#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9x h SER 2 N 0.00 0.46 -1.72 7.83 0.87 -2.08 -3.47 113.55 115.44 1y9x h SER 2 Ca 0.00 -0.41 -0.03 0.00 -1.23 0.00 0.00 61.79 60.12 1y9x h SER 2 Cb 0.00 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1y9x h SER 2 CO 0.00 1.25 -0.00 -1.54 -0.53 0.00 0.00 176.83 176.00 1y9x n SER 3 N -3.66 -0.21 0.00 6.23 3.41 -1.26 -5.16 113.62 112.98 1y9x n SER 3 Ca -0.07 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 1y9x n SER 3 Cb 0.90 0.37 0.00 0.00 -0.26 0.00 0.00 64.21 65.22 1y9x n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y9x n GLY 4 N -0.07 -1.38 3.49 5.00 0.00 -1.26 -4.86 105.19 106.10 1y9x n GLY 4 Ca -0.00 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 1y9x n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y9x s THR 5 N 0.00 4.73 -2.20 2.61 2.01 -1.26 -4.90 115.64 116.64 1y9x s THR 5 Ca 0.00 -0.08 0.19 0.00 0.31 0.00 0.00 61.69 62.11 1y9x s THR 5 Cb 0.00 -4.33 0.45 0.00 0.01 0.00 0.00 72.50 68.63 1y9x s THR 5 CO 0.00 -0.81 1.43 -0.81 -0.69 0.00 0.00 174.62 173.74 1y9x n PRO 6 N 6.53 2.13 -3.06 4.92 -0.04 -1.26 -4.97 135.00 139.24 1y9x n PRO 6 Ca -0.03 -1.72 -0.05 0.00 -0.04 0.00 0.00 63.50 61.66 1y9x n PRO 6 Cb 0.47 -1.42 0.01 0.00 -0.04 0.00 0.00 33.50 32.51 1y9x n PRO 6 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1y9x n THR 7 N 0.91 -5.98 -2.01 0.52 -2.24 -1.26 -5.04 114.28 99.19 1y9x n THR 7 Ca 0.17 0.90 -0.09 0.00 -2.27 0.00 0.00 64.05 62.76 1y9x n THR 7 Cb 0.44 -4.58 0.05 0.00 -2.10 0.00 0.00 70.33 64.14 1y9x n THR 7 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1y9x n PRO 8 N 0.83 0.08 0.00 -0.78 -0.04 -1.26 -5.09 135.00 128.73 1y9x n PRO 8 Ca -0.00 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.57 1y9x n PRO 8 Cb 0.37 -0.32 0.00 0.00 -0.04 0.00 0.00 33.50 33.50 1y9x n PRO 8 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1y9x n SER 9 N -3.08 0.00 -0.14 3.54 7.64 -1.26 -5.01 113.62 115.31 1y9x n SER 9 Ca 0.06 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.97 1y9x n SER 9 Cb 0.21 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.46 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 -0.85 1.33 -4.29 6.43 6.94 -1.26 -5.02 115.26 118.53 1y9x n ASN 10 Ca 0.00 -2.20 -0.32 0.00 -0.02 0.00 0.00 54.58 52.04 1y9x n ASN 10 Cb 0.00 -0.19 -0.16 0.00 -2.36 0.00 0.00 39.78 37.07 1y9x n ASN 10 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1y9x s VAL 11 N -1.25 2.28 -0.05 3.53 -7.23 -1.26 -0.77 120.40 115.65 1y9x s VAL 11 Ca 0.11 -0.97 0.05 0.00 -1.81 0.00 0.00 61.98 59.36 1y9x s VAL 11 Cb 0.10 -1.86 -0.01 0.00 0.56 0.00 0.00 36.38 35.17 1y9x s VAL 11 CO 0.01 0.56 -0.21 0.68 -0.31 0.00 0.00 175.10 175.83 1y9x s VAL 12 N -0.05 1.76 -0.34 1.32 -7.23 -1.00 -5.00 120.40 109.86 1y9x s VAL 12 Ca -0.06 -0.91 -0.15 0.00 -1.81 0.00 0.00 61.98 59.05 1y9x s VAL 12 Cb -0.15 -1.50 -0.01 0.00 0.56 0.00 0.00 36.38 35.28 1y9x s VAL 12 CO 0.05 0.50 0.36 -0.22 -0.31 0.00 0.00 175.10 175.47 1y9x s LEU 13 N -0.10 4.44 -0.74 1.32 2.96 -1.26 -0.95 118.68 124.35 1y9x s LEU 13 Ca -0.03 -0.24 -0.26 0.00 -0.22 0.00 0.00 54.13 53.39 1y9x s LEU 13 Cb -0.12 -2.33 0.04 0.00 0.50 0.00 0.00 46.19 44.28 1y9x s LEU 13 CO 0.03 -0.33 1.22 -0.63 -1.32 0.00 0.00 176.35 175.32 1y9x s ILE 14 N 2.01 3.87 0.00 6.68 -1.09 0.27 -4.71 121.20 128.23 1y9x s ILE 14 Ca 0.12 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.68 1y9x s ILE 14 Cb -0.17 -4.88 0.00 0.00 -1.58 0.00 0.00 42.46 35.84 1y9x s ILE 14 CO 0.12 -1.78 0.00 0.61 -1.23 0.00 0.00 174.94 172.66 1y9x n GLY 15 N 5.47 -1.91 0.00 6.18 0.00 -1.26 -4.20 105.19 109.47 1y9x n GLY 15 Ca 0.04 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.93 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 0.00 -3.53 1.61 2.85 -1.26 -5.17 118.16 112.67 1y9x n LYS 16 Ca 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 1y9x n LYS 16 Cb 0.00 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.37 1y9x n LYS 16 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1y9x s LYS 17 N 0.00 3.13 0.89 -1.58 -0.14 -1.26 -5.11 119.74 115.67 1y9x s LYS 17 Ca 0.00 -1.00 -0.11 0.00 -1.36 0.00 0.00 55.97 53.49 1y9x s LYS 17 Cb 0.00 -2.81 0.13 0.00 -1.68 0.00 0.00 37.83 33.47 1y9x s LYS 17 CO 0.00 0.10 1.09 -1.25 -0.76 0.00 0.00 175.35 174.53 1y9x s PRO 18 N -4.15 1.26 0.22 -1.68 0.04 -1.26 -4.97 135.00 124.45 1y9x s PRO 18 Ca 0.44 0.93 -0.09 0.00 0.04 0.00 0.00 61.00 62.32 1y9x s PRO 18 Cb -0.09 -1.80 0.23 0.00 0.04 0.00 0.00 34.50 32.87 1y9x s PRO 18 CO 0.31 -2.27 1.85 -0.24 0.04 0.00 0.00 177.00 176.69 1y9x h VAL 19 N -1.58 1.08 -0.07 -0.36 3.04 -1.99 -2.54 116.25 113.84 1y9x h VAL 19 Ca -0.49 -0.31 0.02 0.00 -1.01 0.00 0.00 66.70 64.91 1y9x h VAL 19 Cb 1.28 0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 30.66 1y9x h VAL 19 CO 0.53 0.16 0.07 0.00 -1.01 0.00 0.00 177.57 177.32 1y9x h MET 20 N 0.90 0.00 -0.40 4.17 -0.00 -1.97 -1.25 114.93 116.39 1y9x h MET 20 Ca 0.31 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.88 1y9x h MET 20 Cb 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.64 1y9x h MET 20 CO -0.13 0.00 -0.25 -0.97 -0.00 0.00 0.00 176.91 175.57 1y9x h ASN 21 N 0.00 0.83 0.63 -0.10 -1.24 -1.83 -2.27 115.58 111.60 1y9x h ASN 21 Ca 0.03 -0.31 -0.22 0.00 0.71 0.00 0.00 56.30 56.51 1y9x h ASN 21 Cb 0.17 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 1y9x h ASN 21 CO -0.00 1.04 -0.99 1.88 -1.29 0.00 0.00 177.43 178.07 1y9x h TYR 22 N 0.70 0.34 -0.26 0.67 0.05 -1.34 -2.57 116.97 114.56 1y9x h TYR 22 Ca 0.09 -0.21 -0.00 0.00 0.05 0.00 0.00 58.73 58.66 1y9x h TYR 22 Cb 0.78 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.48 1y9x h TYR 22 CO 0.04 1.08 0.15 0.28 -1.05 0.00 0.00 178.16 178.65 1y9x h VAL 23 N 0.10 1.12 0.00 -2.88 2.07 -1.28 -1.61 116.25 113.76 1y9x h VAL 23 Ca -0.07 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 1y9x h VAL 23 Cb 1.67 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1y9x h VAL 23 CO 0.15 0.11 -0.30 -0.07 0.02 0.00 0.00 177.57 177.49 1y9x h LEU 24 N 0.31 0.00 -0.32 2.57 3.38 -1.42 -2.59 115.31 117.24 1y9x h LEU 24 Ca 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1y9x h LEU 24 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1y9x h LEU 24 CO -0.02 0.30 -0.12 0.00 0.09 0.00 0.00 178.44 178.69 1y9x h ALA 25 N 1.70 0.44 -0.03 1.53 0.00 -0.98 -1.57 119.26 120.35 1y9x h ALA 25 Ca -0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1y9x h ALA 25 Cb 0.54 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1y9x h ALA 25 CO 0.04 0.32 -0.35 0.00 0.00 0.00 0.00 179.25 179.26 1y9x h ALA 26 N 0.78 1.37 -0.10 0.00 0.00 -0.99 -0.97 119.26 119.34 1y9x h ALA 26 Ca 0.07 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 1y9x h ALA 26 Cb 0.64 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1y9x h ALA 26 CO 0.04 0.46 -0.73 -0.07 0.00 0.00 0.00 179.25 178.96 1y9x h LEU 27 N 0.05 0.58 -0.67 0.00 3.38 -1.33 -3.14 115.31 114.18 1y9x h LEU 27 Ca 0.00 -0.38 -0.14 0.00 0.09 0.00 0.00 57.88 57.46 1y9x h LEU 27 Cb 0.64 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1y9x h LEU 27 CO 0.05 1.13 -0.47 0.74 0.09 0.00 0.00 178.44 179.98 1y9x h THR 28 N 0.34 1.32 0.00 0.22 2.02 -0.73 -2.92 112.91 113.16 1y9x h THR 28 Ca -0.03 -1.68 -0.03 0.00 0.77 0.00 0.00 66.41 65.44 1y9x h THR 28 Cb 1.31 1.69 -0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1y9x h THR 28 CO 0.13 0.52 -0.14 -0.07 0.37 0.00 0.00 175.52 176.33 1y9x h LEU 29 N 0.38 0.00 -0.89 2.58 3.38 -1.15 -1.40 115.31 118.21 1y9x h LEU 29 Ca 0.02 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1y9x h LEU 29 Cb 0.97 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 1y9x h LEU 29 CO 0.08 0.14 0.56 -0.07 0.09 0.00 0.00 178.44 179.25 1y9x h LEU 30 N 0.00 0.91 0.00 1.67 3.38 -1.48 0.81 115.31 120.60 1y9x h LEU 30 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1y9x h LEU 30 Cb 0.30 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1y9x h LEU 30 CO 0.02 0.60 0.00 0.59 0.09 0.00 0.00 178.44 179.73 1y9x n ASN 31 N -4.57 0.00 -0.46 -0.43 4.13 -0.54 -1.97 115.26 111.42 1y9x n ASN 31 Ca 0.12 -0.17 0.10 0.00 1.68 0.00 0.00 54.58 56.31 1y9x n ASN 31 Cb 0.15 -0.26 0.00 0.00 -1.54 0.00 0.00 39.78 38.13 1y9x n ASN 31 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1y9x n GLN 32 N -1.26 1.47 -0.44 3.52 1.13 -0.42 -4.96 117.38 116.42 1y9x n GLN 32 Ca 0.14 -0.96 0.00 0.00 -1.94 0.00 0.00 57.00 54.24 1y9x n GLN 32 Cb 0.21 -1.38 0.00 0.00 0.11 0.00 0.00 30.24 29.18 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 1.28 0.76 3.31 1.08 0.00 -0.79 -5.02 105.19 105.82 1y9x n GLY 33 Ca 0.08 -0.17 -0.46 0.00 0.00 0.00 0.00 46.02 45.47 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 5.49 -0.17 1.61 1.01 0.15 -4.83 120.40 121.65 1y9x s VAL 34 Ca 0.00 -2.57 0.16 0.00 0.00 0.00 0.00 61.98 59.57 1y9x s VAL 34 Cb 0.00 -4.39 0.06 0.00 0.00 0.00 0.00 36.38 32.05 1y9x s VAL 34 CO 0.00 -1.03 1.39 0.28 0.00 0.00 0.00 175.10 175.74 1y9x h SER 35 N 7.66 0.00 -3.67 3.32 0.02 -1.89 -3.34 113.55 115.65 1y9x h SER 35 Ca 0.10 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.37 1y9x h SER 35 Cb 1.02 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 63.27 1y9x h SER 35 CO 0.76 0.47 -0.64 -1.61 -1.14 0.00 0.00 176.83 174.67 1y9x s GLU 36 N -2.98 2.69 0.12 3.45 2.02 -1.26 -1.29 118.70 121.44 1y9x s GLU 36 Ca 0.03 -1.12 0.06 0.00 0.02 0.00 0.00 54.97 53.96 1y9x s GLU 36 Cb 0.08 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 1y9x s GLU 36 CO 0.75 -0.60 -0.14 0.96 0.02 0.00 0.00 175.26 176.25 1y9x s ILE 37 N 1.39 1.34 -0.17 -1.63 -0.00 -0.96 -4.88 121.20 116.29 1y9x s ILE 37 Ca -0.01 -1.68 0.01 0.00 -0.00 0.00 0.00 60.65 58.96 1y9x s ILE 37 Cb -0.19 -1.50 0.03 0.00 -0.00 0.00 0.00 42.46 40.80 1y9x s ILE 37 CO 0.02 -0.38 -0.13 -0.69 -0.00 0.00 0.00 174.94 173.75 1y9x s VAL 38 N -2.02 1.65 -0.25 8.37 1.01 0.05 -2.28 120.40 126.93 1y9x s VAL 38 Ca 0.08 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 1y9x s VAL 38 Cb -0.06 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1y9x s VAL 38 CO 0.03 0.35 0.57 -0.63 0.00 0.00 0.00 175.10 175.43 1y9x s ILE 39 N 1.43 5.03 -0.26 2.22 1.09 0.59 -2.38 121.20 128.93 1y9x s ILE 39 Ca 0.03 1.02 -0.03 0.00 -1.10 0.00 0.00 60.65 60.56 1y9x s ILE 39 Cb -0.14 -3.88 0.02 0.00 -1.06 0.00 0.00 42.46 37.40 1y9x s ILE 39 CO -0.10 0.08 -0.02 -0.54 -0.10 0.00 0.00 174.94 174.25 1y9x s LYS 40 N 2.27 2.90 0.14 2.79 1.02 -0.12 -0.77 119.74 127.97 1y9x s LYS 40 Ca 0.24 -0.95 0.11 0.00 0.02 0.00 0.00 55.97 55.39 1y9x s LYS 40 Cb -0.16 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 1y9x s LYS 40 CO 0.09 -0.41 -0.25 0.00 -0.92 0.00 0.00 175.35 173.85 1y9x s ALA 41 N 1.37 2.33 0.05 5.17 0.00 -0.76 -0.56 121.76 129.35 1y9x s ALA 41 Ca 0.01 -1.49 0.03 0.00 0.00 0.00 0.00 51.96 50.51 1y9x s ALA 41 Cb -0.17 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1y9x s ALA 41 CO -0.03 0.48 -0.10 1.03 0.00 0.00 0.00 175.76 177.14 1y9x s ARG 42 N -2.22 0.65 6.32 0.00 0.52 -1.26 -1.44 118.95 121.52 1y9x s ARG 42 Ca 0.15 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.60 1y9x s ARG 42 Cb -0.09 -0.53 0.00 0.00 0.52 0.00 0.00 34.95 34.84 1y9x s ARG 42 CO 0.07 0.12 0.00 0.41 0.02 0.00 0.00 175.30 175.91 1y9x n GLY 43 N 1.61 0.95 0.44 -3.53 0.00 0.79 -3.03 105.19 102.42 1y9x n GLY 43 Ca -0.21 -0.59 0.14 0.00 0.00 0.00 0.00 46.02 45.36 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 12.40 1.56 -0.06 1.61 1.74 -1.26 -3.81 116.66 128.85 1y9x n ARG 44 Ca 0.00 -0.88 0.07 0.00 -0.77 0.00 0.00 57.85 56.27 1y9x n ARG 44 Cb 0.00 -1.48 0.32 0.00 -1.02 0.00 0.00 32.46 30.28 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 0.05 2.53 -0.22 7.54 0.00 -1.17 -3.74 120.51 125.50 1y9x n ALA 45 Ca 0.19 -0.31 0.05 0.00 0.00 0.00 0.00 53.44 53.36 1y9x n ALA 45 Cb 0.34 -1.12 0.31 0.00 0.00 0.00 0.00 19.45 18.98 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 1.07 1.05 0.00 0.00 2.04 -1.78 -0.74 117.51 119.16 1y9x h ILE 46 Ca 0.00 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 1y9x h ILE 46 Cb 0.24 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1y9x h ILE 46 CO 0.00 0.16 -0.37 0.77 0.00 0.00 0.00 178.15 178.71 1y9x h SER 47 N 0.86 0.00 0.86 1.72 4.64 -1.90 -2.25 113.55 117.49 1y9x h SER 47 Ca 0.33 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.50 1y9x h SER 47 Cb 0.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 1y9x h SER 47 CO -0.11 0.37 -0.73 0.50 -0.87 0.00 0.00 176.83 175.99 1y9x h LYS 48 N 0.00 0.00 -0.20 4.77 3.64 -1.41 -2.45 116.57 120.93 1y9x h LYS 48 Ca -0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1y9x h LYS 48 Cb 0.67 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1y9x h LYS 48 CO 0.05 0.73 -0.15 0.00 -2.27 0.00 0.00 179.45 177.81 1y9x h ALA 49 N 1.27 0.28 -0.32 5.00 0.00 -0.84 -2.39 119.26 122.26 1y9x h ALA 49 Ca -0.01 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 1y9x h ALA 49 Cb 1.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1y9x h ALA 49 CO 0.10 0.17 -0.43 -0.24 0.00 0.00 0.00 179.25 178.85 1y9x h VAL 50 N 0.13 1.28 -0.79 0.00 3.04 -1.49 -2.88 116.25 115.54 1y9x h VAL 50 Ca 0.04 -1.61 0.05 0.00 -1.01 0.00 0.00 66.70 64.16 1y9x h VAL 50 Cb 0.68 1.49 -0.05 0.00 -2.01 0.00 0.00 31.29 31.40 1y9x h VAL 50 CO 0.04 0.53 0.49 -0.78 -1.01 0.00 0.00 177.57 176.84 1y9x h ASP 51 N 0.65 0.79 -0.03 3.17 1.82 -1.45 -0.68 116.42 120.69 1y9x h ASP 51 Ca 0.04 0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.72 1y9x h ASP 51 Cb 1.00 -0.16 -0.04 0.00 0.68 0.00 0.00 39.33 40.81 1y9x h ASP 51 CO 0.10 0.53 -0.18 0.74 -1.61 0.00 0.00 179.24 178.81 1y9x h THR 52 N 0.93 0.56 -0.11 2.25 2.02 -1.23 -1.84 112.91 115.49 1y9x h THR 52 Ca 0.33 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.36 1y9x h THR 52 Cb 0.09 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1y9x h THR 52 CO -0.14 0.00 -0.59 -0.37 0.37 0.00 0.00 175.52 174.79 1y9x h VAL 53 N -0.28 1.36 -0.06 3.16 -1.51 -1.21 -2.79 116.25 114.91 1y9x h VAL 53 Ca 0.06 -1.91 -0.11 0.00 -1.23 0.00 0.00 66.70 63.51 1y9x h VAL 53 Cb 0.37 1.92 -0.01 0.00 -2.13 0.00 0.00 31.29 31.43 1y9x h VAL 53 CO -0.19 0.57 -0.48 1.05 -1.23 0.00 0.00 177.57 177.29 1y9x h GLU 54 N 0.27 0.16 -0.19 5.19 4.11 -0.98 -2.50 114.58 120.64 1y9x h GLU 54 Ca -0.00 -0.09 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 1y9x h GLU 54 Cb 1.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1y9x h GLU 54 CO 0.10 0.61 0.09 0.82 0.07 0.00 0.00 179.01 180.70 1y9x h ILE 55 N 0.13 1.13 -0.21 -1.06 2.04 -1.19 -2.73 117.51 115.62 1y9x h ILE 55 Ca 0.01 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.51 1y9x h ILE 55 Cb 0.90 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 1y9x h ILE 55 CO 0.07 0.13 0.05 0.58 0.00 0.00 0.00 178.15 178.98 1y9x h VAL 56 N 0.17 0.92 0.00 1.67 2.07 -1.29 -0.96 116.25 118.83 1y9x h VAL 56 Ca 0.06 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1y9x h VAL 56 Cb 0.12 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1y9x h VAL 56 CO -0.01 0.03 0.00 -2.11 0.02 0.00 0.00 177.57 175.50 1y9x n ARG 57 N -5.07 0.21 -0.01 1.57 1.85 -0.96 -2.13 116.66 112.11 1y9x n ARG 57 Ca -0.02 0.36 0.06 0.00 -1.00 0.00 0.00 57.85 57.25 1y9x n ARG 57 Cb 0.09 -1.85 0.06 0.00 -1.05 0.00 0.00 32.46 29.71 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 -2.23 2.13 -0.01 2.89 4.13 -0.94 -2.92 115.26 118.32 1y9x n ASN 58 Ca 0.03 -1.56 0.06 0.00 1.68 0.00 0.00 54.58 54.79 1y9x n ASN 58 Cb 0.28 -0.02 -0.09 0.00 -1.54 0.00 0.00 39.78 38.41 1y9x n ASN 58 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1y9x n ARG 59 N 0.71 0.57 0.00 3.52 1.85 -0.41 -4.97 116.66 117.93 1y9x n ARG 59 Ca 0.08 -0.10 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 1y9x n ARG 59 Cb 0.33 -1.28 0.00 0.00 -1.05 0.00 0.00 32.46 30.46 1y9x n ARG 59 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1y9x n PHE 60 N -1.88 -0.77 -2.87 2.89 -0.00 -0.91 -5.01 117.46 108.90 1y9x n PHE 60 Ca -0.02 0.00 -0.44 0.00 -0.00 0.00 0.00 57.45 57.00 1y9x n PHE 60 Cb 0.31 0.49 -0.02 0.00 -0.00 0.00 0.00 39.48 40.27 1y9x n PHE 60 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1y9x s LEU 61 N -4.96 4.82 0.00 -2.13 1.02 -1.21 -4.84 118.68 111.38 1y9x s LEU 61 Ca 0.00 -2.33 0.00 0.00 0.02 0.00 0.00 54.13 51.82 1y9x s LEU 61 Cb 0.00 -2.43 0.00 0.00 0.02 0.00 0.00 46.19 43.78 1y9x s LEU 61 CO 0.00 -1.01 0.18 0.00 0.02 0.00 0.00 176.35 175.54 1y9x n ALA 62 N 6.60 -0.07 1.04 4.21 0.00 -1.15 -4.08 120.51 127.07 1y9x n ALA 62 Ca 0.31 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.87 1y9x n ALA 62 Cb 0.47 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.23 1y9x n ALA 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1y9x n ASP 63 N -1.46 2.35 -0.84 0.00 8.00 -1.26 -4.13 116.55 119.21 1y9x n ASP 63 Ca 0.00 -1.79 0.04 0.00 0.71 0.00 0.00 54.79 53.75 1y9x n ASP 63 Cb 0.00 -0.08 0.21 0.00 -0.02 0.00 0.00 41.12 41.23 1y9x n ASP 63 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1y9x n LYS 64 N 0.80 2.13 -3.95 -1.24 5.02 -1.26 -4.99 118.16 114.67 1y9x n LYS 64 Ca 0.17 -2.96 -0.35 0.00 -2.02 0.00 0.00 58.31 53.14 1y9x n LYS 64 Cb 0.47 -1.76 -0.09 0.00 -0.02 0.00 0.00 35.03 33.63 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 -3.03 5.04 -0.05 -0.18 1.10 -1.26 -4.16 121.20 118.66 1y9x s ILE 65 Ca 0.41 0.05 -0.03 0.00 -0.51 0.00 0.00 60.65 60.57 1y9x s ILE 65 Cb 0.36 -3.25 -0.04 0.00 0.15 0.00 0.00 42.46 39.68 1y9x s ILE 65 CO 0.03 0.50 0.13 -1.61 -2.11 0.00 0.00 174.94 171.89 1y9x s GLU 66 N -0.05 3.32 -0.01 3.50 0.41 -0.66 -5.02 118.70 120.20 1y9x s GLU 66 Ca 0.08 -0.31 0.06 0.00 -0.41 0.00 0.00 54.97 54.39 1y9x s GLU 66 Cb -0.12 -3.05 -0.02 0.00 -1.78 0.00 0.00 34.13 29.17 1y9x s GLU 66 CO 0.01 0.70 -0.20 0.42 -0.49 0.00 0.00 175.26 175.70 1y9x s ILE 67 N -1.17 1.57 0.00 -1.63 1.01 -1.26 -0.43 121.20 119.29 1y9x s ILE 67 Ca 0.21 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1y9x s ILE 67 Cb -0.12 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.04 1y9x s ILE 67 CO 0.12 0.44 0.00 0.29 0.00 0.00 0.00 174.94 175.79 1y9x n LYS 68 N 2.58 0.00 -3.55 2.79 4.76 -0.29 -4.86 118.16 119.59 1y9x n LYS 68 Ca -0.15 0.17 -0.07 0.00 -2.87 0.00 0.00 58.31 55.38 1y9x n LYS 68 Cb 0.53 -0.58 -0.03 0.00 -1.84 0.00 0.00 35.03 33.11 1y9x n LYS 68 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1y9x s GLU 69 N -0.66 0.58 -0.18 1.97 2.56 -1.21 -5.06 118.70 116.70 1y9x s GLU 69 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.97 54.84 1y9x s GLU 69 Cb 0.00 0.27 0.04 0.00 2.00 0.00 0.00 34.13 36.44 1y9x s GLU 69 CO 0.00 -0.24 -0.10 0.42 -0.56 0.00 0.00 175.26 174.78 1y9x s ILE 70 N -2.40 1.52 -0.14 -3.70 1.01 -1.26 -2.87 121.20 113.35 1y9x s ILE 70 Ca 0.05 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 1y9x s ILE 70 Cb -0.01 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 1y9x s ILE 70 CO -0.05 0.22 -0.11 -0.13 0.00 0.00 0.00 174.94 174.87 1y9x s ARG 71 N 1.46 3.42 -0.02 2.79 0.52 -0.81 -4.99 118.95 121.32 1y9x s ARG 71 Ca 0.00 -0.66 0.01 0.00 -0.52 0.00 0.00 55.73 54.56 1y9x s ARG 71 Cb -0.15 -2.71 0.02 0.00 0.52 0.00 0.00 34.95 32.62 1y9x s ARG 71 CO -0.09 0.16 -0.02 0.54 0.02 0.00 0.00 175.30 175.92 1y9x s VAL 72 N 0.50 0.28 -0.05 3.52 0.11 -1.26 -0.03 120.40 123.46 1y9x s VAL 72 Ca -0.08 -0.02 -0.31 0.00 -2.93 0.00 0.00 61.98 58.64 1y9x s VAL 72 Cb -0.15 -0.32 0.13 0.00 -1.53 0.00 0.00 36.38 34.51 1y9x s VAL 72 CO 0.04 0.14 1.33 -0.83 -3.33 0.00 0.00 175.10 172.45 1y9x s GLY 73 N 0.67 -0.43 0.18 6.54 0.00 0.09 -5.01 107.32 109.36 1y9x s GLY 73 Ca -0.07 0.82 -0.28 0.00 0.00 0.00 0.00 44.72 45.19 1y9x s GLY 73 CO -0.01 0.16 0.89 -0.56 0.00 0.00 0.00 173.10 173.58 1y9x s SER 74 N -2.94 7.52 -0.12 1.64 0.01 -1.26 -0.01 113.70 118.54 1y9x s SER 74 Ca 0.14 1.80 0.01 0.00 1.31 0.00 0.00 55.95 59.21 1y9x s SER 74 Cb 0.05 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 1y9x s SER 74 CO -0.05 0.12 -0.16 -1.58 0.41 0.00 0.00 173.24 171.97 1y9x s GLN 75 N -0.84 3.24 -0.39 12.44 0.74 0.81 -4.88 119.66 130.78 1y9x s GLN 75 Ca 0.41 -0.74 -0.17 0.00 0.05 0.00 0.00 55.36 54.91 1y9x s GLN 75 Cb -0.24 -2.52 0.01 0.00 1.10 0.00 0.00 33.01 31.36 1y9x s GLN 75 CO 0.29 0.22 0.42 0.08 -0.55 0.00 0.00 175.29 175.76 1y9x s VAL 76 N 0.29 5.11 0.10 1.34 1.01 -1.26 -0.72 120.40 126.27 1y9x s VAL 76 Ca -0.12 -0.14 0.09 0.00 0.00 0.00 0.00 61.98 61.81 1y9x s VAL 76 Cb -0.16 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1y9x s VAL 76 CO 0.06 -0.29 -0.22 0.68 0.00 0.00 0.00 175.10 175.33 1y9x s VAL 77 N 2.12 2.54 -0.26 2.92 -7.23 -0.31 -4.92 120.40 115.27 1y9x s VAL 77 Ca 0.13 -1.52 -0.16 0.00 -1.81 0.00 0.00 61.98 58.62 1y9x s VAL 77 Cb -0.17 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 1y9x s VAL 77 CO 0.13 0.17 0.43 0.42 -0.31 0.00 0.00 175.10 175.94 1y9x s THR 78 N -1.03 5.14 -0.04 5.32 -4.23 -1.26 -0.40 115.64 119.13 1y9x s THR 78 Ca 0.15 0.71 -0.24 0.00 -1.18 0.00 0.00 61.69 61.13 1y9x s THR 78 Cb -0.10 -3.75 -0.22 0.00 1.34 0.00 0.00 72.50 69.77 1y9x s THR 78 CO 0.07 0.14 1.10 -1.28 -0.54 0.00 0.00 174.62 174.11 1y9x h SER 79 N 8.02 0.19 0.00 3.99 0.87 -0.78 -3.46 113.55 122.38 1y9x h SER 79 Ca -0.31 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 59.55 1y9x h SER 79 Cb 1.15 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1y9x h SER 79 CO 0.68 0.86 0.00 0.00 -0.53 0.00 0.00 176.83 177.84 1y9x n GLN 80 N -4.58 0.00 0.02 2.24 1.13 -1.26 -5.02 117.38 109.91 1y9x n GLN 80 Ca -0.09 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 54.95 1y9x n GLN 80 Cb 0.44 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.78 1y9x n GLN 80 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1y9x n ASP 81 N -0.40 1.09 0.00 1.08 5.75 -1.26 -4.88 116.55 117.93 1y9x n ASP 81 Ca 0.00 0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.93 1y9x n ASP 81 Cb 0.00 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 1y9x n ASP 81 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1y9x n GLY 82 N 3.09 0.96 3.56 6.12 0.00 -1.26 -4.95 105.19 112.71 1y9x n GLY 82 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.60 3.19 -0.00 1.61 3.52 -1.26 -4.95 118.95 120.46 1y9x s ARG 83 Ca 0.00 -0.62 -0.22 0.00 -0.13 0.00 0.00 55.73 54.76 1y9x s ARG 83 Cb 0.00 -5.00 -0.05 0.00 -1.56 0.00 0.00 34.95 28.34 1y9x s ARG 83 CO 0.00 -2.52 0.65 -0.65 -0.81 0.00 0.00 175.30 171.97 1y9x s GLN 84 N 5.78 4.38 0.18 5.12 -0.21 -1.26 0.02 119.66 133.67 1y9x s GLN 84 Ca 0.52 0.84 0.06 0.00 0.02 0.00 0.00 55.36 56.80 1y9x s GLN 84 Cb -0.04 -3.36 -0.05 0.00 1.00 0.00 0.00 33.01 30.56 1y9x s GLN 84 CO -0.01 0.30 -0.12 0.45 -2.12 0.00 0.00 175.29 173.79 1y9x s SER 85 N -0.01 2.25 -0.17 5.90 0.15 0.46 -4.95 113.70 117.32 1y9x s SER 85 Ca 0.34 -1.03 -0.02 0.00 0.70 0.00 0.00 55.95 55.94 1y9x s SER 85 Cb -0.19 -0.08 -0.01 0.00 -1.71 0.00 0.00 66.02 64.03 1y9x s SER 85 CO 0.19 -0.25 -0.09 -0.13 1.20 0.00 0.00 173.24 174.16 1y9x s ARG 86 N -3.69 3.38 -0.13 5.44 3.00 -1.26 -1.17 118.95 124.52 1y9x s ARG 86 Ca 0.20 -0.66 0.01 0.00 0.00 0.00 0.00 55.73 55.29 1y9x s ARG 86 Cb 0.01 -2.81 0.02 0.00 0.00 0.00 0.00 34.95 32.17 1y9x s ARG 86 CO 0.04 0.01 -0.14 0.08 0.00 0.00 0.00 175.30 175.30 1y9x s VAL 87 N 0.89 1.48 0.16 3.52 1.01 0.10 -4.92 120.40 122.65 1y9x s VAL 87 Ca -0.02 -0.60 -0.31 0.00 0.00 0.00 0.00 61.98 61.04 1y9x s VAL 87 Cb -0.15 -1.39 -0.10 0.00 0.00 0.00 0.00 36.38 34.75 1y9x s VAL 87 CO 0.00 0.44 1.52 -0.94 0.00 0.00 0.00 175.10 176.13 1y9x s SER 88 N 1.30 6.63 0.04 3.32 1.04 -1.26 -0.13 113.70 124.64 1y9x s SER 88 Ca 0.00 2.57 0.06 0.00 0.48 0.00 0.00 55.95 59.06 1y9x s SER 88 Cb -0.14 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.37 1y9x s SER 88 CO -0.07 -0.78 -0.16 0.42 0.98 0.00 0.00 173.24 173.63 1y9x s THR 89 N 1.03 1.27 -0.01 2.02 -4.23 0.99 -0.15 115.64 116.56 1y9x s THR 89 Ca 0.68 -1.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.15 1y9x s THR 89 Cb -0.42 -1.13 0.00 0.00 1.34 0.00 0.00 72.50 72.29 1y9x s THR 89 CO 0.32 0.06 -0.02 -0.51 -0.54 0.00 0.00 174.62 173.93 1y9x s ILE 90 N -0.83 0.23 -0.24 2.99 2.07 -0.52 -0.74 121.20 124.17 1y9x s ILE 90 Ca 0.03 -0.09 0.02 0.00 -1.41 0.00 0.00 60.65 59.20 1y9x s ILE 90 Cb -0.08 -0.22 0.06 0.00 0.13 0.00 0.00 42.46 42.35 1y9x s ILE 90 CO 0.01 0.08 -0.10 -1.61 -1.91 0.00 0.00 174.94 171.42 1y9x s GLU 91 N 0.12 2.10 -0.35 3.50 2.02 0.96 -1.84 118.70 125.21 1y9x s GLU 91 Ca -0.01 -1.18 -0.09 0.00 0.02 0.00 0.00 54.97 53.72 1y9x s GLU 91 Cb -0.03 -2.75 0.03 0.00 0.10 0.00 0.00 34.13 31.48 1y9x s GLU 91 CO -0.00 -0.54 0.15 0.42 0.02 0.00 0.00 175.26 175.30 1y9x s ILE 92 N 1.22 4.17 -0.17 -1.63 1.01 0.05 -1.92 121.20 123.92 1y9x s ILE 92 Ca -0.07 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.60 1y9x s ILE 92 Cb -0.19 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 1y9x s ILE 92 CO -0.06 -0.18 -0.11 0.00 0.00 0.00 0.00 174.94 174.59 1y9x s ALA 93 N 1.48 2.65 0.24 9.38 0.00 -1.14 -0.30 121.76 134.07 1y9x s ALA 93 Ca 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.94 1y9x s ALA 93 Cb -0.19 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.49 1y9x s ALA 93 CO 0.05 -0.08 0.08 0.96 0.00 0.00 0.00 175.76 176.76 1y9x s ILE 94 N 0.90 0.57 0.08 0.00 -4.36 -0.96 -1.14 121.20 116.28 1y9x s ILE 94 Ca -0.03 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.39 1y9x s ILE 94 Cb -0.15 -2.52 -0.03 0.00 1.25 0.00 0.00 42.46 41.01 1y9x s ILE 94 CO -0.00 -0.11 -0.08 -0.60 0.24 0.00 0.00 174.94 174.39 1y9x s ARG 95 N -4.01 0.74 0.01 0.37 3.52 0.43 -2.25 118.95 117.77 1y9x s ARG 95 Ca 0.35 -1.11 0.03 0.00 -0.13 0.00 0.00 55.73 54.87 1y9x s ARG 95 Cb 0.07 -0.33 -0.04 0.00 -1.56 0.00 0.00 34.95 33.10 1y9x s ARG 95 CO 0.11 0.03 -0.03 0.15 -0.81 0.00 0.00 175.30 174.76 1y9x s LYS 96 N -2.84 2.65 0.00 5.12 -0.14 -0.41 -1.65 119.74 122.47 1y9x s LYS 96 Ca 0.03 -0.69 0.28 0.00 -1.36 0.00 0.00 55.97 54.23 1y9x s LYS 96 Cb -0.02 -2.58 1.03 0.00 -1.68 0.00 0.00 37.83 34.58 1y9x s LYS 96 CO -0.02 0.60 1.73 1.63 -0.76 0.00 0.00 175.35 178.54