#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 6.15 -0.02 7.83 1.04 -1.26 -4.96 113.70 122.48 1y9x s SER 2 Ca 0.00 0.57 0.03 0.00 0.48 0.00 0.00 55.95 57.03 1y9x s SER 2 Cb 0.00 -1.97 0.05 0.00 0.10 0.00 0.00 66.02 64.20 1y9x s SER 2 CO 0.00 -0.51 0.92 -1.20 0.98 0.00 0.00 173.24 173.43 1y9x n SER 3 N -2.03 1.47 0.00 7.02 7.64 -1.26 -4.96 113.62 121.49 1y9x n SER 3 Ca -0.01 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.90 1y9x n SER 3 Cb 0.56 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1y9x n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y9x n GLY 4 N -0.52 0.14 3.79 0.23 0.00 -1.26 -5.13 105.19 102.45 1y9x n GLY 4 Ca 0.03 0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 4.29 0.21 2.61 -4.23 -1.26 -4.97 115.64 112.28 1y9x s THR 5 Ca 0.00 1.71 -0.08 0.00 -1.18 0.00 0.00 61.69 62.14 1y9x s THR 5 Cb 0.00 -3.98 0.14 0.00 1.34 0.00 0.00 72.50 70.01 1y9x s THR 5 CO 0.00 0.16 1.77 -0.65 -0.54 0.00 0.00 174.62 175.35 1y9x h PRO 6 N 3.22 1.16 -6.45 3.99 0.11 -2.00 -3.42 132.00 128.62 1y9x h PRO 6 Ca -0.47 -0.22 -0.54 0.00 0.11 0.00 0.00 66.00 64.88 1y9x h PRO 6 Cb 1.19 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 32.12 1y9x h PRO 6 CO 0.65 0.95 0.73 -0.08 -0.21 0.00 0.00 178.00 180.04 1y9x s THR 7 N -5.52 3.69 0.02 -1.15 -1.32 -1.26 -4.91 115.64 105.19 1y9x s THR 7 Ca -0.12 1.16 -0.24 0.00 -1.21 0.00 0.00 61.69 61.27 1y9x s THR 7 Cb 0.15 -3.74 -0.18 0.00 -1.51 0.00 0.00 72.50 67.22 1y9x s THR 7 CO 0.84 0.05 1.42 -0.65 -2.21 0.00 0.00 174.62 174.06 1y9x h PRO 8 N 7.25 0.04 0.00 7.08 0.11 -1.81 -3.48 132.00 141.20 1y9x h PRO 8 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1y9x h PRO 8 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1y9x h PRO 8 CO 0.87 0.36 0.00 0.43 -0.21 0.00 0.00 178.00 179.45 1y9x n SER 9 N -4.90 0.00 -0.29 -2.05 7.64 -1.26 -5.01 113.62 107.75 1y9x n SER 9 Ca -0.08 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.82 1y9x n SER 9 Cb 0.19 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.65 0.58 -4.19 6.43 6.94 -1.26 -5.01 115.26 118.10 1y9x n ASN 10 Ca 0.00 -2.03 -0.34 0.00 -0.02 0.00 0.00 54.58 52.20 1y9x n ASN 10 Cb 0.00 -0.19 -0.15 0.00 -2.36 0.00 0.00 39.78 37.07 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 -0.62 2.52 0.03 3.53 1.01 -1.26 -0.93 120.40 124.67 1y9x s VAL 11 Ca 0.06 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.29 1y9x s VAL 11 Cb 0.05 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1y9x s VAL 11 CO 0.01 0.50 -0.06 0.68 0.00 0.00 0.00 175.10 176.23 1y9x s VAL 12 N 1.31 3.67 -0.15 2.92 -7.23 -0.11 -4.46 120.40 116.35 1y9x s VAL 12 Ca 0.04 -0.87 -0.05 0.00 -1.81 0.00 0.00 61.98 59.30 1y9x s VAL 12 Cb -0.14 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 1y9x s VAL 12 CO -0.09 0.32 0.02 -0.76 -0.31 0.00 0.00 175.10 174.28 1y9x s LEU 13 N -1.65 3.63 -0.60 1.32 2.01 -1.26 -1.19 118.68 120.94 1y9x s LEU 13 Ca 0.19 0.05 -0.22 0.00 0.01 0.00 0.00 54.13 54.16 1y9x s LEU 13 Cb -0.11 -1.88 0.07 0.00 0.01 0.00 0.00 46.19 44.27 1y9x s LEU 13 CO 0.10 0.23 0.86 -0.63 1.01 0.00 0.00 176.35 177.92 1y9x s ILE 14 N 0.02 4.50 0.00 -0.59 -1.09 -0.76 -4.78 121.20 118.50 1y9x s ILE 14 Ca 0.04 -0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.14 1y9x s ILE 14 Cb -0.13 -4.56 0.00 0.00 -1.58 0.00 0.00 42.46 36.20 1y9x s ILE 14 CO 0.02 -1.22 0.00 0.61 -1.23 0.00 0.00 174.94 173.12 1y9x n GLY 15 N 5.25 -0.99 0.00 6.18 0.00 -1.26 -4.47 105.19 109.90 1y9x n GLY 15 Ca -0.04 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -3.18 1.61 4.81 -1.26 -5.15 118.16 114.99 1y9x n LYS 16 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 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 0.00 3.51 0.76 1.64 3.01 -1.26 -5.10 119.74 122.30 1y9x s LYS 17 Ca 0.00 -0.18 -0.11 0.00 -1.01 0.00 0.00 55.97 54.67 1y9x s LYS 17 Cb 0.00 -2.58 0.05 0.00 -1.01 0.00 0.00 37.83 34.28 1y9x s LYS 17 CO 0.00 0.06 1.08 -1.25 0.51 0.00 0.00 175.35 175.75 1y9x s PRO 18 N -4.41 2.39 0.26 -1.68 0.04 -1.26 -4.96 135.00 125.39 1y9x s PRO 18 Ca 0.42 0.86 -0.02 0.00 0.04 0.00 0.00 61.00 62.30 1y9x s PRO 18 Cb -0.10 -1.94 0.47 0.00 0.04 0.00 0.00 34.50 32.98 1y9x s PRO 18 CO 0.38 -1.46 1.82 -0.24 0.04 0.00 0.00 177.00 177.54 1y9x h VAL 19 N -0.98 0.90 -0.02 -0.36 3.04 -1.99 -1.34 116.25 115.51 1y9x h VAL 19 Ca -0.45 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 64.94 1y9x h VAL 19 Cb 1.24 -0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 30.48 1y9x h VAL 19 CO 0.57 0.16 0.02 0.00 -1.01 0.00 0.00 177.57 177.30 1y9x h MET 20 N 0.87 0.03 -0.10 4.17 -0.00 -1.99 -1.54 114.93 116.37 1y9x h MET 20 Ca 0.44 -0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.98 1y9x h MET 20 Cb 0.43 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 32.02 1y9x h MET 20 CO -0.26 0.02 -0.63 -0.97 -0.00 0.00 0.00 176.91 175.06 1y9x h ASN 21 N 0.03 0.43 0.39 -0.10 -1.24 -1.61 -2.59 115.58 110.88 1y9x h ASN 21 Ca 0.01 -0.25 -0.16 0.00 0.71 0.00 0.00 56.30 56.60 1y9x h ASN 21 Cb 0.01 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 1y9x h ASN 21 CO -0.00 0.95 -0.68 1.88 -1.29 0.00 0.00 177.43 178.29 1y9x h TYR 22 N 0.27 0.35 0.55 0.67 0.05 -1.30 -1.56 116.97 116.00 1y9x h TYR 22 Ca -0.01 -0.15 -0.03 0.00 0.05 0.00 0.00 58.73 58.59 1y9x h TYR 22 Cb 1.17 -0.06 0.01 0.00 1.01 0.00 0.00 36.73 38.86 1y9x h TYR 22 CO 0.04 0.86 -0.26 0.28 -1.05 0.00 0.00 178.16 178.02 1y9x h VAL 23 N 0.18 0.44 0.00 -2.88 2.07 -1.25 -1.08 116.25 113.73 1y9x h VAL 23 Ca -0.02 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1y9x h VAL 23 Cb 1.22 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1y9x h VAL 23 CO 0.11 0.02 -0.09 -0.07 0.02 0.00 0.00 177.57 177.56 1y9x h LEU 24 N -0.82 0.00 -0.36 2.57 4.07 -1.47 -2.11 115.31 117.20 1y9x h LEU 24 Ca -0.07 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.77 1y9x h LEU 24 Cb 0.60 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 1y9x h LEU 24 CO 0.12 0.09 -0.23 0.00 -1.08 0.00 0.00 178.44 177.35 1y9x h ALA 25 N 1.91 0.51 -0.61 1.53 0.00 -0.94 -2.18 119.26 119.48 1y9x h ALA 25 Ca -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1y9x h ALA 25 Cb 0.20 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1y9x h ALA 25 CO 0.01 0.49 0.22 0.00 0.00 0.00 0.00 179.25 179.97 1y9x h ALA 26 N 0.78 0.79 -0.20 0.00 0.00 -0.52 -2.07 119.26 118.04 1y9x h ALA 26 Ca 0.07 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1y9x h ALA 26 Cb 0.79 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1y9x h ALA 26 CO 0.06 0.42 -0.20 -0.07 0.00 0.00 0.00 179.25 179.46 1y9x h LEU 27 N 0.85 0.34 -1.00 0.00 4.07 -1.46 -1.88 115.31 116.23 1y9x h LEU 27 Ca 0.20 -0.10 -0.06 0.00 0.08 0.00 0.00 57.88 58.00 1y9x h LEU 27 Cb 0.23 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 1y9x h LEU 27 CO -0.01 0.56 0.06 0.74 -1.08 0.00 0.00 178.44 178.70 1y9x h THR 28 N 0.32 1.23 -0.18 0.22 2.02 -0.88 -2.65 112.91 112.99 1y9x h THR 28 Ca 0.06 -0.89 -0.15 0.00 0.77 0.00 0.00 66.41 66.19 1y9x h THR 28 Cb 0.54 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1y9x h THR 28 CO 0.04 0.32 -0.52 -0.07 0.37 0.00 0.00 175.52 175.66 1y9x h LEU 29 N 0.74 0.55 -0.77 2.58 3.38 -0.75 -2.95 115.31 118.09 1y9x h LEU 29 Ca 0.16 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1y9x h LEU 29 Cb 0.37 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1y9x h LEU 29 CO 0.01 0.97 0.48 -0.07 0.09 0.00 0.00 178.44 179.92 1y9x h LEU 30 N 0.39 0.79 -1.73 1.67 3.38 -1.02 0.44 115.31 119.22 1y9x h LEU 30 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1y9x h LEU 30 Cb 1.04 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1y9x h LEU 30 CO 0.09 0.54 -0.13 0.78 0.09 0.00 0.00 178.44 179.82 1y9x h ASN 31 N 0.94 0.00 0.16 -0.43 4.21 -1.33 -1.49 115.58 117.63 1y9x h ASN 31 Ca 0.31 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.82 1y9x h ASN 31 Cb 0.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 1y9x h ASN 31 CO -0.12 0.13 -0.10 0.00 -1.29 0.00 0.00 177.43 176.04 1y9x n GLN 32 N -3.48 1.10 0.00 0.81 1.13 -0.54 -4.89 117.38 111.51 1y9x n GLN 32 Ca -0.01 -0.54 0.00 0.00 -1.94 0.00 0.00 57.00 54.51 1y9x n GLN 32 Cb 0.28 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.14 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 1.23 0.96 3.35 1.08 0.00 -0.56 -5.04 105.19 106.22 1y9x n GLY 33 Ca 0.16 0.00 -0.46 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 5.21 -0.23 1.61 1.01 0.03 -4.85 120.40 121.19 1y9x s VAL 34 Ca 0.00 -1.77 0.19 0.00 0.00 0.00 0.00 61.98 60.40 1y9x s VAL 34 Cb 0.00 -4.48 0.05 0.00 0.00 0.00 0.00 36.38 31.95 1y9x s VAL 34 CO 0.00 -1.08 1.20 0.28 0.00 0.00 0.00 175.10 175.50 1y9x h SER 35 N 8.52 0.00 -3.60 3.32 0.02 -1.85 -3.15 113.55 116.81 1y9x h SER 35 Ca -0.08 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.17 1y9x h SER 35 Cb 1.06 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.31 1y9x h SER 35 CO 0.95 0.26 -0.57 -1.61 -1.14 0.00 0.00 176.83 174.72 1y9x s GLU 36 N -3.13 2.52 0.01 3.45 2.02 -1.26 -0.73 118.70 121.58 1y9x s GLU 36 Ca 0.01 -1.34 0.08 0.00 0.02 0.00 0.00 54.97 53.75 1y9x s GLU 36 Cb 0.08 -3.53 -0.02 0.00 0.10 0.00 0.00 34.13 30.75 1y9x s GLU 36 CO 0.76 -0.78 -0.25 0.96 0.02 0.00 0.00 175.26 175.96 1y9x s ILE 37 N 1.36 2.18 -0.17 -1.63 -0.00 -1.15 -4.91 121.20 116.89 1y9x s ILE 37 Ca 0.00 -1.21 -0.00 0.00 -0.00 0.00 0.00 60.65 59.44 1y9x s ILE 37 Cb -0.21 -1.81 0.00 0.00 -0.00 0.00 0.00 42.46 40.45 1y9x s ILE 37 CO 0.01 0.48 -0.14 -0.69 -0.00 0.00 0.00 174.94 174.60 1y9x s VAL 38 N -0.71 2.70 -0.21 8.37 1.01 -0.11 -2.79 120.40 128.66 1y9x s VAL 38 Ca 0.11 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 1y9x s VAL 38 Cb -0.10 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1y9x s VAL 38 CO 0.01 0.50 0.03 -0.63 0.00 0.00 0.00 175.10 175.01 1y9x s ILE 39 N 0.98 4.19 -0.15 2.22 1.01 0.04 -0.93 121.20 128.56 1y9x s ILE 39 Ca -0.02 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.42 1y9x s ILE 39 Cb -0.15 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.42 1y9x s ILE 39 CO -0.02 0.40 -0.21 -0.54 0.00 0.00 0.00 174.94 174.57 1y9x s LYS 40 N 1.11 2.99 0.28 2.79 1.02 -0.34 -0.91 119.74 126.67 1y9x s LYS 40 Ca 0.03 -0.84 0.11 0.00 0.02 0.00 0.00 55.97 55.29 1y9x s LYS 40 Cb -0.14 -2.44 -0.05 0.00 -0.52 0.00 0.00 37.83 34.68 1y9x s LYS 40 CO 0.02 -0.05 -0.12 0.00 -0.92 0.00 0.00 175.35 174.27 1y9x s ALA 41 N 0.92 2.91 0.03 5.17 0.00 -0.76 -1.83 121.76 128.19 1y9x s ALA 41 Ca -0.05 -1.80 0.04 0.00 0.00 0.00 0.00 51.96 50.16 1y9x s ALA 41 Cb -0.15 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 1y9x s ALA 41 CO -0.04 0.27 -0.12 1.03 0.00 0.00 0.00 175.76 176.90 1y9x s ARG 42 N -3.57 0.84 7.25 0.00 0.52 -1.26 -1.81 118.95 120.92 1y9x s ARG 42 Ca 0.31 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 1y9x s ARG 42 Cb -0.05 -0.82 0.00 0.00 0.52 0.00 0.00 34.95 34.60 1y9x s ARG 42 CO 0.17 0.20 0.00 0.41 0.02 0.00 0.00 175.30 176.10 1y9x n GLY 43 N 2.04 2.32 0.40 -3.53 0.00 0.90 -2.37 105.19 104.94 1y9x n GLY 43 Ca -0.18 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 13.04 1.55 -0.00 1.61 1.74 -1.26 -3.49 116.66 129.84 1y9x n ARG 44 Ca 0.00 -0.79 0.13 0.00 -0.77 0.00 0.00 57.85 56.41 1y9x n ARG 44 Cb 0.00 -1.48 0.73 0.00 -1.02 0.00 0.00 32.46 30.69 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 -0.03 2.64 -0.34 7.54 0.00 -1.00 -3.46 120.51 125.86 1y9x n ALA 45 Ca 0.20 -0.18 0.02 0.00 0.00 0.00 0.00 53.44 53.47 1y9x n ALA 45 Cb 0.31 -1.39 0.16 0.00 0.00 0.00 0.00 19.45 18.53 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 0.17 1.07 0.00 0.00 2.04 -1.76 -0.11 117.51 118.92 1y9x h ILE 46 Ca 0.00 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1y9x h ILE 46 Cb 0.04 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.01 1y9x h ILE 46 CO 0.00 0.20 0.00 -1.28 0.00 0.00 0.00 178.15 177.07 1y9x h SER 47 N 1.08 0.00 0.36 1.72 0.87 -1.88 -2.59 113.55 113.10 1y9x h SER 47 Ca 0.40 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.64 1y9x h SER 47 Cb 0.16 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 1y9x h SER 47 CO -0.17 0.00 -1.80 0.50 -0.53 0.00 0.00 176.83 174.83 1y9x h LYS 48 N 0.00 0.11 -0.51 2.24 3.64 -1.28 -3.15 116.57 117.62 1y9x h LYS 48 Ca 0.00 -0.19 -0.09 0.00 -1.27 0.00 0.00 60.65 59.11 1y9x h LYS 48 Cb 0.44 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1y9x h LYS 48 CO 0.00 0.79 -0.01 0.00 -2.27 0.00 0.00 179.45 177.96 1y9x h ALA 49 N 0.63 0.69 -0.35 5.00 0.00 -0.86 -1.99 119.26 122.39 1y9x h ALA 49 Ca -0.33 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.20 1y9x h ALA 49 Cb 2.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1y9x h ALA 49 CO 0.09 0.52 -0.11 -0.24 0.00 0.00 0.00 179.25 179.50 1y9x h VAL 50 N 0.78 1.28 -0.67 0.00 3.04 -1.62 -2.24 116.25 116.82 1y9x h VAL 50 Ca 0.14 -1.19 0.09 0.00 -1.01 0.00 0.00 66.70 64.73 1y9x h VAL 50 Cb 0.54 1.34 -0.07 0.00 -2.01 0.00 0.00 31.29 31.09 1y9x h VAL 50 CO 0.03 0.39 0.32 -0.78 -1.01 0.00 0.00 177.57 176.52 1y9x h ASP 51 N 0.47 0.41 0.22 3.17 3.58 -1.49 0.19 116.42 122.97 1y9x h ASP 51 Ca 0.08 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1y9x h ASP 51 Cb 0.63 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 1y9x h ASP 51 CO 0.04 0.24 -0.19 0.74 -2.88 0.00 0.00 179.24 177.19 1y9x h THR 52 N 0.56 0.58 -0.01 2.25 2.02 -1.19 -1.79 112.91 115.33 1y9x h THR 52 Ca 0.33 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.42 1y9x h THR 52 Cb 0.34 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1y9x h THR 52 CO -0.26 0.00 -0.42 -0.37 0.37 0.00 0.00 175.52 174.83 1y9x h VAL 53 N -0.44 1.31 -0.21 3.16 -1.51 -0.74 -2.14 116.25 115.69 1y9x h VAL 53 Ca -0.01 -1.46 0.00 0.00 -1.23 0.00 0.00 66.70 64.00 1y9x h VAL 53 Cb 0.40 1.78 -0.01 0.00 -2.13 0.00 0.00 31.29 31.33 1y9x h VAL 53 CO -0.03 0.42 0.13 -0.33 -1.23 0.00 0.00 177.57 176.54 1y9x h GLU 54 N 0.01 0.27 -0.91 5.19 5.08 -0.42 -2.03 114.58 121.77 1y9x h GLU 54 Ca -0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1y9x h GLU 54 Cb 0.76 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1y9x h GLU 54 CO 0.06 0.19 0.57 0.82 -1.00 0.00 0.00 179.01 179.64 1y9x h ILE 55 N 0.27 1.25 0.00 3.13 2.04 -0.82 -0.63 117.51 122.76 1y9x h ILE 55 Ca 0.08 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 1y9x h ILE 55 Cb -0.02 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.00 1y9x h ILE 55 CO -0.02 0.25 -0.19 0.58 0.00 0.00 0.00 178.15 178.78 1y9x h VAL 56 N 1.25 0.88 -0.21 1.67 2.07 -1.14 -1.79 116.25 118.99 1y9x h VAL 56 Ca 0.33 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1y9x h VAL 56 Cb -0.08 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1y9x h VAL 56 CO -0.06 0.18 0.00 -2.11 0.02 0.00 0.00 177.57 175.60 1y9x n ARG 57 N -3.96 2.32 -0.07 1.57 1.85 -0.78 -3.89 116.66 113.71 1y9x n ARG 57 Ca -0.02 -2.06 0.02 0.00 -1.00 0.00 0.00 57.85 54.79 1y9x n ARG 57 Cb 0.27 -1.47 0.06 0.00 -1.05 0.00 0.00 32.46 30.27 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 1.36 2.33 0.00 2.89 4.13 -0.31 -3.99 115.26 121.67 1y9x n ASN 58 Ca 0.16 -1.98 0.00 0.00 1.68 0.00 0.00 54.58 54.44 1y9x n ASN 58 Cb 0.58 -0.09 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 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 -0.10 0.00 0.29 3.52 0.63 -0.89 -4.98 116.66 115.13 1y9x n ARG 59 Ca 0.04 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.86 1y9x n ARG 59 Cb 0.31 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.17 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 0.00 -0.68 -3.03 -0.14 3.57 -1.78 -3.42 116.94 111.46 1y9x h PHE 60 Ca 0.00 -0.02 -0.39 0.00 3.53 0.00 0.00 57.97 61.09 1y9x h PHE 60 Cb 0.00 0.23 -0.39 0.00 2.79 0.00 0.00 35.95 38.58 1y9x h PHE 60 CO 0.00 -0.42 -0.71 -0.51 -2.23 0.00 0.00 178.31 174.43 1y9x s LEU 61 N -7.28 0.17 -0.19 0.59 1.43 -1.26 -4.99 118.68 107.15 1y9x s LEU 61 Ca -0.11 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 52.80 1y9x s LEU 61 Cb 0.01 -0.05 -0.22 0.00 0.03 0.00 0.00 46.19 45.97 1y9x s LEU 61 CO 0.32 -0.31 0.07 0.00 0.23 0.00 0.00 176.35 176.66 1y9x n ALA 62 N 5.30 1.38 -0.04 4.21 0.00 -1.26 -4.47 120.51 125.62 1y9x n ALA 62 Ca -0.06 -1.06 -0.14 0.00 0.00 0.00 0.00 53.44 52.19 1y9x n ALA 62 Cb 0.49 -0.31 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 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 0.01 0.41 -3.18 0.00 3.32 -1.94 -3.39 116.42 111.64 1y9x h ASP 63 Ca -0.51 -0.59 -0.75 0.00 0.02 0.00 0.00 57.03 55.20 1y9x h ASP 63 Cb 2.04 -0.12 -0.23 0.00 0.22 0.00 0.00 39.33 41.24 1y9x h ASP 63 CO -0.00 0.92 -0.06 -0.54 -1.72 0.00 0.00 179.24 177.84 1y9x s LYS 64 N -3.87 3.15 -0.25 3.56 1.02 -1.26 -4.98 119.74 117.10 1y9x s LYS 64 Ca -0.14 -1.79 -0.22 0.00 0.02 0.00 0.00 55.97 53.84 1y9x s LYS 64 Cb 0.04 -4.34 0.07 0.00 -0.52 0.00 0.00 37.83 33.08 1y9x s LYS 64 CO 0.77 -1.38 0.67 -1.50 -0.92 0.00 0.00 175.35 172.99 1y9x s ILE 65 N 1.55 -0.00 0.10 2.17 1.10 -1.26 -4.35 121.20 120.51 1y9x s ILE 65 Ca 0.09 0.00 0.08 0.00 -0.51 0.00 0.00 60.65 60.31 1y9x s ILE 65 Cb -0.24 -0.93 -0.04 0.00 0.15 0.00 0.00 42.46 41.40 1y9x s ILE 65 CO 0.01 0.00 -0.21 -0.70 -2.11 0.00 0.00 174.94 171.93 1y9x s GLU 66 N 0.55 1.14 -0.10 3.50 2.56 -0.18 -4.99 118.70 121.18 1y9x s GLU 66 Ca -0.02 -1.17 -0.02 0.00 0.00 0.00 0.00 54.97 53.76 1y9x s GLU 66 Cb -0.05 -1.42 -0.03 0.00 2.00 0.00 0.00 34.13 34.63 1y9x s GLU 66 CO -0.02 0.33 -0.01 -1.50 -0.56 0.00 0.00 175.26 173.50 1y9x s ILE 67 N -1.15 4.19 -0.24 -3.70 1.10 -1.26 -0.88 121.20 119.26 1y9x s ILE 67 Ca 0.07 -0.28 -0.15 0.00 -0.51 0.00 0.00 60.65 59.78 1y9x s ILE 67 Cb -0.10 -2.78 -0.10 0.00 0.15 0.00 0.00 42.46 39.63 1y9x s ILE 67 CO 0.04 0.57 -0.35 1.17 -2.11 0.00 0.00 174.94 174.27 1y9x n LYS 68 N 2.54 0.55 -3.62 3.50 4.81 -0.35 -4.83 118.16 120.77 1y9x n LYS 68 Ca -0.18 0.24 -0.08 0.00 -0.87 0.00 0.00 58.31 57.41 1y9x n LYS 68 Cb 0.53 -1.44 -0.06 0.00 0.02 0.00 0.00 35.03 34.08 1y9x n LYS 68 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1y9x s GLU 69 N -2.64 0.45 -0.07 1.64 2.12 -1.00 -5.02 118.70 114.18 1y9x s GLU 69 Ca -0.34 0.31 -0.01 0.00 0.36 0.00 0.00 54.97 55.28 1y9x s GLU 69 Cb 0.11 0.21 0.03 0.00 0.26 0.00 0.00 34.13 34.74 1y9x s GLU 69 CO 0.46 -0.10 0.00 0.42 -0.54 0.00 0.00 175.26 175.50 1y9x s ILE 70 N -0.43 0.38 -0.03 -3.70 1.01 -1.26 -0.75 121.20 116.42 1y9x s ILE 70 Ca 0.02 0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.81 1y9x s ILE 70 Cb -0.03 -0.55 -0.00 0.00 0.01 0.00 0.00 42.46 41.89 1y9x s ILE 70 CO -0.04 0.25 -0.14 -0.13 0.00 0.00 0.00 174.94 174.88 1y9x s ARG 71 N 1.97 1.34 -0.18 2.79 0.52 -0.20 -4.98 118.95 120.20 1y9x s ARG 71 Ca 0.05 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 54.79 1y9x s ARG 71 Cb -0.12 -1.22 0.02 0.00 0.52 0.00 0.00 34.95 34.15 1y9x s ARG 71 CO -0.05 0.21 -0.18 0.08 0.02 0.00 0.00 175.30 175.38 1y9x s VAL 72 N 0.00 2.01 0.25 3.52 1.01 -1.26 -0.26 120.40 125.66 1y9x s VAL 72 Ca -0.01 -0.97 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 1y9x s VAL 72 Cb -0.09 -1.85 0.03 0.00 0.00 0.00 0.00 36.38 34.47 1y9x s VAL 72 CO 0.01 0.47 0.66 -0.83 0.00 0.00 0.00 175.10 175.41 1y9x s GLY 73 N 1.30 -0.14 -0.27 4.51 0.00 -0.11 -5.00 107.32 107.60 1y9x s GLY 73 Ca 0.04 -0.19 -0.24 0.00 0.00 0.00 0.00 44.72 44.32 1y9x s GLY 73 CO -0.12 -0.10 0.80 -0.56 0.00 0.00 0.00 173.10 173.13 1y9x s SER 74 N -2.89 6.74 -0.13 1.64 0.01 -1.26 -0.20 113.70 117.60 1y9x s SER 74 Ca 0.10 0.85 -0.14 0.00 1.31 0.00 0.00 55.95 58.07 1y9x s SER 74 Cb -0.04 -2.42 -0.05 0.00 0.21 0.00 0.00 66.02 63.72 1y9x s SER 74 CO 0.02 -0.56 0.32 -1.58 0.41 0.00 0.00 173.24 171.85 1y9x s GLN 75 N 2.90 4.17 -0.48 12.44 2.00 0.56 -4.86 119.66 136.39 1y9x s GLN 75 Ca 0.33 0.15 -0.20 0.00 -2.00 0.00 0.00 55.36 53.65 1y9x s GLN 75 Cb -0.15 -3.39 0.04 0.00 0.80 0.00 0.00 33.01 30.32 1y9x s GLN 75 CO 0.10 0.32 0.64 0.08 -0.50 0.00 0.00 175.29 175.93 1y9x s VAL 76 N 0.21 4.83 0.29 1.34 1.01 -1.26 -0.78 120.40 126.05 1y9x s VAL 76 Ca 0.18 -0.21 0.11 0.00 0.00 0.00 0.00 61.98 62.06 1y9x s VAL 76 Cb -0.14 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 1y9x s VAL 76 CO 0.06 -0.73 -0.10 0.68 0.00 0.00 0.00 175.10 175.01 1y9x s VAL 77 N 2.77 2.76 0.10 2.92 -7.23 -0.05 -4.93 120.40 116.73 1y9x s VAL 77 Ca 0.19 -2.18 0.01 0.00 -1.81 0.00 0.00 61.98 58.19 1y9x s VAL 77 Cb -0.17 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 1y9x s VAL 77 CO 0.15 -0.34 0.24 0.42 -0.31 0.00 0.00 175.10 175.26 1y9x s THR 78 N -2.47 5.33 0.00 5.32 -4.23 -1.26 0.31 115.64 118.64 1y9x s THR 78 Ca 0.31 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 1y9x s THR 78 Cb -0.04 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.13 1y9x s THR 78 CO 0.17 0.02 0.00 -0.24 -0.54 0.00 0.00 174.62 174.04 1y9x n SER 79 N -0.12 0.00 -0.09 3.99 2.88 -0.31 -4.89 113.62 115.09 1y9x n SER 79 Ca -0.06 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1y9x n SER 79 Cb 0.52 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1y9x n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y9x n GLN 80 N -1.70 0.00 0.00 -1.46 10.64 -1.26 -5.09 117.38 118.51 1y9x n GLN 80 Ca 0.00 -0.14 0.00 0.00 -1.83 0.00 0.00 57.00 55.03 1y9x n GLN 80 Cb 0.00 -0.12 0.00 0.00 -0.86 0.00 0.00 30.24 29.26 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 0.00 -0.05 2.61 2.03 -1.26 -5.00 116.55 114.87 1y9x n ASP 81 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1y9x n ASP 81 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 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 0.00 -0.60 3.59 0.27 0.00 -1.26 -4.71 105.19 102.48 1y9x n GLY 82 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1y9x n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y9x s ARG 83 N -1.89 3.33 0.05 1.61 0.52 -1.26 -4.98 118.95 116.33 1y9x s ARG 83 Ca 0.00 0.84 -0.20 0.00 -0.52 0.00 0.00 55.73 55.85 1y9x s ARG 83 Cb 0.00 -4.13 -0.06 0.00 0.52 0.00 0.00 34.95 31.28 1y9x s ARG 83 CO 0.00 -1.87 0.60 -0.65 0.02 0.00 0.00 175.30 173.40 1y9x s GLN 84 N 5.50 4.29 -0.06 3.54 -0.21 -1.26 -1.17 119.66 130.29 1y9x s GLN 84 Ca 0.63 0.78 0.02 0.00 0.02 0.00 0.00 55.36 56.81 1y9x s GLN 84 Cb -0.14 -3.29 0.01 0.00 1.00 0.00 0.00 33.01 30.59 1y9x s GLN 84 CO 0.29 0.51 -0.12 -1.12 -2.12 0.00 0.00 175.29 172.73 1y9x s SER 85 N -0.68 1.73 -0.27 5.90 0.01 0.15 -4.95 113.70 115.59 1y9x s SER 85 Ca 0.31 -0.29 -0.15 0.00 1.31 0.00 0.00 55.95 57.13 1y9x s SER 85 Cb -0.19 -0.78 -0.04 0.00 0.21 0.00 0.00 66.02 65.22 1y9x s SER 85 CO 0.19 0.04 0.38 -0.13 0.41 0.00 0.00 173.24 174.13 1y9x s ARG 86 N 0.62 4.02 -0.11 12.44 0.52 -1.26 -0.87 118.95 134.31 1y9x s ARG 86 Ca -0.14 0.06 0.02 0.00 -0.52 0.00 0.00 55.73 55.15 1y9x s ARG 86 Cb -0.15 -3.65 -0.01 0.00 0.52 0.00 0.00 34.95 31.66 1y9x s ARG 86 CO 0.03 -0.28 -0.20 0.08 0.02 0.00 0.00 175.30 174.96 1y9x s VAL 87 N 2.07 2.47 -0.04 3.52 1.01 0.04 -4.89 120.40 124.58 1y9x s VAL 87 Ca 0.15 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 1y9x s VAL 87 Cb -0.16 -1.98 -0.07 0.00 0.00 0.00 0.00 36.38 34.17 1y9x s VAL 87 CO 0.10 0.55 1.90 -0.44 0.00 0.00 0.00 175.10 177.20 1y9x s SER 88 N 0.32 6.38 0.16 3.32 0.01 -1.26 -0.32 113.70 122.30 1y9x s SER 88 Ca -0.15 2.39 0.08 0.00 1.31 0.00 0.00 55.95 59.58 1y9x s SER 88 Cb -0.17 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 1y9x s SER 88 CO 0.07 -1.15 -0.17 0.42 0.41 0.00 0.00 173.24 172.82 1y9x s THR 89 N 4.88 1.73 -0.03 1.44 -4.23 0.71 -0.07 115.64 120.07 1y9x s THR 89 Ca 0.85 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.48 1y9x s THR 89 Cb -0.38 -1.79 0.02 0.00 1.34 0.00 0.00 72.50 71.69 1y9x s THR 89 CO 0.37 -0.34 -0.01 -0.51 -0.54 0.00 0.00 174.62 173.59 1y9x s ILE 90 N -2.08 0.27 -0.30 2.99 2.07 -0.75 -0.94 121.20 122.45 1y9x s ILE 90 Ca 0.15 0.01 -0.03 0.00 -1.41 0.00 0.00 60.65 59.36 1y9x s ILE 90 Cb -0.05 -0.33 0.04 0.00 0.13 0.00 0.00 42.46 42.25 1y9x s ILE 90 CO 0.06 0.15 0.02 -1.61 -1.91 0.00 0.00 174.94 171.65 1y9x s GLU 91 N 0.83 2.57 -0.24 3.50 2.02 0.64 -1.84 118.70 126.19 1y9x s GLU 91 Ca -0.09 -1.18 -0.04 0.00 0.02 0.00 0.00 54.97 53.68 1y9x s GLU 91 Cb -0.12 -3.23 -0.00 0.00 0.10 0.00 0.00 34.13 30.87 1y9x s GLU 91 CO -0.01 -0.59 -0.01 0.42 0.02 0.00 0.00 175.26 175.09 1y9x s ILE 92 N 1.31 3.48 -0.21 -1.63 1.01 -0.09 -1.03 121.20 124.05 1y9x s ILE 92 Ca -0.03 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1y9x s ILE 92 Cb -0.19 -2.65 0.02 0.00 0.01 0.00 0.00 42.46 39.65 1y9x s ILE 92 CO -0.00 0.32 -0.14 0.00 0.00 0.00 0.00 174.94 175.11 1y9x s ALA 93 N 1.47 2.49 0.24 9.38 0.00 0.07 -0.78 121.76 134.64 1y9x s ALA 93 Ca 0.04 -1.32 0.10 0.00 0.00 0.00 0.00 51.96 50.78 1y9x s ALA 93 Cb -0.15 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 1y9x s ALA 93 CO -0.02 -0.55 -0.07 0.96 0.00 0.00 0.00 175.76 176.08 1y9x s ILE 94 N 1.30 3.17 -0.19 0.00 -4.36 -1.12 -1.21 121.20 118.79 1y9x s ILE 94 Ca 0.03 -1.94 -0.01 0.00 -0.26 0.00 0.00 60.65 58.46 1y9x s ILE 94 Cb -0.15 -2.65 0.05 0.00 1.25 0.00 0.00 42.46 40.96 1y9x s ILE 94 CO -0.09 -0.30 -0.02 -0.60 0.24 0.00 0.00 174.94 174.17 1y9x s ARG 95 N -3.39 1.16 0.31 0.37 3.52 -0.06 -2.93 118.95 117.92 1y9x s ARG 95 Ca 0.29 -0.60 -0.27 0.00 -0.13 0.00 0.00 55.73 55.02 1y9x s ARG 95 Cb -0.07 -2.19 -0.10 0.00 -1.56 0.00 0.00 34.95 31.04 1y9x s ARG 95 CO 0.17 -0.56 0.97 0.15 -0.81 0.00 0.00 175.30 175.22 1y9x s LYS 96 N 1.66 4.59 0.00 5.12 -0.14 0.09 -1.01 119.74 130.05 1y9x s LYS 96 Ca -0.02 1.41 0.00 0.00 -1.36 0.00 0.00 55.97 56.01 1y9x s LYS 96 Cb -0.17 -2.88 0.00 0.00 -1.68 0.00 0.00 37.83 33.10 1y9x s LYS 96 CO -0.07 0.27 0.25 0.36 -0.76 0.00 0.00 175.35 175.39