#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9x s SER 2 N 0.00 6.27 -0.14 3.17 0.01 -1.26 -5.01 113.70 116.75 1y9x s SER 2 Ca 0.00 -1.47 -0.06 0.00 1.31 0.00 0.00 55.95 55.73 1y9x s SER 2 Cb 0.00 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 1y9x s SER 2 CO 0.00 -1.17 0.09 -0.55 0.41 0.00 0.00 173.24 172.02 1y9x s SER 3 N 3.57 5.90 0.00 2.44 0.15 -1.26 -4.35 113.70 120.15 1y9x s SER 3 Ca 0.18 0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1y9x s SER 3 Cb -0.19 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 1y9x s SER 3 CO 0.04 0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.41 1y9x n GLY 4 N 2.59 3.06 3.91 9.45 0.00 -1.26 -5.03 105.19 117.92 1y9x n GLY 4 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1y9x n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y9x s THR 5 N -2.61 5.16 -0.05 2.61 -4.23 -1.26 -5.05 115.64 110.20 1y9x s THR 5 Ca 0.00 -0.16 -0.17 0.00 -1.18 0.00 0.00 61.69 60.18 1y9x s THR 5 Cb 0.00 -3.70 -0.11 0.00 1.34 0.00 0.00 72.50 70.03 1y9x s THR 5 CO 0.00 -0.14 0.67 -0.65 -0.54 0.00 0.00 174.62 173.96 1y9x h PRO 6 N 2.18 -0.30 -5.88 3.99 0.11 -1.95 -3.50 132.00 126.65 1y9x h PRO 6 Ca -0.47 0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.47 1y9x h PRO 6 Cb 1.18 0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.37 1y9x h PRO 6 CO 0.69 0.00 -0.69 0.25 -0.21 0.00 0.00 178.00 178.04 1y9x n THR 7 N -4.98 -7.75 0.00 -1.15 -2.24 -1.26 -5.02 114.28 91.88 1y9x n THR 7 Ca -0.06 0.30 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1y9x n THR 7 Cb 0.22 -5.52 0.00 0.00 -2.10 0.00 0.00 70.33 62.93 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 -0.93 0.00 -0.25 -0.78 -0.05 -1.26 -4.92 135.00 126.81 1y9x n PRO 8 Ca -0.03 0.17 0.00 0.00 -0.05 0.00 0.00 63.50 63.59 1y9x n PRO 8 Cb 0.57 -0.61 0.00 0.00 -0.05 0.00 0.00 33.50 33.40 1y9x n PRO 8 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 1y9x n SER 9 N -1.27 0.00 -0.83 3.54 3.41 -1.26 -4.86 113.62 112.35 1y9x n SER 9 Ca 0.00 -1.24 0.12 0.00 -0.26 0.00 0.00 58.87 57.48 1y9x n SER 9 Cb 0.00 -0.05 0.29 0.00 -0.26 0.00 0.00 64.21 64.19 1y9x n SER 9 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1y9x n ASN 10 N 0.00 2.52 -4.28 4.04 0.23 -1.26 -4.75 115.26 111.76 1y9x n ASN 10 Ca 0.00 -1.84 -0.37 0.00 -0.53 0.00 0.00 54.58 51.84 1y9x n ASN 10 Cb 0.55 -0.13 -0.13 0.00 -2.08 0.00 0.00 39.78 37.99 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 -1.75 3.65 -0.11 3.53 1.01 -1.25 -0.02 120.40 125.46 1y9x s VAL 11 Ca 0.35 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1y9x s VAL 11 Cb 0.20 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1y9x s VAL 11 CO 0.30 -0.02 -0.07 0.54 0.00 0.00 0.00 175.10 175.85 1y9x s VAL 12 N 1.41 3.66 -0.17 2.92 0.11 -0.08 -4.99 120.40 123.26 1y9x s VAL 12 Ca -0.00 -0.46 -0.13 0.00 -2.93 0.00 0.00 61.98 58.45 1y9x s VAL 12 Cb -0.18 -2.55 -0.05 0.00 -1.53 0.00 0.00 36.38 32.07 1y9x s VAL 12 CO 0.01 0.54 0.28 -0.22 -3.33 0.00 0.00 175.10 172.38 1y9x s LEU 13 N -0.12 4.23 -0.40 2.54 2.96 -1.26 -0.52 118.68 126.10 1y9x s LEU 13 Ca 0.01 0.46 -0.21 0.00 -0.22 0.00 0.00 54.13 54.18 1y9x s LEU 13 Cb -0.13 -2.34 0.01 0.00 0.50 0.00 0.00 46.19 44.23 1y9x s LEU 13 CO 0.03 0.09 0.64 -0.63 -1.32 0.00 0.00 176.35 175.16 1y9x s ILE 14 N 0.55 4.85 0.00 6.68 -1.09 0.21 -4.75 121.20 127.65 1y9x s ILE 14 Ca 0.15 0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.90 1y9x s ILE 14 Cb -0.13 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 1y9x s ILE 14 CO 0.03 -0.48 0.00 0.61 -1.23 0.00 0.00 174.94 173.87 1y9x n GLY 15 N 4.88 -0.05 2.11 6.18 0.00 -1.26 -4.35 105.19 112.70 1y9x n GLY 15 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1y9x n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1y9x n LYS 16 N 0.00 0.00 -3.29 1.61 4.81 -1.26 -5.15 118.16 114.88 1y9x n LYS 16 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.25 1y9x n LYS 16 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 1y9x n LYS 16 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1y9x s LYS 17 N -1.50 2.83 1.01 1.64 1.02 -1.26 -5.11 119.74 118.37 1y9x s LYS 17 Ca 0.00 -1.25 -0.12 0.00 0.02 0.00 0.00 55.97 54.62 1y9x s LYS 17 Cb 0.00 -2.68 0.19 0.00 -0.52 0.00 0.00 37.83 34.83 1y9x s LYS 17 CO 0.00 -0.15 1.08 -2.14 -0.92 0.00 0.00 175.35 173.22 1y9x s PRO 18 N -4.24 0.33 0.35 -1.68 0.02 -1.26 -4.90 135.00 123.62 1y9x s PRO 18 Ca 0.50 0.80 0.12 0.00 0.02 0.00 0.00 61.00 62.45 1y9x s PRO 18 Cb -0.08 -1.70 0.92 0.00 0.02 0.00 0.00 34.50 33.66 1y9x s PRO 18 CO 0.31 -2.87 1.78 0.28 -0.33 0.00 0.00 177.00 176.17 1y9x h VAL 19 N -2.01 0.62 -0.83 3.83 2.07 -1.99 -1.57 116.25 116.37 1y9x h VAL 19 Ca -0.54 -0.20 0.22 0.00 0.82 0.00 0.00 66.70 67.01 1y9x h VAL 19 Cb 1.31 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1y9x h VAL 19 CO 0.53 0.10 0.58 0.00 0.02 0.00 0.00 177.57 178.80 1y9x h MET 20 N 0.57 0.12 -0.03 1.57 -0.00 -1.99 0.52 114.93 115.68 1y9x h MET 20 Ca 0.58 -0.01 -0.17 0.00 -0.00 0.00 0.00 59.70 60.10 1y9x h MET 20 Cb 1.17 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.73 1y9x h MET 20 CO -0.34 0.08 -0.74 -0.97 -0.00 0.00 0.00 176.91 174.94 1y9x h ASN 21 N 0.12 0.27 0.64 -0.10 -1.24 -1.63 -2.96 115.58 110.68 1y9x h ASN 21 Ca 0.41 -0.19 -0.27 0.00 0.71 0.00 0.00 56.30 56.95 1y9x h ASN 21 Cb 1.42 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.39 1y9x h ASN 21 CO -0.05 0.92 -1.26 1.88 -1.29 0.00 0.00 177.43 177.62 1y9x h TYR 22 N 0.15 0.45 -0.22 0.67 0.05 -1.06 -2.23 116.97 114.78 1y9x h TYR 22 Ca -0.03 -0.33 -0.00 0.00 0.05 0.00 0.00 58.73 58.42 1y9x h TYR 22 Cb 1.31 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.02 1y9x h TYR 22 CO 0.03 1.27 0.13 0.28 -1.05 0.00 0.00 178.16 178.82 1y9x h VAL 23 N 0.07 1.09 -0.35 -2.88 2.07 -1.35 -1.79 116.25 113.11 1y9x h VAL 23 Ca -0.14 -0.23 -0.09 0.00 0.82 0.00 0.00 66.70 67.07 1y9x h VAL 23 Cb 1.96 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 1y9x h VAL 23 CO 0.19 0.09 -0.16 -0.07 0.02 0.00 0.00 177.57 177.65 1y9x h LEU 24 N 0.26 0.63 -0.81 2.57 3.38 -1.57 -2.88 115.31 116.90 1y9x h LEU 24 Ca 0.08 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1y9x h LEU 24 Cb 0.03 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1y9x h LEU 24 CO -0.01 0.80 0.38 0.00 0.09 0.00 0.00 178.44 179.70 1y9x h ALA 25 N 1.25 1.05 0.00 1.53 0.00 -1.02 0.45 119.26 122.52 1y9x h ALA 25 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1y9x h ALA 25 Cb 0.60 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1y9x h ALA 25 CO 0.04 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.91 1y9x n ALA 26 N -2.41 1.78 -0.09 0.00 0.00 -0.70 -0.91 120.51 118.17 1y9x n ALA 26 Ca 0.08 -0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 1y9x n ALA 26 Cb 0.14 -1.27 -0.12 0.00 0.00 0.00 0.00 19.45 18.21 1y9x n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1y9x n LEU 27 N -1.46 2.47 -0.36 0.00 4.77 -0.59 -3.79 117.00 118.05 1y9x n LEU 27 Ca 0.05 0.15 -0.03 0.00 -0.03 0.00 0.00 56.01 56.15 1y9x n LEU 27 Cb 0.18 -0.95 0.10 0.00 -2.33 0.00 0.00 43.42 40.42 1y9x n LEU 27 CO 0.15 0.73 1.26 0.74 -1.33 0.00 0.00 177.39 178.94 1y9x h THR 28 N -0.38 1.25 -0.36 -5.08 2.02 -0.52 -1.98 112.91 107.86 1y9x h THR 28 Ca -0.54 -0.49 -0.09 0.00 0.77 0.00 0.00 66.41 66.07 1y9x h THR 28 Cb 1.77 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1y9x h THR 28 CO -0.15 0.25 -0.15 -0.07 0.37 0.00 0.00 175.52 175.77 1y9x h LEU 29 N 1.31 0.64 -0.76 2.58 3.38 -1.23 -2.90 115.31 118.33 1y9x h LEU 29 Ca 0.35 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1y9x h LEU 29 Cb -0.12 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1y9x h LEU 29 CO -0.07 0.81 0.12 0.25 0.09 0.00 0.00 178.44 179.64 1y9x h LEU 30 N 0.59 1.00 -1.49 1.67 7.12 -1.38 -0.78 115.31 122.03 1y9x h LEU 30 Ca 0.10 -0.23 0.00 0.00 0.13 0.00 0.00 57.88 57.88 1y9x h LEU 30 Cb 0.60 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.46 1y9x h LEU 30 CO 0.04 0.99 0.00 0.78 -0.13 0.00 0.00 178.44 180.12 1y9x h ASN 31 N 0.99 0.00 0.17 1.25 2.35 -1.19 -0.54 115.58 118.62 1y9x h ASN 31 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1y9x h ASN 31 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1y9x h ASN 31 CO 0.01 0.00 -0.27 0.00 -1.65 0.00 0.00 177.43 175.52 1y9x n GLN 32 N -2.74 0.98 0.00 0.81 6.02 -0.67 -4.92 117.38 116.86 1y9x n GLN 32 Ca 0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 57.00 56.36 1y9x n GLN 32 Cb 0.21 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.99 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 1.34 0.71 3.55 1.08 0.00 -0.21 -5.04 105.19 106.62 1y9x n GLY 33 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 3.77 -0.04 1.61 1.01 -0.39 -4.80 120.40 119.56 1y9x s VAL 34 Ca 0.00 0.29 0.13 0.00 0.00 0.00 0.00 61.98 62.40 1y9x s VAL 34 Cb 0.00 -4.92 -0.22 0.00 0.00 0.00 0.00 36.38 31.24 1y9x s VAL 34 CO 0.00 -1.84 0.72 0.28 0.00 0.00 0.00 175.10 174.26 1y9x h SER 35 N 9.99 0.00 -3.56 3.32 0.02 -1.86 -3.20 113.55 118.26 1y9x h SER 35 Ca -0.25 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.03 1y9x h SER 35 Cb 1.05 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.31 1y9x h SER 35 CO 1.28 0.96 -0.67 -1.61 -1.14 0.00 0.00 176.83 175.66 1y9x s GLU 36 N -2.63 3.11 0.15 3.45 2.02 -1.26 -0.73 118.70 122.80 1y9x s GLU 36 Ca -0.04 -0.83 0.07 0.00 0.02 0.00 0.00 54.97 54.19 1y9x s GLU 36 Cb 0.08 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 31.04 1y9x s GLU 36 CO 0.82 -0.38 -0.15 0.96 0.02 0.00 0.00 175.26 176.53 1y9x s ILE 37 N 1.46 1.53 -0.11 -1.63 -0.00 -0.76 -4.93 121.20 116.75 1y9x s ILE 37 Ca 0.03 -1.89 0.02 0.00 -0.00 0.00 0.00 60.65 58.81 1y9x s ILE 37 Cb -0.16 -1.73 0.02 0.00 -0.00 0.00 0.00 42.46 40.58 1y9x s ILE 37 CO 0.00 -0.44 -0.15 -0.69 -0.00 0.00 0.00 174.94 173.65 1y9x s VAL 38 N -2.35 1.53 -0.17 8.37 1.01 0.98 -1.47 120.40 128.30 1y9x s VAL 38 Ca 0.14 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 1y9x s VAL 38 Cb -0.04 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1y9x s VAL 38 CO 0.04 0.45 0.03 -0.63 0.00 0.00 0.00 175.10 174.99 1y9x s ILE 39 N 1.02 4.47 -0.15 2.22 1.01 0.78 -0.90 121.20 129.64 1y9x s ILE 39 Ca -0.06 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.46 1y9x s ILE 39 Cb -0.15 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.35 1y9x s ILE 39 CO -0.02 0.48 -0.21 -0.54 0.00 0.00 0.00 174.94 174.65 1y9x s LYS 40 N 0.27 2.95 0.20 2.79 1.02 0.32 -1.02 119.74 126.28 1y9x s LYS 40 Ca 0.01 -0.82 0.11 0.00 0.02 0.00 0.00 55.97 55.29 1y9x s LYS 40 Cb -0.13 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 1y9x s LYS 40 CO 0.01 -0.10 -0.23 0.00 -0.92 0.00 0.00 175.35 174.12 1y9x s ALA 41 N 1.02 2.59 -0.00 5.17 0.00 -1.02 -0.62 121.76 128.90 1y9x s ALA 41 Ca -0.02 -1.67 0.03 0.00 0.00 0.00 0.00 51.96 50.30 1y9x s ALA 41 Cb -0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 1y9x s ALA 41 CO -0.06 0.41 -0.09 1.03 0.00 0.00 0.00 175.76 177.04 1y9x s ARG 42 N -2.80 0.73 7.72 0.00 0.52 -1.26 -2.05 118.95 121.81 1y9x s ARG 42 Ca 0.22 -0.38 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 1y9x s ARG 42 Cb -0.08 -0.70 0.00 0.00 0.52 0.00 0.00 34.95 34.69 1y9x s ARG 42 CO 0.11 0.19 0.00 0.41 0.02 0.00 0.00 175.30 176.03 1y9x n GLY 43 N 2.70 3.02 0.95 -3.53 0.00 0.11 -1.94 105.19 106.50 1y9x n GLY 43 Ca -0.14 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 11.12 2.21 0.00 1.61 1.74 -1.26 -3.80 116.66 128.28 1y9x n ARG 44 Ca 0.00 -1.86 0.14 0.00 -0.77 0.00 0.00 57.85 55.36 1y9x n ARG 44 Cb 0.00 -1.43 0.56 0.00 -1.02 0.00 0.00 32.46 30.57 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 1.03 2.62 -0.29 7.54 0.00 -0.82 -3.98 120.51 126.62 1y9x n ALA 45 Ca 0.18 -0.41 0.05 0.00 0.00 0.00 0.00 53.44 53.25 1y9x n ALA 45 Cb 0.46 -1.20 0.26 0.00 0.00 0.00 0.00 19.45 18.97 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 2.00 1.05 -0.17 0.00 2.04 -1.75 -0.60 117.51 120.08 1y9x h ILE 46 Ca 0.00 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1y9x h ILE 46 Cb 0.44 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1y9x h ILE 46 CO 0.00 0.18 -0.03 0.77 0.00 0.00 0.00 178.15 179.07 1y9x h SER 47 N 0.98 0.22 -0.12 1.72 4.64 -1.90 -2.34 113.55 116.75 1y9x h SER 47 Ca 0.38 -0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 61.52 1y9x h SER 47 Cb 0.23 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1y9x h SER 47 CO -0.15 0.30 -0.45 0.11 -0.87 0.00 0.00 176.83 175.77 1y9x h LYS 48 N 0.24 0.68 -0.38 4.77 1.57 -1.37 -1.98 116.57 120.10 1y9x h LYS 48 Ca 0.06 -0.38 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 1y9x h LYS 48 Cb 0.22 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1y9x h LYS 48 CO 0.01 0.99 0.12 0.00 -0.57 0.00 0.00 179.45 180.00 1y9x h ALA 49 N 0.95 0.50 -0.08 3.86 0.00 -1.15 0.62 119.26 123.96 1y9x h ALA 49 Ca 0.03 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1y9x h ALA 49 Cb 1.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1y9x h ALA 49 CO 0.09 0.14 -0.68 -0.24 0.00 0.00 0.00 179.25 178.57 1y9x h VAL 50 N 0.47 1.39 -0.40 0.00 3.04 -1.53 -2.53 116.25 116.69 1y9x h VAL 50 Ca 0.12 -2.09 -0.02 0.00 -1.01 0.00 0.00 66.70 63.71 1y9x h VAL 50 Cb 0.25 2.07 -0.02 0.00 -2.01 0.00 0.00 31.29 31.59 1y9x h VAL 50 CO -0.00 0.62 0.18 -0.78 -1.01 0.00 0.00 177.57 176.58 1y9x h ASP 51 N 0.23 0.53 0.14 3.17 3.58 -1.12 -0.87 116.42 122.09 1y9x h ASP 51 Ca -0.02 -0.14 0.01 0.00 0.42 0.00 0.00 57.03 57.30 1y9x h ASP 51 Cb 1.22 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.11 1y9x h ASP 51 CO 0.11 0.52 -0.19 0.74 -2.88 0.00 0.00 179.24 177.54 1y9x h THR 52 N 0.51 0.56 -0.38 2.25 2.02 -0.76 -1.62 112.91 115.49 1y9x h THR 52 Ca 0.14 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.23 1y9x h THR 52 Cb 0.14 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1y9x h THR 52 CO -0.02 0.00 -0.11 -0.37 0.37 0.00 0.00 175.52 175.40 1y9x h VAL 53 N -0.39 1.25 -0.48 3.16 -1.51 -1.34 -2.36 116.25 114.58 1y9x h VAL 53 Ca 0.02 -1.10 0.00 0.00 -1.23 0.00 0.00 66.70 64.39 1y9x h VAL 53 Cb 0.39 1.08 -0.02 0.00 -2.13 0.00 0.00 31.29 30.61 1y9x h VAL 53 CO -0.08 0.37 0.31 -0.33 -1.23 0.00 0.00 177.57 176.61 1y9x h GLU 54 N 0.61 0.64 -0.68 5.19 4.39 -0.92 -1.35 114.58 122.45 1y9x h GLU 54 Ca 0.11 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 1y9x h GLU 54 Cb 0.54 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 1y9x h GLU 54 CO 0.03 0.43 0.42 0.82 -1.16 0.00 0.00 179.01 179.56 1y9x h ILE 55 N 0.65 1.19 -0.52 3.13 2.04 -0.97 -2.22 117.51 120.80 1y9x h ILE 55 Ca 0.17 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1y9x h ILE 55 Cb -0.06 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 1y9x h ILE 55 CO -0.04 0.19 0.24 0.58 0.00 0.00 0.00 178.15 179.13 1y9x h VAL 56 N 0.92 1.20 -0.12 1.67 2.07 -1.14 0.59 116.25 121.45 1y9x h VAL 56 Ca 0.24 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1y9x h VAL 56 Cb -0.05 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1y9x h VAL 56 CO -0.05 0.22 0.00 -2.11 0.02 0.00 0.00 177.57 175.66 1y9x n ARG 57 N -4.59 1.44 -0.00 1.57 1.85 -0.53 -2.43 116.66 113.97 1y9x n ARG 57 Ca 0.02 -0.49 -0.00 0.00 -1.00 0.00 0.00 57.85 56.38 1y9x n ARG 57 Cb 0.12 -1.29 -0.00 0.00 -1.05 0.00 0.00 32.46 30.24 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 -0.04 1.73 0.17 2.89 5.15 -0.87 -3.56 115.26 120.74 1y9x n ASN 58 Ca 0.04 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.11 1y9x n ASN 58 Cb 0.22 -0.00 0.10 0.00 -0.53 0.00 0.00 39.78 39.57 1y9x n ASN 58 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1y9x h ARG 59 N -0.00 0.00 0.00 1.20 0.11 -0.96 -3.43 114.38 111.30 1y9x h ARG 59 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1y9x h ARG 59 Cb 1.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.08 1y9x h ARG 59 CO -0.00 0.15 0.00 0.34 0.10 0.00 0.00 179.97 180.56 1y9x n PHE 60 N -3.07 0.00 -3.81 4.08 7.35 -1.02 -5.04 117.46 115.95 1y9x n PHE 60 Ca 0.02 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.45 1y9x n PHE 60 Cb 0.60 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 40.27 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 -4.96 1.19 -0.19 -2.13 1.43 -1.20 -4.96 118.68 107.86 1y9x s LEU 61 Ca 0.00 -0.56 0.11 0.00 -1.03 0.00 0.00 54.13 52.66 1y9x s LEU 61 Cb 0.00 -0.68 -0.23 0.00 0.03 0.00 0.00 46.19 45.31 1y9x s LEU 61 CO 0.00 -0.23 0.09 0.00 0.23 0.00 0.00 176.35 176.44 1y9x n ALA 62 N 5.01 1.44 -0.02 4.21 0.00 -1.23 -4.29 120.51 125.62 1y9x n ALA 62 Ca -0.10 -1.15 -0.11 0.00 0.00 0.00 0.00 53.44 52.08 1y9x n ALA 62 Cb 0.48 -0.28 -0.09 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.06 -3.41 0.00 5.19 -1.93 -3.41 116.42 112.81 1y9x h ASP 63 Ca -0.52 -0.60 -0.77 0.00 -0.62 0.00 0.00 57.03 54.53 1y9x h ASP 63 Cb 2.11 0.01 -0.24 0.00 0.18 0.00 0.00 39.33 41.40 1y9x h ASP 63 CO 0.01 0.67 0.36 -0.54 -3.12 0.00 0.00 179.24 176.62 1y9x s LYS 64 N -2.80 3.70 -0.30 3.56 -0.14 -1.26 -4.93 119.74 117.57 1y9x s LYS 64 Ca -0.14 -2.40 -0.11 0.00 -1.36 0.00 0.00 55.97 51.96 1y9x s LYS 64 Cb -0.01 -4.58 0.13 0.00 -1.68 0.00 0.00 37.83 31.69 1y9x s LYS 64 CO 0.53 -1.41 0.68 -1.50 -0.76 0.00 0.00 175.35 172.89 1y9x s ILE 65 N 0.62 -0.94 -0.06 2.17 1.10 -1.26 -4.36 121.20 118.47 1y9x s ILE 65 Ca 0.24 0.00 0.05 0.00 -0.51 0.00 0.00 60.65 60.43 1y9x s ILE 65 Cb -0.09 -1.00 -0.01 0.00 0.15 0.00 0.00 42.46 41.52 1y9x s ILE 65 CO -0.09 0.00 -0.23 -1.83 -2.11 0.00 0.00 174.94 170.69 1y9x s GLU 66 N 2.83 2.36 0.07 3.50 -1.05 -1.01 -5.03 118.70 120.38 1y9x s GLU 66 Ca -0.06 -0.82 -0.20 0.00 -0.15 0.00 0.00 54.97 53.74 1y9x s GLU 66 Cb -0.11 -2.00 -0.07 0.00 -0.44 0.00 0.00 34.13 31.51 1y9x s GLU 66 CO -0.19 0.33 0.59 0.42 0.95 0.00 0.00 175.26 177.36 1y9x s ILE 67 N -0.07 4.74 -0.15 1.83 1.01 -1.26 -0.28 121.20 127.02 1y9x s ILE 67 Ca -0.05 1.26 -0.15 0.00 0.00 0.00 0.00 60.65 61.71 1y9x s ILE 67 Cb -0.13 -3.92 -0.12 0.00 0.01 0.00 0.00 42.46 38.29 1y9x s ILE 67 CO 0.04 0.53 0.22 0.11 0.00 0.00 0.00 174.94 175.83 1y9x h LYS 68 N 4.71 0.00 -1.59 2.79 1.79 -0.89 -3.47 116.57 119.91 1y9x h LYS 68 Ca -0.49 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.11 1y9x h LYS 68 Cb 1.21 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.64 1y9x h LYS 68 CO 0.65 0.51 0.63 -2.00 -1.08 0.00 0.00 179.45 178.15 1y9x s GLU 69 N -2.08 0.52 -0.12 3.15 2.56 -1.17 -5.02 118.70 116.54 1y9x s GLU 69 Ca -0.15 0.03 -0.02 0.00 0.00 0.00 0.00 54.97 54.83 1y9x s GLU 69 Cb 0.01 0.24 0.04 0.00 2.00 0.00 0.00 34.13 36.42 1y9x s GLU 69 CO 0.38 -0.18 -0.00 0.42 -0.56 0.00 0.00 175.26 175.31 1y9x s ILE 70 N -1.54 0.55 -0.06 -3.70 1.01 -1.26 -1.77 121.20 114.43 1y9x s ILE 70 Ca 0.02 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.55 1y9x s ILE 70 Cb -0.01 -0.78 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 1y9x s ILE 70 CO -0.02 0.14 -0.19 -0.13 0.00 0.00 0.00 174.94 174.73 1y9x s ARG 71 N 1.89 2.55 -0.07 2.79 0.52 -0.43 -4.96 118.95 121.23 1y9x s ARG 71 Ca 0.03 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 1y9x s ARG 71 Cb -0.14 -2.29 0.02 0.00 0.52 0.00 0.00 34.95 33.07 1y9x s ARG 71 CO -0.07 0.49 -0.05 0.08 0.02 0.00 0.00 175.30 175.78 1y9x s VAL 72 N -0.42 0.67 0.00 3.52 1.01 -1.26 -0.84 120.40 123.09 1y9x s VAL 72 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1y9x s VAL 72 Cb -0.12 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.54 1y9x s VAL 72 CO 0.02 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1y9x n GLY 73 N 4.57 1.91 3.21 4.51 0.00 -0.63 -5.00 105.19 113.76 1y9x n GLY 73 Ca -0.16 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 1y9x n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y9x s SER 74 N -0.51 3.41 -0.21 1.61 1.04 -1.26 -0.33 113.70 117.44 1y9x s SER 74 Ca 0.00 -0.54 -0.10 0.00 0.48 0.00 0.00 55.95 55.79 1y9x s SER 74 Cb 0.00 -1.51 -0.05 0.00 0.10 0.00 0.00 66.02 64.56 1y9x s SER 74 CO 0.00 0.07 0.14 -1.58 0.98 0.00 0.00 173.24 172.85 1y9x s GLN 75 N 0.90 4.15 -0.34 4.02 0.74 0.77 -4.86 119.66 125.04 1y9x s GLN 75 Ca -0.04 -0.24 -0.23 0.00 0.05 0.00 0.00 55.36 54.90 1y9x s GLN 75 Cb -0.15 -3.46 0.01 0.00 1.10 0.00 0.00 33.01 30.50 1y9x s GLN 75 CO -0.03 0.21 0.79 0.08 -0.55 0.00 0.00 175.29 175.80 1y9x s VAL 76 N 0.61 4.75 0.28 1.34 1.01 -1.26 -0.73 120.40 126.41 1y9x s VAL 76 Ca 0.08 1.02 0.11 0.00 0.00 0.00 0.00 61.98 63.19 1y9x s VAL 76 Cb -0.12 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 1y9x s VAL 76 CO 0.00 -0.36 -0.18 0.68 0.00 0.00 0.00 175.10 175.24 1y9x s VAL 77 N 3.05 2.38 -0.16 2.92 -7.23 0.91 -4.93 120.40 117.34 1y9x s VAL 77 Ca 0.32 -2.37 -0.18 0.00 -1.81 0.00 0.00 61.98 57.94 1y9x s VAL 77 Cb -0.14 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 1y9x s VAL 77 CO 0.15 -0.40 0.50 0.42 -0.31 0.00 0.00 175.10 175.47 1y9x s THR 78 N -2.57 5.14 -0.41 5.32 -4.23 -1.26 0.00 115.64 117.63 1y9x s THR 78 Ca 0.30 0.96 0.22 0.00 -1.18 0.00 0.00 61.69 61.99 1y9x s THR 78 Cb -0.04 -3.83 0.32 0.00 1.34 0.00 0.00 72.50 70.29 1y9x s THR 78 CO 0.14 0.25 1.60 -1.28 -0.54 0.00 0.00 174.62 174.79 1y9x h SER 79 N 7.11 0.00 0.00 3.99 0.87 -0.72 -3.47 113.55 121.34 1y9x h SER 79 Ca -0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1y9x h SER 79 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1y9x h SER 79 CO 0.75 0.04 0.00 1.67 -0.53 0.00 0.00 176.83 178.76 1y9x n GLN 80 N -3.11 0.00 0.00 2.24 7.27 -1.26 -5.02 117.38 117.50 1y9x n GLN 80 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 1y9x n GLN 80 Cb 0.55 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.20 1y9x n GLN 80 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1y9x n ASP 81 N -0.70 0.00 -1.13 1.69 8.00 -1.26 -4.90 116.55 118.25 1y9x n ASP 81 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 1y9x n ASP 81 Cb 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.28 1y9x n ASP 81 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y9x n GLY 82 N 3.42 5.17 3.29 0.44 0.00 -1.26 -4.91 105.19 111.34 1y9x n GLY 82 Ca 0.00 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.18 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 -3.31 2.65 0.11 1.61 3.52 -1.26 -5.03 118.95 117.23 1y9x s ARG 83 Ca 0.44 -1.35 -0.27 0.00 -0.13 0.00 0.00 55.73 54.43 1y9x s ARG 83 Cb 0.40 -3.73 -0.06 0.00 -1.56 0.00 0.00 34.95 29.99 1y9x s ARG 83 CO -0.02 -0.87 0.83 -0.65 -0.81 0.00 0.00 175.30 173.78 1y9x s GLN 84 N 1.45 4.59 -0.02 5.12 1.11 -1.26 0.05 119.66 130.70 1y9x s GLN 84 Ca 0.02 1.22 0.03 0.00 0.01 0.00 0.00 55.36 56.64 1y9x s GLN 84 Cb -0.22 -3.33 -0.00 0.00 -1.01 0.00 0.00 33.01 28.45 1y9x s GLN 84 CO 0.03 0.36 -0.11 0.45 0.01 0.00 0.00 175.29 176.03 1y9x s SER 85 N -0.41 1.42 -0.27 5.90 0.15 0.10 -4.88 113.70 115.71 1y9x s SER 85 Ca 0.40 -0.22 -0.10 0.00 0.70 0.00 0.00 55.95 56.73 1y9x s SER 85 Cb -0.22 -0.32 -0.05 0.00 -1.71 0.00 0.00 66.02 63.72 1y9x s SER 85 CO 0.26 0.10 0.17 -0.13 1.20 0.00 0.00 173.24 174.84 1y9x s ARG 86 N 0.05 3.91 -0.15 5.44 0.52 -1.26 -0.06 118.95 127.39 1y9x s ARG 86 Ca -0.01 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.86 1y9x s ARG 86 Cb -0.08 -3.59 -0.00 0.00 0.52 0.00 0.00 34.95 31.79 1y9x s ARG 86 CO 0.00 -0.16 -0.15 0.08 0.02 0.00 0.00 175.30 175.09 1y9x s VAL 87 N 1.68 2.68 0.10 3.52 1.01 0.10 -4.88 120.40 124.60 1y9x s VAL 87 Ca 0.07 -0.77 -0.31 0.00 0.00 0.00 0.00 61.98 60.97 1y9x s VAL 87 Cb -0.16 -2.12 -0.08 0.00 0.00 0.00 0.00 36.38 34.02 1y9x s VAL 87 CO 0.09 0.52 1.47 -0.94 0.00 0.00 0.00 175.10 176.24 1y9x s SER 88 N 0.71 6.74 0.25 3.32 1.04 -1.26 -0.16 113.70 124.35 1y9x s SER 88 Ca -0.07 2.38 0.10 0.00 0.48 0.00 0.00 55.95 58.84 1y9x s SER 88 Cb -0.16 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.33 1y9x s SER 88 CO 0.01 -0.74 -0.17 0.42 0.98 0.00 0.00 173.24 173.75 1y9x s THR 89 N 1.56 2.12 -0.11 2.02 -4.23 0.56 0.05 115.64 117.61 1y9x s THR 89 Ca 0.67 -2.31 -0.05 0.00 -1.18 0.00 0.00 61.69 58.83 1y9x s THR 89 Cb -0.38 -2.21 0.05 0.00 1.34 0.00 0.00 72.50 71.30 1y9x s THR 89 CO 0.30 -0.47 0.24 -0.51 -0.54 0.00 0.00 174.62 173.64 1y9x s ILE 90 N -2.73 -0.23 -0.37 2.99 2.07 -0.87 -1.60 121.20 120.46 1y9x s ILE 90 Ca 0.27 0.24 -0.10 0.00 -1.41 0.00 0.00 60.65 59.64 1y9x s ILE 90 Cb -0.03 -0.39 0.03 0.00 0.13 0.00 0.00 42.46 42.21 1y9x s ILE 90 CO 0.11 0.10 0.19 -1.61 -1.91 0.00 0.00 174.94 171.83 1y9x s GLU 91 N 1.90 2.83 -0.26 3.50 8.01 -0.02 -2.42 118.70 132.24 1y9x s GLU 91 Ca -0.03 -1.07 -0.05 0.00 0.01 0.00 0.00 54.97 53.82 1y9x s GLU 91 Cb -0.11 -3.69 0.00 0.00 -4.31 0.00 0.00 34.13 26.02 1y9x s GLU 91 CO -0.08 -0.68 0.03 0.42 0.01 0.00 0.00 175.26 174.96 1y9x s ILE 92 N 1.54 3.71 -0.16 -1.63 1.01 -0.19 -1.31 121.20 124.17 1y9x s ILE 92 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1y9x s ILE 92 Cb -0.19 -2.83 -0.00 0.00 0.01 0.00 0.00 42.46 39.44 1y9x s ILE 92 CO 0.06 0.21 -0.15 0.00 0.00 0.00 0.00 174.94 175.06 1y9x s ALA 93 N 1.48 2.50 0.21 9.38 0.00 -0.73 -0.16 121.76 134.45 1y9x s ALA 93 Ca 0.03 -1.05 0.09 0.00 0.00 0.00 0.00 51.96 51.03 1y9x s ALA 93 Cb -0.16 -1.24 -0.05 0.00 0.00 0.00 0.00 23.12 21.67 1y9x s ALA 93 CO 0.00 -0.05 -0.16 0.96 0.00 0.00 0.00 175.76 176.51 1y9x s ILE 94 N 0.84 1.89 -0.06 0.00 -4.36 -0.54 -0.19 121.20 118.79 1y9x s ILE 94 Ca -0.05 -2.19 0.03 0.00 -0.26 0.00 0.00 60.65 58.19 1y9x s ILE 94 Cb -0.15 -2.05 0.00 0.00 1.25 0.00 0.00 42.46 41.51 1y9x s ILE 94 CO -0.00 -0.50 -0.16 -0.60 0.24 0.00 0.00 174.94 173.91 1y9x s ARG 95 N -3.44 1.94 0.19 0.37 3.52 0.62 -1.84 118.95 120.31 1y9x s ARG 95 Ca 0.22 -0.57 -0.08 0.00 -0.13 0.00 0.00 55.73 55.18 1y9x s ARG 95 Cb -0.03 -1.60 -0.06 0.00 -1.56 0.00 0.00 34.95 31.70 1y9x s ARG 95 CO 0.08 0.14 0.47 0.15 -0.81 0.00 0.00 175.30 175.34 1y9x s LYS 96 N 0.34 3.72 0.00 5.12 -0.14 0.09 -2.39 119.74 126.48 1y9x s LYS 96 Ca -0.11 0.12 0.00 0.00 -1.36 0.00 0.00 55.97 54.62 1y9x s LYS 96 Cb -0.14 -2.74 0.00 0.00 -1.68 0.00 0.00 37.83 33.27 1y9x s LYS 96 CO 0.04 0.39 0.00 1.63 -0.76 0.00 0.00 175.35 176.64