 -0.08 3.17 3.41 -1.26 -4.71 113.62 108.72 1y9x n SER 2 Ca 0.00 0.44 -0.10 0.00 -0.26 0.00 0.00 58.87 58.95 1y9x n SER 2 Cb 0.00 -1.29 -0.05 0.00 -0.26 0.00 0.00 64.21 62.61 1y9x n SER 2 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1y9x h SER 3 N -0.38 0.00 -2.47 4.04 0.02 -2.07 -3.49 113.55 109.20 1y9x h SER 3 Ca 0.01 -0.17 -0.56 0.00 -0.84 0.00 0.00 61.79 60.23 1y9x h SER 3 Cb 0.38 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.78 1y9x h SER 3 CO 0.00 1.00 -0.73 -0.83 -1.14 0.00 0.00 176.83 175.14 1y9x s GLY 4 N -4.44 1.84 -0.56 -3.77 0.00 -1.26 -5.10 107.32 94.02 1y9x s GLY 4 Ca -0.19 -1.88 -0.13 0.00 0.00 0.00 0.00 44.72 42.52 1y9x s GLY 4 CO 0.34 -1.92 0.49 -0.51 0.00 0.00 0.00 173.10 171.50 1y9x s THR 5 N -2.70 4.89 0.18 0.90 -4.23 -1.26 -5.06 115.64 108.36 1y9x s THR 5 Ca 0.29 -1.78 0.02 0.00 -1.18 0.00 0.00 61.69 59.04 1y9x s THR 5 Cb -0.01 -4.15 0.03 0.00 1.34 0.00 0.00 72.50 69.71 1y9x s THR 5 CO 0.13 -0.86 0.24 -0.81 -0.54 0.00 0.00 174.62 172.78 1y9x n PRO 6 N 4.90 0.77 -3.78 3.99 -0.04 -1.26 -5.08 135.00 134.49 1y9x n PRO 6 Ca -0.07 -0.86 -0.34 0.00 -0.04 0.00 0.00 63.50 62.18 1y9x n PRO 6 Cb 0.41 -0.10 -0.10 0.00 -0.04 0.00 0.00 33.50 33.67 1y9x n PRO 6 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1y9x s THR 7 N -0.20 3.44 -0.55 0.52 -4.23 -1.26 -5.04 115.64 108.32 1y9x s THR 7 Ca 0.18 -3.33 -0.18 0.00 -1.18 0.00 0.00 61.69 57.18 1y9x s THR 7 Cb -0.01 -3.25 0.09 0.00 1.34 0.00 0.00 72.50 70.67 1y9x s THR 7 CO 0.11 -0.90 0.62 -2.16 -0.54 0.00 0.00 174.62 171.75 1y9x s PRO 8 N -0.46 3.05 0.10 3.99 0.04 -1.26 -4.80 135.00 135.65 1y9x s PRO 8 Ca 0.19 -1.28 0.00 0.00 0.04 0.00 0.00 61.00 59.95 1y9x s PRO 8 Cb -0.18 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.14 1y9x s PRO 8 CO -0.05 -1.37 0.00 0.45 0.04 0.00 0.00 177.00 176.07 1y9x n SER 9 N 6.00 -0.04 -0.79 6.66 2.88 -1.26 -4.94 113.62 122.13 1y9x n SER 9 Ca -0.10 0.17 0.08 0.00 -1.33 0.00 0.00 58.87 57.69 1y9x n SER 9 Cb 0.43 0.13 0.24 0.00 -0.75 0.00 0.00 64.21 64.26 1y9x n SER 9 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1y9x n ASN 10 N -2.84 3.66 -4.81 -3.46 5.03 -1.26 -4.96 115.26 106.61 1y9x n ASN 10 Ca 0.00 -2.92 -0.31 0.00 0.87 0.00 0.00 54.58 52.21 1y9x n ASN 10 Cb 0.00 -0.50 -0.06 0.00 -1.02 0.00 0.00 39.78 38.20 1y9x n ASN 10 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1y9x s VAL 11 N -2.65 4.81 -0.03 2.41 -7.23 -1.26 -2.88 120.40 113.58 1y9x s VAL 11 Ca 0.39 -0.55 0.02 0.00 -1.81 0.00 0.00 61.98 60.03 1y9x s VAL 11 Cb 0.31 -3.29 0.01 0.00 0.56 0.00 0.00 36.38 33.97 1y9x s VAL 11 CO 0.09 0.21 -0.09 0.54 -0.31 0.00 0.00 175.10 175.54 1y9x s VAL 12 N -1.35 0.79 -0.13 1.32 0.11 -0.95 -5.01 120.40 115.18 1y9x s VAL 12 Ca 0.28 -0.35 -0.14 0.00 -2.93 0.00 0.00 61.98 58.84 1y9x s VAL 12 Cb -0.12 -0.71 -0.05 0.00 -1.53 0.00 0.00 36.38 33.97 1y9x s VAL 12 CO 0.21 0.25 0.33 -0.76 -3.33 0.00 0.00 175.10 171.79 1y9x s LEU 13 N 0.27 4.29 -0.41 2.54 2.01 -1.26 -1.36 118.68 124.76 1y9x s LEU 13 Ca -0.04 0.62 -0.18 0.00 0.01 0.00 0.00 54.13 54.53 1y9x s LEU 13 Cb -0.09 -2.43 0.02 0.00 0.01 0.00 0.00 46.19 43.69 1y9x s LEU 13 CO 0.01 0.14 0.52 -0.63 1.01 0.00 0.00 176.35 177.40 1y9x s ILE 14 N 0.14 4.99 0.00 -0.59 -1.09 -1.11 -4.67 121.20 118.87 1y9x s ILE 14 Ca 0.19 -0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 1y9x s ILE 14 Cb -0.14 -4.07 0.00 0.00 -1.58 0.00 0.00 42.46 36.67 1y9x s ILE 14 CO 0.06 -0.43 0.00 0.61 -1.23 0.00 0.00 174.94 173.95 1y9x n GLY 15 N 5.02 0.00 0.65 6.18 0.00 -1.26 -4.53 105.19 111.25 1y9x n GLY 15 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1y9x n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y9x n LYS 16 N 0.00 0.00 -3.03 1.61 4.76 -1.26 -5.14 118.16 115.10 1y9x n LYS 16 Ca 0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 1y9x n LYS 16 Cb 0.00 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.20 1y9x n LYS 16 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1y9x s LYS 17 N -0.36 2.84 0.97 1.97 1.02 -1.26 -5.09 119.74 119.83 1y9x s LYS 17 Ca 0.00 -1.17 -0.11 0.00 0.02 0.00 0.00 55.97 54.71 1y9x s LYS 17 Cb 0.00 -2.74 0.17 0.00 -0.52 0.00 0.00 37.83 34.73 1y9x s LYS 17 CO 0.00 -0.27 1.06 -2.30 -0.92 0.00 0.00 175.35 172.92 1y9x n PRO 18 N -1.87 -0.83 -0.18 -1.68 -0.02 -1.26 -4.89 135.00 124.27 1y9x n PRO 18 Ca 0.07 -0.19 0.27 0.00 -2.02 0.00 0.00 63.50 61.63 1y9x n PRO 18 Cb 0.59 -2.30 0.69 0.00 -0.02 0.00 0.00 33.50 32.46 1y9x n PRO 18 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1y9x h VAL 19 N -2.03 0.58 0.00 -1.45 3.04 -1.98 -1.61 116.25 112.80 1y9x h VAL 19 Ca -0.47 -0.02 -0.02 0.00 -1.01 0.00 0.00 66.70 65.18 1y9x h VAL 19 Cb 1.28 0.51 -0.00 0.00 -2.01 0.00 0.00 31.29 31.07 1y9x h VAL 19 CO 0.42 0.01 -0.10 0.00 -1.01 0.00 0.00 177.57 176.89 1y9x h MET 20 N 0.07 0.00 0.00 4.17 -0.00 -2.00 -1.76 114.93 115.41 1y9x h MET 20 Ca 0.42 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.94 1y9x h MET 20 Cb 1.58 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.16 1y9x h MET 20 CO -0.04 0.10 -0.85 -0.97 -0.00 0.00 0.00 176.91 175.15 1y9x h ASN 21 N 0.00 0.12 0.40 -0.10 -1.24 -1.63 -3.01 115.58 110.12 1y9x h ASN 21 Ca -0.00 -0.10 -0.26 0.00 0.71 0.00 0.00 56.30 56.65 1y9x h ASN 21 Cb 0.22 -0.04 0.01 0.00 0.73 0.00 0.00 38.32 39.24 1y9x h ASN 21 CO 0.01 0.92 -1.12 1.88 -1.29 0.00 0.00 177.43 177.83 1y9x h TYR 22 N 0.05 0.65 0.08 0.67 0.05 -1.47 -2.00 116.97 115.00 1y9x h TYR 22 Ca -0.03 -0.41 -0.00 0.00 0.05 0.00 0.00 58.73 58.34 1y9x h TYR 22 Cb 1.49 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 39.17 1y9x h TYR 22 CO 0.01 1.27 -0.04 0.28 -1.05 0.00 0.00 178.16 178.63 1y9x h VAL 23 N 0.18 0.96 0.00 -2.88 2.07 -1.47 -0.67 116.25 114.43 1y9x h VAL 23 Ca -0.12 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 1y9x h VAL 23 Cb 1.80 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1y9x h VAL 23 CO 0.20 0.03 -0.31 -0.07 0.02 0.00 0.00 177.57 177.43 1y9x h LEU 24 N -0.17 0.00 -0.23 2.57 4.07 -1.59 -2.52 115.31 117.44 1y9x h LEU 24 Ca -0.01 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.87 1y9x h LEU 24 Cb 0.14 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 1y9x h LEU 24 CO 0.02 0.31 -0.15 0.00 -1.08 0.00 0.00 178.44 177.54 1y9x h ALA 25 N 1.69 0.33 0.00 1.53 0.00 -0.99 -0.83 119.26 120.99 1y9x h ALA 25 Ca -0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1y9x h ALA 25 Cb 0.73 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1y9x h ALA 25 CO 0.04 0.22 -0.12 0.00 0.00 0.00 0.00 179.25 179.39 1y9x h ALA 26 N 0.70 1.24 0.05 0.00 0.00 -0.87 -0.09 119.26 120.30 1y9x h ALA 26 Ca 0.05 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1y9x h ALA 26 Cb 0.67 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1y9x h ALA 26 CO 0.04 0.15 -0.54 -0.07 0.00 0.00 0.00 179.25 178.83 1y9x h LEU 27 N 0.00 0.38 -1.21 0.00 3.38 -1.27 -3.26 115.31 113.34 1y9x h LEU 27 Ca -0.00 -0.87 -0.05 0.00 0.09 0.00 0.00 57.88 57.06 1y9x h LEU 27 Cb 0.36 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1y9x h LEU 27 CO 0.02 1.21 0.05 0.74 0.09 0.00 0.00 178.44 180.54 1y9x h THR 28 N -0.39 1.20 -0.46 0.22 2.02 -0.52 -1.79 112.91 113.18 1y9x h THR 28 Ca -0.08 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.33 1y9x h THR 28 Cb 1.34 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 1y9x h THR 28 CO 0.10 0.26 0.21 -0.07 0.37 0.00 0.00 175.52 176.40 1y9x h LEU 29 N 0.57 0.57 -1.26 2.58 3.38 -1.14 -2.35 115.31 117.67 1y9x h LEU 29 Ca 0.13 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1y9x h LEU 29 Cb 0.29 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1y9x h LEU 29 CO 0.00 0.50 -0.30 0.25 0.09 0.00 0.00 178.44 178.99 1y9x h LEU 30 N 0.64 0.11 -1.64 1.67 5.85 -1.36 -1.37 115.31 119.22 1y9x h LEU 30 Ca 0.16 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1y9x h LEU 30 Cb 0.09 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1y9x h LEU 30 CO -0.02 0.42 -0.12 -1.13 -0.34 0.00 0.00 178.44 177.24 1y9x h ASN 31 N 0.10 0.00 1.57 1.25 -0.73 -1.34 -1.01 115.58 115.43 1y9x h ASN 31 Ca 0.01 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1y9x h ASN 31 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.18 1y9x h ASN 31 CO 0.04 0.12 0.00 1.56 -0.37 0.00 0.00 177.43 178.79 1y9x h GLN 32 N 0.00 0.00 0.00 6.67 4.20 -1.20 -3.47 115.11 121.31 1y9x h GLN 32 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1y9x h GLN 32 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1y9x h GLN 32 CO 0.02 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.59 1y9x n GLY 33 N 1.24 1.44 3.55 3.46 0.00 -0.38 -5.07 105.19 109.43 1y9x n GLY 33 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1y9x n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y9x s VAL 34 N -2.04 4.32 -0.01 1.61 -7.23 -1.18 -4.85 120.40 111.02 1y9x s VAL 34 Ca 0.00 0.56 0.09 0.00 -1.81 0.00 0.00 61.98 60.81 1y9x s VAL 34 Cb 0.00 -4.56 -0.23 0.00 0.56 0.00 0.00 36.38 32.15 1y9x s VAL 34 CO 0.00 -1.10 0.77 0.77 -0.31 0.00 0.00 175.10 175.23 1y9x h SER 35 N 9.31 0.06 -3.49 4.85 4.64 -1.87 -3.32 113.55 123.73 1y9x h SER 35 Ca -0.25 -0.11 -0.72 0.00 -0.47 0.00 0.00 61.79 60.24 1y9x h SER 35 Cb 1.07 -0.02 -0.25 0.00 -0.31 0.00 0.00 62.40 62.89 1y9x h SER 35 CO 1.10 1.10 -0.46 -1.61 -0.87 0.00 0.00 176.83 176.09 1y9x s GLU 36 N -2.62 2.81 0.15 4.77 2.02 -1.26 -0.78 118.70 123.79 1y9x s GLU 36 Ca -0.05 -1.23 0.06 0.00 0.02 0.00 0.00 54.97 53.77 1y9x s GLU 36 Cb 0.08 -3.85 -0.04 0.00 0.10 0.00 0.00 34.13 30.42 1y9x s GLU 36 CO 0.82 -0.84 -0.12 0.96 0.02 0.00 0.00 175.26 176.10 1y9x s ILE 37 N 1.55 1.33 -0.11 -1.63 -0.00 -1.10 -4.99 121.20 116.25 1y9x s ILE 37 Ca 0.03 -1.93 0.01 0.00 -0.00 0.00 0.00 60.65 58.76 1y9x s ILE 37 Cb -0.21 -1.73 0.02 0.00 -0.00 0.00 0.00 42.46 40.53 1y9x s ILE 37 CO 0.06 -0.58 -0.12 -0.69 -0.00 0.00 0.00 174.94 173.61 1y9x s VAL 38 N -2.74 1.32 -0.22 8.37 1.01 -1.14 -2.49 120.40 124.51 1y9x s VAL 38 Ca 0.14 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 1y9x s VAL 38 Cb -0.01 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 1y9x s VAL 38 CO 0.03 0.41 0.23 -0.63 0.00 0.00 0.00 175.10 175.13 1y9x s ILE 39 N 1.18 5.32 -0.16 2.22 1.01 0.25 -2.25 121.20 128.77 1y9x s ILE 39 Ca -0.03 0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.97 1y9x s ILE 39 Cb -0.14 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.79 1y9x s ILE 39 CO -0.04 0.34 -0.15 -0.54 0.00 0.00 0.00 174.94 174.55 1y9x s LYS 40 N 0.98 2.42 0.22 2.79 1.02 -0.47 -1.01 119.74 125.70 1y9x s LYS 40 Ca 0.11 -0.68 0.11 0.00 0.02 0.00 0.00 55.97 55.53 1y9x s LYS 40 Cb -0.13 -2.27 -0.04 0.00 -0.52 0.00 0.00 37.83 34.86 1y9x s LYS 40 CO 0.04 -0.26 -0.16 0.00 -0.92 0.00 0.00 175.35 174.05 1y9x s ALA 41 N 1.42 2.79 0.03 5.17 0.00 -0.84 -2.77 121.76 127.57 1y9x s ALA 41 Ca 0.04 -1.66 0.03 0.00 0.00 0.00 0.00 51.96 50.37 1y9x s ALA 41 Cb -0.13 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1y9x s ALA 41 CO -0.11 0.38 -0.09 1.03 0.00 0.00 0.00 175.76 176.97 1y9x s ARG 42 N -3.07 0.58 5.71 0.00 0.52 -1.26 -1.14 118.95 120.29 1y9x s ARG 42 Ca 0.26 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 1y9x s ARG 42 Cb -0.07 -0.45 0.00 0.00 0.52 0.00 0.00 34.95 34.95 1y9x s ARG 42 CO 0.14 0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.97 1y9x n GLY 43 N 1.84 1.32 0.31 -3.53 0.00 0.96 -2.52 105.19 103.57 1y9x n GLY 43 Ca -0.20 -0.62 0.08 0.00 0.00 0.00 0.00 46.02 45.29 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 12.67 1.40 0.00 1.61 1.85 -1.26 -3.54 116.66 129.38 1y9x n ARG 44 Ca 0.00 -0.61 0.15 0.00 -1.00 0.00 0.00 57.85 56.39 1y9x n ARG 44 Cb 0.00 -1.29 0.78 0.00 -1.05 0.00 0.00 32.46 30.90 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 -0.13 2.61 -0.00 2.89 0.00 -1.05 -3.50 120.51 121.33 1y9x n ALA 45 Ca 0.13 -0.20 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1y9x n ALA 45 Cb 0.19 -1.45 0.54 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 0.21 0.93 -0.59 0.00 2.04 -1.76 -1.35 117.51 116.99 1y9x h ILE 46 Ca 0.00 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1y9x h ILE 46 Cb 0.22 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1y9x h ILE 46 CO 0.00 0.06 0.33 0.77 0.00 0.00 0.00 178.15 179.31 1y9x h SER 47 N 0.31 0.73 -0.20 1.72 4.64 -1.88 -2.62 113.55 116.25 1y9x h SER 47 Ca 0.21 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.33 1y9x h SER 47 Cb 0.41 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1y9x h SER 47 CO -0.05 0.61 -0.23 0.11 -0.87 0.00 0.00 176.83 176.40 1y9x h LYS 48 N 0.80 0.67 -0.25 4.77 1.57 -1.51 -2.18 116.57 120.44 1y9x h LYS 48 Ca 0.21 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1y9x h LYS 48 Cb 0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1y9x h LYS 48 CO -0.04 0.84 0.10 0.00 -0.57 0.00 0.00 179.45 179.79 1y9x h ALA 49 N 1.16 0.33 -0.17 3.86 0.00 -1.17 0.75 119.26 124.02 1y9x h ALA 49 Ca 0.08 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1y9x h ALA 49 Cb 0.71 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1y9x h ALA 49 CO 0.05 -0.08 -0.58 -0.24 0.00 0.00 0.00 179.25 178.41 1y9x h VAL 50 N 0.26 1.33 -0.35 0.00 3.04 -1.47 -2.70 116.25 116.35 1y9x h VAL 50 Ca 0.08 -1.85 -0.01 0.00 -1.01 0.00 0.00 66.70 63.91 1y9x h VAL 50 Cb 0.18 1.82 -0.02 0.00 -2.01 0.00 0.00 31.29 31.26 1y9x h VAL 50 CO -0.01 0.57 0.17 -0.78 -1.01 0.00 0.00 177.57 176.51 1y9x h ASP 51 N 0.42 0.46 0.14 3.17 3.58 -1.22 -1.16 116.42 121.80 1y9x h ASP 51 Ca 0.00 -0.13 0.01 0.00 0.42 0.00 0.00 57.03 57.33 1y9x h ASP 51 Cb 1.14 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 42.04 1y9x h ASP 51 CO 0.11 0.46 -0.21 0.74 -2.88 0.00 0.00 179.24 177.46 1y9x h THR 52 N 0.43 0.52 -0.26 2.25 2.02 -0.77 -1.43 112.91 115.67 1y9x h THR 52 Ca 0.12 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.21 1y9x h THR 52 Cb 0.12 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1y9x h THR 52 CO -0.01 0.00 -0.23 -0.37 0.37 0.00 0.00 175.52 175.27 1y9x h VAL 53 N -0.41 1.26 -0.60 3.16 -1.51 -1.36 -2.62 116.25 114.16 1y9x h VAL 53 Ca 0.02 -1.23 -0.08 0.00 -1.23 0.00 0.00 66.70 64.18 1y9x h VAL 53 Cb 0.42 1.32 -0.02 0.00 -2.13 0.00 0.00 31.29 30.88 1y9x h VAL 53 CO -0.10 0.39 0.05 -0.08 -1.23 0.00 0.00 177.57 176.59 1y9x h GLU 54 N 0.43 1.03 -0.70 5.19 4.57 -0.96 -2.58 114.58 121.55 1y9x h GLU 54 Ca 0.07 -0.30 0.01 0.00 -1.18 0.00 0.00 59.36 57.95 1y9x h GLU 54 Cb 0.64 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 1y9x h GLU 54 CO 0.05 0.99 0.46 0.82 -1.18 0.00 0.00 179.01 180.15 1y9x h ILE 55 N 0.93 1.18 -0.54 2.32 2.04 -0.99 -2.77 117.51 119.69 1y9x h ILE 55 Ca 0.18 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1y9x h ILE 55 Cb 0.50 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1y9x h ILE 55 CO 0.02 0.18 0.35 0.58 0.00 0.00 0.00 178.15 179.28 1y9x h VAL 56 N 0.95 1.14 -0.00 1.67 2.07 -1.20 -2.49 116.25 118.39 1y9x h VAL 56 Ca 0.26 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1y9x h VAL 56 Cb -0.10 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1y9x h VAL 56 CO -0.05 0.13 -0.00 -2.11 0.02 0.00 0.00 177.57 175.56 1y9x n ARG 57 N -4.71 0.75 -0.12 1.57 1.85 -1.00 -2.11 116.66 112.89 1y9x n ARG 57 Ca 0.03 -0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.97 1y9x n ARG 57 Cb 0.02 -1.50 0.14 0.00 -1.05 0.00 0.00 32.46 30.07 1y9x n ARG 57 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1y9x n ASN 58 N -1.13 2.25 0.13 2.89 4.13 -0.97 -3.75 115.26 118.81 1y9x n ASN 58 Ca 0.20 -3.12 0.00 0.00 1.68 0.00 0.00 54.58 53.34 1y9x n ASN 58 Cb 0.17 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 37.98 1y9x n ASN 58 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1y9x n ARG 59 N -1.38 0.00 -0.09 3.52 0.63 -1.04 -5.01 116.66 113.28 1y9x n ARG 59 Ca 0.16 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.94 1y9x n ARG 59 Cb 0.65 -0.01 -0.07 0.00 0.45 0.00 0.00 32.46 33.48 1y9x n ARG 59 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1y9x n PHE 60 N -3.36 0.78 -4.03 -0.14 7.35 -0.90 -4.79 117.46 112.38 1y9x n PHE 60 Ca 0.00 0.34 -0.32 0.00 -0.76 0.00 0.00 57.45 56.71 1y9x n PHE 60 Cb 0.00 -0.91 -0.15 0.00 0.35 0.00 0.00 39.48 38.77 1y9x n PHE 60 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1y9x s LEU 61 N -7.97 3.89 -0.26 -2.13 1.43 -1.17 -4.95 118.68 107.52 1y9x s LEU 61 Ca -0.25 -1.59 -0.10 0.00 -1.03 0.00 0.00 54.13 51.17 1y9x s LEU 61 Cb 0.05 -1.60 -0.15 0.00 0.03 0.00 0.00 46.19 44.52 1y9x s LEU 61 CO 0.42 -0.26 -0.21 0.00 0.23 0.00 0.00 176.35 176.53 1y9x n ALA 62 N 4.42 1.20 -0.25 4.21 0.00 -1.25 -4.02 120.51 124.83 1y9x n ALA 62 Ca -0.09 -1.01 0.08 0.00 0.00 0.00 0.00 53.44 52.42 1y9x n ALA 62 Cb 0.42 -0.06 0.22 0.00 0.00 0.00 0.00 19.45 20.03 1y9x n ALA 62 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1y9x n ASP 63 N -3.94 3.34 -1.08 0.00 5.75 -1.26 -4.50 116.55 114.85 1y9x n ASP 63 Ca -0.48 -2.00 0.05 0.00 -0.01 0.00 0.00 54.79 52.35 1y9x n ASP 63 Cb 0.90 -0.33 0.09 0.00 -1.03 0.00 0.00 41.12 40.75 1y9x n ASP 63 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1y9x n LYS 64 N 0.98 0.59 -4.35 0.11 5.02 -1.26 -5.02 118.16 114.24 1y9x n LYS 64 Ca 0.17 -2.41 -0.20 0.00 -2.02 0.00 0.00 58.31 53.84 1y9x n LYS 64 Cb 0.51 -0.64 -0.16 0.00 -0.02 0.00 0.00 35.03 34.72 1y9x n LYS 64 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1y9x s ILE 65 N -1.22 0.73 0.24 -0.18 2.07 -1.26 -2.95 121.20 118.63 1y9x s ILE 65 Ca 0.33 -0.31 0.10 0.00 -1.41 0.00 0.00 60.65 59.36 1y9x s ILE 65 Cb 0.36 -0.67 -0.04 0.00 0.13 0.00 0.00 42.46 42.23 1y9x s ILE 65 CO -0.12 0.24 -0.11 -1.61 -1.91 0.00 0.00 174.94 171.44 1y9x s GLU 66 N 0.33 1.99 -0.25 3.50 2.02 0.87 -4.98 118.70 122.19 1y9x s GLU 66 Ca -0.05 -1.48 -0.10 0.00 0.02 0.00 0.00 54.97 53.35 1y9x s GLU 66 Cb -0.10 -2.03 -0.05 0.00 0.10 0.00 0.00 34.13 32.06 1y9x s GLU 66 CO 0.01 0.38 0.16 0.42 0.02 0.00 0.00 175.26 176.25 1y9x s ILE 67 N -2.14 5.27 -0.09 -1.63 1.01 -1.26 -0.24 121.20 122.13 1y9x s ILE 67 Ca 0.28 0.15 -0.02 0.00 0.00 0.00 0.00 60.65 61.06 1y9x s ILE 67 Cb -0.07 -3.47 -0.01 0.00 0.01 0.00 0.00 42.46 38.92 1y9x s ILE 67 CO 0.16 0.32 -0.04 0.50 0.00 0.00 0.00 174.94 175.88 1y9x h LYS 68 N 7.79 0.00 -2.36 2.79 3.64 -1.27 -3.46 116.57 123.70 1y9x h LYS 68 Ca -0.37 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.93 1y9x h LYS 68 Cb 1.18 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.78 1y9x h LYS 68 CO 0.62 0.00 -0.04 -2.00 -2.27 0.00 0.00 179.45 175.76 1y9x s GLU 69 N -1.60 0.70 -0.10 1.90 2.12 -1.00 -5.03 118.70 115.68 1y9x s GLU 69 Ca -0.03 0.71 -0.00 0.00 0.36 0.00 0.00 54.97 56.00 1y9x s GLU 69 Cb 0.00 0.34 0.02 0.00 0.26 0.00 0.00 34.13 34.76 1y9x s GLU 69 CO 0.05 -0.10 -0.07 0.96 -0.54 0.00 0.00 175.26 175.55 1y9x s ILE 70 N 0.11 0.97 0.02 -3.70 -4.36 -1.26 -1.08 121.20 111.90 1y9x s ILE 70 Ca -0.02 -0.27 0.03 0.00 -0.26 0.00 0.00 60.65 60.14 1y9x s ILE 70 Cb -0.04 -0.98 -0.02 0.00 1.25 0.00 0.00 42.46 42.67 1y9x s ILE 70 CO 0.02 0.35 -0.10 -0.13 0.24 0.00 0.00 174.94 175.32 1y9x s ARG 71 N 1.58 0.72 -0.07 0.37 0.52 -0.59 -5.02 118.95 116.46 1y9x s ARG 71 Ca 0.02 -0.58 -0.12 0.00 -0.52 0.00 0.00 55.73 54.53 1y9x s ARG 71 Cb -0.13 -0.66 0.02 0.00 0.52 0.00 0.00 34.95 34.71 1y9x s ARG 71 CO -0.06 0.16 0.29 0.54 0.02 0.00 0.00 175.30 176.25 1y9x s VAL 72 N -0.74 0.03 0.00 3.52 0.11 -1.26 -0.31 120.40 121.75 1y9x s VAL 72 Ca -0.01 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 1y9x s VAL 72 Cb -0.07 -0.51 0.00 0.00 -1.53 0.00 0.00 36.38 34.28 1y9x s VAL 72 CO 0.01 -0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.25 1y9x n GLY 73 N 2.13 1.42 3.67 6.54 0.00 -0.02 -5.00 105.19 113.93 1y9x n GLY 73 Ca -0.17 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 1y9x n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y9x s SER 74 N 0.00 7.15 -0.26 1.61 0.15 -1.26 0.06 113.70 121.15 1y9x s SER 74 Ca 0.00 1.51 -0.11 0.00 0.70 0.00 0.00 55.95 58.04 1y9x s SER 74 Cb 0.00 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.71 1y9x s SER 74 CO 0.00 -0.57 0.21 -1.58 1.20 0.00 0.00 173.24 172.50 1y9x s GLN 75 N 2.62 4.02 -0.22 5.44 2.00 0.35 -4.83 119.66 129.03 1y9x s GLN 75 Ca 0.48 -0.23 -0.27 0.00 -2.00 0.00 0.00 55.36 53.33 1y9x s GLN 75 Cb -0.18 -3.61 0.00 0.00 0.80 0.00 0.00 33.01 30.03 1y9x s GLN 75 CO 0.13 -0.09 0.95 0.08 -0.50 0.00 0.00 175.29 175.86 1y9x s VAL 76 N 1.50 4.75 0.03 1.34 1.01 -1.26 -2.29 120.40 125.48 1y9x s VAL 76 Ca 0.09 1.85 0.04 0.00 0.00 0.00 0.00 61.98 63.95 1y9x s VAL 76 Cb -0.15 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 1y9x s VAL 76 CO 0.08 -0.12 -0.11 0.68 0.00 0.00 0.00 175.10 175.64 1y9x s VAL 77 N 2.91 0.85 -0.17 2.92 -7.23 -0.22 -4.96 120.40 114.49 1y9x s VAL 77 Ca 0.41 -0.88 -0.19 0.00 -1.81 0.00 0.00 61.98 59.51 1y9x s VAL 77 Cb -0.15 -0.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.96 1y9x s VAL 77 CO 0.08 -0.07 0.54 0.42 -0.31 0.00 0.00 175.10 175.76 1y9x s THR 78 N -0.85 5.10 -0.23 5.32 -4.23 -1.26 0.04 115.64 119.54 1y9x s THR 78 Ca -0.01 1.03 0.18 0.00 -1.18 0.00 0.00 61.69 61.70 1y9x s THR 78 Cb -0.07 -3.87 0.15 0.00 1.34 0.00 0.00 72.50 70.05 1y9x s THR 78 CO 0.01 0.20 1.51 0.28 -0.54 0.00 0.00 174.62 176.07 1y9x h SER 79 N 7.26 0.00 0.00 3.99 0.02 -1.22 -3.46 113.55 120.13 1y9x h SER 79 Ca -0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1y9x h SER 79 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1y9x h SER 79 CO 0.75 0.35 0.00 0.00 -1.14 0.00 0.00 176.83 176.79 1y9x n GLN 80 N -3.20 0.00 -0.01 3.45 1.13 -1.26 -5.02 117.38 112.47 1y9x n GLN 80 Ca 0.02 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.07 1y9x n GLN 80 Cb 0.67 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 31.01 1y9x n GLN 80 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1y9x n ASP 81 N 0.00 0.45 -0.09 1.08 9.92 -1.26 -4.86 116.55 121.79 1y9x n ASP 81 Ca 0.00 0.07 0.03 0.00 -0.53 0.00 0.00 54.79 54.36 1y9x n ASP 81 Cb 0.00 -0.42 0.04 0.00 -0.64 0.00 0.00 41.12 40.10 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 2.10 1.95 3.55 0.44 0.00 -1.26 -4.93 105.19 107.04 1y9x n GLY 82 Ca -0.03 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.17 3.11 -0.50 1.61 3.52 -1.26 -4.94 118.95 119.32 1y9x s ARG 83 Ca 0.09 -0.31 -0.24 0.00 -0.13 0.00 0.00 55.73 55.14 1y9x s ARG 83 Cb 0.08 -4.63 0.03 0.00 -1.56 0.00 0.00 34.95 28.87 1y9x s ARG 83 CO 0.01 -2.42 0.91 -0.65 -0.81 0.00 0.00 175.30 172.33 1y9x s GLN 84 N 5.94 3.41 -0.27 5.12 -0.21 -1.26 -0.58 119.66 131.81 1y9x s GLN 84 Ca 0.48 -0.10 -0.12 0.00 0.02 0.00 0.00 55.36 55.64 1y9x s GLN 84 Cb -0.07 -3.99 -0.05 0.00 1.00 0.00 0.00 33.01 29.91 1y9x s GLN 84 CO 0.08 -1.33 0.25 -1.12 -2.12 0.00 0.00 175.29 171.05 1y9x s SER 85 N 2.52 6.13 -0.35 5.90 0.01 0.11 -4.89 113.70 123.13 1y9x s SER 85 Ca 0.32 0.13 -0.11 0.00 1.31 0.00 0.00 55.95 57.60 1y9x s SER 85 Cb -0.12 -2.15 0.01 0.00 0.21 0.00 0.00 66.02 63.97 1y9x s SER 85 CO 0.22 -0.08 0.20 -0.13 0.41 0.00 0.00 173.24 173.87 1y9x s ARG 86 N 1.72 3.15 -0.03 12.44 3.00 -1.26 -1.06 118.95 136.92 1y9x s ARG 86 Ca 0.10 -0.86 0.05 0.00 0.00 0.00 0.00 55.73 55.02 1y9x s ARG 86 Cb -0.15 -3.71 -0.01 0.00 0.00 0.00 0.00 34.95 31.08 1y9x s ARG 86 CO 0.09 -0.55 -0.17 0.08 0.00 0.00 0.00 175.30 174.75 1y9x s VAL 87 N 1.62 1.38 -0.01 3.52 1.01 -0.97 -4.90 120.40 122.05 1y9x s VAL 87 Ca 0.04 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 1y9x s VAL 87 Cb -0.18 -1.17 -0.07 0.00 0.00 0.00 0.00 36.38 34.96 1y9x s VAL 87 CO 0.08 0.40 1.71 -0.94 0.00 0.00 0.00 175.10 176.34 1y9x s SER 88 N -0.21 6.61 0.18 3.32 1.04 -1.26 -0.50 113.70 122.88 1y9x s SER 88 Ca 0.02 2.37 0.07 0.00 0.48 0.00 0.00 55.95 58.90 1y9x s SER 88 Cb -0.09 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.45 1y9x s SER 88 CO 0.01 -0.94 -0.14 0.42 0.98 0.00 0.00 173.24 173.56 1y9x s THR 89 N 3.80 1.61 -0.01 2.02 -4.23 0.11 -0.03 115.64 118.91 1y9x s THR 89 Ca 0.76 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 1y9x s THR 89 Cb -0.37 -1.92 0.02 0.00 1.34 0.00 0.00 72.50 71.58 1y9x s THR 89 CO 0.32 -0.55 0.01 -0.51 -0.54 0.00 0.00 174.62 173.35 1y9x s ILE 90 N -2.78 0.02 -0.27 2.99 2.07 -0.29 -0.85 121.20 122.09 1y9x s ILE 90 Ca 0.19 0.10 -0.02 0.00 -1.41 0.00 0.00 60.65 59.51 1y9x s ILE 90 Cb -0.02 -0.10 0.04 0.00 0.13 0.00 0.00 42.46 42.51 1y9x s ILE 90 CO 0.05 0.07 -0.03 -1.61 -1.91 0.00 0.00 174.94 171.51 1y9x s GLU 91 N 0.63 2.67 -0.24 3.50 2.02 0.58 -1.98 118.70 125.88 1y9x s GLU 91 Ca -0.05 -1.10 -0.04 0.00 0.02 0.00 0.00 54.97 53.80 1y9x s GLU 91 Cb -0.08 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 31.07 1y9x s GLU 91 CO -0.02 -0.49 -0.02 0.42 0.02 0.00 0.00 175.26 175.17 1y9x s ILE 92 N 1.30 3.37 -0.12 -1.63 1.01 -0.18 -1.54 121.20 123.41 1y9x s ILE 92 Ca -0.02 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1y9x s ILE 92 Cb -0.18 -2.62 -0.01 0.00 0.01 0.00 0.00 42.46 39.66 1y9x s ILE 92 CO -0.03 0.30 -0.16 0.00 0.00 0.00 0.00 174.94 175.05 1y9x s ALA 93 N 1.45 2.51 0.13 9.38 0.00 -0.24 -0.58 121.76 134.41 1y9x s ALA 93 Ca 0.04 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.14 1y9x s ALA 93 Cb -0.15 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1y9x s ALA 93 CO -0.02 0.26 -0.11 0.96 0.00 0.00 0.00 175.76 176.84 1y9x s ILE 94 N 0.34 1.19 -0.14 0.00 -0.00 -1.04 -0.80 121.20 120.75 1y9x s ILE 94 Ca -0.13 -1.89 0.01 0.00 -0.00 0.00 0.00 60.65 58.65 1y9x s ILE 94 Cb -0.16 -1.67 0.02 0.00 -0.00 0.00 0.00 42.46 40.65 1y9x s ILE 94 CO 0.07 -0.61 -0.18 -0.60 -0.00 0.00 0.00 174.94 173.61 1y9x s ARG 95 N -3.25 2.64 0.37 0.37 3.52 0.67 -2.71 118.95 120.56 1y9x s ARG 95 Ca 0.12 -0.71 -0.05 0.00 -0.13 0.00 0.00 55.73 54.97 1y9x s ARG 95 Cb -0.01 -2.25 0.08 0.00 -1.56 0.00 0.00 34.95 31.22 1y9x s ARG 95 CO 0.01 -0.12 0.50 1.63 -0.81 0.00 0.00 175.30 176.52 1y9x n LYS 96 N 4.38 -0.25 0.00 5.12 4.76 0.04 -0.09 118.16 132.12 1y9x n LYS 96 Ca -0.19 -0.93 0.00 0.00 -2.87 0.00 0.00 58.31 54.32 1y9x n LYS 96 Cb 0.51 -0.46 0.02 0.00 -1.84 0.00 0.00 35.03 33.25 1y9x n LYS 96 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39