#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 0.35 -0.08 7.83 0.15 -1.26 -5.02 113.70 115.68 1y9x s SER 2 Ca 0.00 -0.91 0.16 0.00 0.70 0.00 0.00 55.95 55.90 1y9x s SER 2 Cb 0.00 0.26 0.55 0.00 -1.71 0.00 0.00 66.02 65.11 1y9x s SER 2 CO 0.00 -0.66 1.46 -0.24 1.20 0.00 0.00 173.24 175.00 1y9x n SER 3 N 0.03 3.93 -4.64 5.45 2.88 -1.26 -4.93 113.62 115.08 1y9x n SER 3 Ca -0.13 -2.36 -0.38 0.00 -1.33 0.00 0.00 58.87 54.67 1y9x n SER 3 Cb 0.62 -0.45 -0.09 0.00 -0.75 0.00 0.00 64.21 63.54 1y9x n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1y9x s GLY 4 N -1.14 1.99 0.06 0.46 0.00 -1.26 -5.07 107.32 102.36 1y9x s GLY 4 Ca 0.40 -0.74 -0.17 0.00 0.00 0.00 0.00 44.72 44.22 1y9x s GLY 4 CO 0.20 0.76 0.51 -1.08 0.00 0.00 0.00 173.10 173.49 1y9x s THR 5 N 1.52 4.86 0.80 0.90 -1.32 -1.26 -5.07 115.64 116.07 1y9x s THR 5 Ca 0.14 1.00 -0.13 0.00 -1.21 0.00 0.00 61.69 61.49 1y9x s THR 5 Cb -0.15 -3.80 0.08 0.00 -1.51 0.00 0.00 72.50 67.12 1y9x s THR 5 CO 0.08 0.50 1.18 -2.84 -2.21 0.00 0.00 174.62 171.33 1y9x s PRO 6 N -1.28 1.73 -0.00 7.08 0.02 -1.26 -5.07 135.00 136.22 1y9x s PRO 6 Ca 0.29 1.67 0.03 0.00 0.02 0.00 0.00 61.00 63.01 1y9x s PRO 6 Cb -0.18 -1.79 -0.01 0.00 0.02 0.00 0.00 34.50 32.54 1y9x s PRO 6 CO 0.17 -2.13 -0.08 -0.08 -0.33 0.00 0.00 177.00 174.55 1y9x s THR 7 N -2.25 0.65 -0.10 0.99 -1.32 -1.26 -5.13 115.64 107.22 1y9x s THR 7 Ca 0.71 -0.41 -0.30 0.00 -1.21 0.00 0.00 61.69 60.48 1y9x s THR 7 Cb -0.27 -0.56 -0.01 0.00 -1.51 0.00 0.00 72.50 70.15 1y9x s THR 7 CO 0.51 0.14 1.03 -2.84 -2.21 0.00 0.00 174.62 171.25 1y9x s PRO 8 N -0.31 4.41 -0.28 7.08 0.02 -1.26 -5.02 135.00 139.63 1y9x s PRO 8 Ca 0.02 1.43 -0.01 0.00 0.02 0.00 0.00 61.00 62.46 1y9x s PRO 8 Cb -0.04 -3.54 0.09 0.00 0.02 0.00 0.00 34.50 31.03 1y9x s PRO 8 CO -0.00 -0.33 0.09 0.45 -0.33 0.00 0.00 177.00 176.87 1y9x s SER 9 N 1.15 3.77 0.00 2.53 0.15 -1.26 -4.94 113.70 115.10 1y9x s SER 9 Ca 0.49 -1.44 0.00 0.00 0.70 0.00 0.00 55.95 55.70 1y9x s SER 9 Cb -0.19 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.35 1y9x s SER 9 CO 0.18 -0.39 0.24 -0.46 1.20 0.00 0.00 173.24 174.01 1y9x n ASN 10 N 4.93 0.39 -4.25 5.45 0.23 -1.26 -4.94 115.26 115.81 1y9x n ASN 10 Ca -0.04 -1.04 -0.29 0.00 -0.53 0.00 0.00 54.58 52.68 1y9x n ASN 10 Cb 0.43 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.97 1y9x n ASN 10 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1y9x s VAL 11 N -0.04 1.82 0.10 3.53 -7.23 -1.26 -0.68 120.40 116.64 1y9x s VAL 11 Ca 0.00 -0.97 0.07 0.00 -1.81 0.00 0.00 61.98 59.27 1y9x s VAL 11 Cb 0.00 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 1y9x s VAL 11 CO 0.00 0.51 -0.18 0.68 -0.31 0.00 0.00 175.10 175.81 1y9x s VAL 12 N -0.38 1.47 -0.10 1.32 -7.23 -0.83 -4.99 120.40 109.65 1y9x s VAL 12 Ca 0.04 -1.52 0.02 0.00 -1.81 0.00 0.00 61.98 58.72 1y9x s VAL 12 Cb -0.10 -1.41 -0.01 0.00 0.56 0.00 0.00 36.38 35.41 1y9x s VAL 12 CO 0.01 -0.18 -0.18 -0.22 -0.31 0.00 0.00 175.10 174.21 1y9x s LEU 13 N -1.98 2.45 -0.20 1.32 2.96 -1.26 -0.84 118.68 121.12 1y9x s LEU 13 Ca 0.05 -0.41 -0.25 0.00 -0.22 0.00 0.00 54.13 53.30 1y9x s LEU 13 Cb -0.09 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 1y9x s LEU 13 CO 0.04 0.19 0.84 -0.63 -1.32 0.00 0.00 176.35 175.47 1y9x s ILE 14 N 0.16 4.85 0.00 6.68 -1.09 -0.89 -4.99 121.20 125.92 1y9x s ILE 14 Ca -0.10 1.63 0.00 0.00 -2.23 0.00 0.00 60.65 59.95 1y9x s ILE 14 Cb -0.16 -4.14 0.00 0.00 -1.58 0.00 0.00 42.46 36.59 1y9x s ILE 14 CO 0.06 -0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.35 1y9x n GLY 15 N 3.57 1.11 0.34 6.18 0.00 -1.26 -4.77 105.19 110.36 1y9x n GLY 15 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 2.75 -2.88 1.61 4.01 -1.26 -4.97 118.16 117.41 1y9x n LYS 16 Ca 0.00 -1.97 -0.35 0.00 -0.51 0.00 0.00 58.31 55.48 1y9x n LYS 16 Cb 0.00 -1.25 -0.07 0.00 -0.51 0.00 0.00 35.03 33.21 1y9x n LYS 16 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1y9x s LYS 17 N -1.42 4.34 0.58 1.97 -0.14 -1.26 -5.02 119.74 118.79 1y9x s LYS 17 Ca 0.17 1.11 -0.20 0.00 -1.36 0.00 0.00 55.97 55.69 1y9x s LYS 17 Cb 0.11 -2.55 -0.04 0.00 -1.68 0.00 0.00 37.83 33.67 1y9x s LYS 17 CO 0.07 0.18 1.22 -2.30 -0.76 0.00 0.00 175.35 173.75 1y9x n PRO 18 N 0.06 1.31 0.21 -1.68 -0.02 -1.26 -4.89 135.00 128.73 1y9x n PRO 18 Ca 0.03 0.49 0.12 0.00 -2.02 0.00 0.00 63.50 62.13 1y9x n PRO 18 Cb 0.52 -2.42 0.71 0.00 -0.02 0.00 0.00 33.50 32.29 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 0.96 0.82 0.00 -1.45 3.04 -1.96 -1.37 116.25 116.29 1y9x h VAL 19 Ca -0.50 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.18 1y9x h VAL 19 Cb 1.33 0.93 -0.00 0.00 -2.01 0.00 0.00 31.29 31.54 1y9x h VAL 19 CO 0.54 0.00 -0.08 0.00 -1.01 0.00 0.00 177.57 177.02 1y9x h MET 20 N 0.00 0.00 0.01 4.17 -0.00 -2.00 -1.07 114.93 116.03 1y9x h MET 20 Ca 0.06 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.56 1y9x h MET 20 Cb 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.82 1y9x h MET 20 CO -0.00 0.08 -0.91 -0.97 -0.00 0.00 0.00 176.91 175.11 1y9x h ASN 21 N 0.00 0.04 0.38 -0.10 -0.00 -1.61 -3.07 115.58 111.22 1y9x h ASN 21 Ca -0.00 -0.04 -0.32 0.00 -0.00 0.00 0.00 56.30 55.94 1y9x h ASN 21 Cb 0.26 -0.01 0.01 0.00 -0.00 0.00 0.00 38.32 38.58 1y9x h ASN 21 CO 0.01 0.93 -1.52 1.88 -0.00 0.00 0.00 177.43 178.72 1y9x h TYR 22 N 0.01 0.65 0.01 0.67 0.05 -1.33 -2.87 116.97 114.16 1y9x h TYR 22 Ca -0.02 -0.47 0.01 0.00 0.05 0.00 0.00 58.73 58.30 1y9x h TYR 22 Cb 1.59 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 39.29 1y9x h TYR 22 CO 0.01 1.48 -0.07 0.28 -1.05 0.00 0.00 178.16 178.80 1y9x h VAL 23 N 0.10 0.82 -0.00 -2.88 2.07 -1.38 -1.38 116.25 113.59 1y9x h VAL 23 Ca -0.25 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 1y9x h VAL 23 Cb 2.07 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1y9x h VAL 23 CO 0.20 0.00 -0.37 -0.07 0.02 0.00 0.00 177.57 177.35 1y9x h LEU 24 N -0.13 0.00 -0.30 2.57 4.07 -1.66 -2.58 115.31 117.28 1y9x h LEU 24 Ca 0.03 -0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 1y9x h LEU 24 Cb 0.16 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 1y9x h LEU 24 CO -0.07 0.37 -0.02 0.00 -1.08 0.00 0.00 178.44 177.64 1y9x h ALA 25 N 1.63 0.40 -0.36 1.53 0.00 -1.21 -1.37 119.26 119.88 1y9x h ALA 25 Ca -0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1y9x h ALA 25 Cb 0.65 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1y9x h ALA 25 CO 0.05 0.18 -0.07 0.00 0.00 0.00 0.00 179.25 179.40 1y9x h ALA 26 N 0.82 1.21 -0.32 0.00 0.00 -1.08 -1.11 119.26 118.78 1y9x h ALA 26 Ca 0.08 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1y9x h ALA 26 Cb 0.48 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1y9x h ALA 26 CO 0.02 0.51 -0.30 -0.07 0.00 0.00 0.00 179.25 179.42 1y9x h LEU 27 N 0.55 0.70 -0.82 0.00 3.38 -1.32 -2.80 115.31 115.00 1y9x h LEU 27 Ca 0.11 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 1y9x h LEU 27 Cb 0.46 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1y9x h LEU 27 CO 0.02 0.96 -0.26 0.74 0.09 0.00 0.00 178.44 179.99 1y9x h THR 28 N 0.58 1.27 -0.49 0.22 2.02 -0.68 -2.97 112.91 112.86 1y9x h THR 28 Ca 0.07 -1.33 -0.05 0.00 0.77 0.00 0.00 66.41 65.87 1y9x h THR 28 Cb 0.80 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 1y9x h THR 28 CO 0.07 0.43 0.09 -0.07 0.37 0.00 0.00 175.52 176.40 1y9x h LEU 29 N 0.51 0.71 -0.25 2.58 3.38 -0.97 -0.76 115.31 120.51 1y9x h LEU 29 Ca 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1y9x h LEU 29 Cb 0.72 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1y9x h LEU 29 CO 0.06 0.72 0.10 0.25 0.09 0.00 0.00 178.44 179.66 1y9x h LEU 30 N 0.73 0.35 0.00 1.67 7.12 -1.36 0.62 115.31 124.43 1y9x h LEU 30 Ca 0.16 -0.16 0.00 0.00 0.13 0.00 0.00 57.88 58.00 1y9x h LEU 30 Cb 0.32 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.36 1y9x h LEU 30 CO 0.00 0.42 0.00 0.59 -0.13 0.00 0.00 178.44 179.32 1y9x n ASN 31 N -4.78 0.00 0.02 1.25 4.13 -1.06 -2.50 115.26 112.32 1y9x n ASN 31 Ca -0.03 -0.33 0.05 0.00 1.68 0.00 0.00 54.58 55.95 1y9x n ASN 31 Cb 0.13 -0.20 -0.10 0.00 -1.54 0.00 0.00 39.78 38.06 1y9x n ASN 31 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1y9x n GLN 32 N -1.20 0.64 0.00 3.52 7.27 -0.32 -4.97 117.38 122.32 1y9x n GLN 32 Ca 0.15 0.02 0.00 0.00 0.07 0.00 0.00 57.00 57.24 1y9x n GLN 32 Cb 0.18 -1.67 0.00 0.00 2.41 0.00 0.00 30.24 31.16 1y9x n GLN 32 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1y9x n GLY 33 N 1.35 0.61 3.42 1.69 0.00 -0.56 -5.07 105.19 106.63 1y9x n GLY 33 Ca -0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.63 5.24 -0.12 1.61 1.01 0.10 -4.92 120.40 122.70 1y9x s VAL 34 Ca 0.00 -0.89 0.16 0.00 0.00 0.00 0.00 61.98 61.25 1y9x s VAL 34 Cb 0.00 -4.04 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 1y9x s VAL 34 CO 0.00 -0.46 1.09 0.77 0.00 0.00 0.00 175.10 176.50 1y9x h SER 35 N 8.70 0.00 -3.55 3.32 4.64 -1.85 -3.18 113.55 121.63 1y9x h SER 35 Ca -0.28 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.37 1y9x h SER 35 Cb 1.11 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.85 1y9x h SER 35 CO 0.81 0.57 -0.80 -1.61 -0.87 0.00 0.00 176.83 174.93 1y9x s GLU 36 N -2.93 2.59 0.07 4.77 2.02 -1.26 -0.35 118.70 123.60 1y9x s GLU 36 Ca 0.00 -1.12 0.09 0.00 0.02 0.00 0.00 54.97 53.96 1y9x s GLU 36 Cb 0.08 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.46 1y9x s GLU 36 CO 0.79 -0.43 -0.23 0.96 0.02 0.00 0.00 175.26 176.36 1y9x s ILE 37 N 1.21 1.91 -0.20 -1.63 -0.00 -1.11 -4.89 121.20 116.48 1y9x s ILE 37 Ca -0.03 -1.40 0.00 0.00 -0.00 0.00 0.00 60.65 59.23 1y9x s ILE 37 Cb -0.17 -1.67 0.02 0.00 -0.00 0.00 0.00 42.46 40.64 1y9x s ILE 37 CO -0.07 0.20 -0.15 -0.69 -0.00 0.00 0.00 174.94 174.22 1y9x s VAL 38 N -0.90 2.33 -0.23 8.37 1.01 0.15 -2.29 120.40 128.84 1y9x s VAL 38 Ca 0.10 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 60.94 1y9x s VAL 38 Cb -0.10 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1y9x s VAL 38 CO 0.03 0.42 0.45 -0.63 0.00 0.00 0.00 175.10 175.37 1y9x s ILE 39 N 1.30 5.14 -0.13 2.22 1.01 -0.11 -1.96 121.20 128.66 1y9x s ILE 39 Ca 0.03 0.76 -0.00 0.00 0.00 0.00 0.00 60.65 61.44 1y9x s ILE 39 Cb -0.14 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 1y9x s ILE 39 CO -0.10 0.17 -0.13 -0.54 0.00 0.00 0.00 174.94 174.34 1y9x s LYS 40 N 1.83 3.36 0.23 2.79 1.02 -0.02 -1.16 119.74 127.80 1y9x s LYS 40 Ca 0.19 -0.70 0.01 0.00 0.02 0.00 0.00 55.97 55.49 1y9x s LYS 40 Cb -0.15 -2.63 -0.05 0.00 -0.52 0.00 0.00 37.83 34.48 1y9x s LYS 40 CO 0.09 0.18 0.10 0.00 -0.92 0.00 0.00 175.35 174.80 1y9x s ALA 41 N 0.42 1.53 -0.05 5.17 0.00 -0.65 -2.10 121.76 126.08 1y9x s ALA 41 Ca -0.10 -1.80 -0.29 0.00 0.00 0.00 0.00 51.96 49.77 1y9x s ALA 41 Cb -0.16 1.11 0.06 0.00 0.00 0.00 0.00 23.12 24.14 1y9x s ALA 41 CO 0.05 -0.49 0.63 -0.98 0.00 0.00 0.00 175.76 174.97 1y9x s ARG 42 N -4.06 1.01 8.00 0.00 1.04 -1.26 -0.82 118.95 122.85 1y9x s ARG 42 Ca 0.37 0.21 0.00 0.00 -1.04 0.00 0.00 55.73 55.27 1y9x s ARG 42 Cb 0.07 0.47 0.00 0.00 -2.04 0.00 0.00 34.95 33.46 1y9x s ARG 42 CO 0.12 -0.31 0.00 0.41 -0.04 0.00 0.00 175.30 175.48 1y9x n GLY 43 N 0.97 3.28 0.22 3.88 0.00 0.23 -1.98 105.19 111.81 1y9x n GLY 43 Ca -0.19 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 12.97 0.98 0.00 1.61 1.85 -1.26 -3.56 116.66 129.24 1y9x n ARG 44 Ca 0.00 -0.45 0.14 0.00 -1.00 0.00 0.00 57.85 56.54 1y9x n ARG 44 Cb 0.00 -1.49 0.54 0.00 -1.05 0.00 0.00 32.46 30.46 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 -0.62 2.82 -0.15 2.89 0.00 -0.84 -3.81 120.51 120.80 1y9x n ALA 45 Ca 0.16 -0.25 0.04 0.00 0.00 0.00 0.00 53.44 53.39 1y9x n ALA 45 Cb 0.30 -1.32 0.34 0.00 0.00 0.00 0.00 19.45 18.76 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 0.34 1.09 -0.51 0.00 2.04 -1.72 -1.58 117.51 117.17 1y9x h ILE 46 Ca 0.00 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 1y9x h ILE 46 Cb 0.42 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1y9x h ILE 46 CO 0.00 0.14 0.20 -1.28 0.00 0.00 0.00 178.15 177.22 1y9x h SER 47 N 0.79 0.66 0.52 1.72 0.87 -1.86 -2.48 113.55 113.78 1y9x h SER 47 Ca 0.26 -0.08 -0.19 0.00 -1.23 0.00 0.00 61.79 60.56 1y9x h SER 47 Cb 0.07 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1y9x h SER 47 CO -0.07 0.60 -0.81 0.11 -0.53 0.00 0.00 176.83 176.12 1y9x h LYS 48 N 0.72 0.21 -0.53 2.24 1.57 -1.54 -2.02 116.57 117.22 1y9x h LYS 48 Ca 0.17 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1y9x h LYS 48 Cb 0.14 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1y9x h LYS 48 CO -0.02 0.91 0.33 0.00 -0.57 0.00 0.00 179.45 180.10 1y9x h ALA 49 N 1.02 0.67 -0.02 3.86 0.00 -1.20 0.14 119.26 123.72 1y9x h ALA 49 Ca -0.04 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.55 1y9x h ALA 49 Cb 1.41 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 19.01 1y9x h ALA 49 CO 0.12 0.15 -1.00 -0.24 0.00 0.00 0.00 179.25 178.28 1y9x h VAL 50 N 0.71 1.28 -0.93 0.00 3.04 -1.55 -2.81 116.25 115.99 1y9x h VAL 50 Ca 0.19 -2.21 0.05 0.00 -1.01 0.00 0.00 66.70 63.73 1y9x h VAL 50 Cb -0.03 2.32 -0.06 0.00 -2.01 0.00 0.00 31.29 31.51 1y9x h VAL 50 CO -0.04 0.69 0.61 -0.78 -1.01 0.00 0.00 177.57 177.03 1y9x h ASP 51 N 0.42 0.97 0.38 3.17 3.58 -1.08 0.51 116.42 124.36 1y9x h ASP 51 Ca -0.12 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.31 1y9x h ASP 51 Cb 1.65 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.50 1y9x h ASP 51 CO 0.20 0.64 -0.18 0.74 -2.88 0.00 0.00 179.24 177.75 1y9x h THR 52 N 1.11 0.57 -0.07 2.25 2.02 -0.74 -2.90 112.91 115.14 1y9x h THR 52 Ca 0.39 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 66.97 1y9x h THR 52 Cb 0.12 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1y9x h THR 52 CO -0.14 0.09 -0.26 -0.37 0.37 0.00 0.00 175.52 175.22 1y9x h VAL 53 N -0.84 1.22 -0.38 3.16 -1.51 -1.22 -1.75 116.25 114.93 1y9x h VAL 53 Ca -0.05 -1.03 -0.04 0.00 -1.23 0.00 0.00 66.70 64.35 1y9x h VAL 53 Cb 0.54 1.45 -0.02 0.00 -2.13 0.00 0.00 31.29 31.13 1y9x h VAL 53 CO 0.08 0.30 0.08 -0.08 -1.23 0.00 0.00 177.57 176.72 1y9x h GLU 54 N 0.12 0.63 -0.09 5.19 4.81 -0.95 -0.86 114.58 123.43 1y9x h GLU 54 Ca 0.02 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1y9x h GLU 54 Cb 0.52 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 1y9x h GLU 54 CO 0.04 0.67 0.05 0.82 -0.73 0.00 0.00 179.01 179.86 1y9x h ILE 55 N 0.48 1.07 -0.73 2.32 2.04 -1.25 -2.18 117.51 119.27 1y9x h ILE 55 Ca 0.12 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1y9x h ILE 55 Cb 0.34 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1y9x h ILE 55 CO 0.00 0.06 0.48 0.58 0.00 0.00 0.00 178.15 179.28 1y9x h VAL 56 N 0.07 1.07 -0.00 1.67 2.07 -1.11 -1.60 116.25 118.41 1y9x h VAL 56 Ca 0.03 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1y9x h VAL 56 Cb 0.06 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1y9x h VAL 56 CO -0.01 0.15 -0.28 -2.11 0.02 0.00 0.00 177.57 175.35 1y9x n ARG 57 N -4.47 0.38 -0.48 1.57 1.85 -0.35 -3.54 116.66 111.63 1y9x n ARG 57 Ca 0.10 -0.18 0.07 0.00 -1.00 0.00 0.00 57.85 56.83 1y9x n ARG 57 Cb 0.17 -1.50 0.13 0.00 -1.05 0.00 0.00 32.46 30.22 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 -1.15 1.67 0.06 2.89 5.03 -0.72 -3.78 115.26 119.25 1y9x n ASN 58 Ca 0.10 -3.12 0.00 0.00 0.87 0.00 0.00 54.58 52.42 1y9x n ASN 58 Cb 0.32 -0.42 0.00 0.00 -1.02 0.00 0.00 39.78 38.66 1y9x n ASN 58 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1y9x n ARG 59 N -0.92 0.00 -0.09 3.52 0.63 -0.69 -4.99 116.66 114.13 1y9x n ARG 59 Ca 0.14 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.90 1y9x n ARG 59 Cb 0.72 -0.03 -0.11 0.00 0.45 0.00 0.00 32.46 33.50 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 0.00 -3.33 -0.14 3.57 -1.78 -3.45 116.94 111.82 1y9x h PHE 60 Ca 0.00 0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.97 1y9x h PHE 60 Cb 0.00 0.00 -0.39 0.00 2.79 0.00 0.00 35.95 38.35 1y9x h PHE 60 CO 0.00 1.16 -0.77 -0.51 -2.23 0.00 0.00 178.31 175.96 1y9x s LEU 61 N -8.03 1.38 -0.19 0.59 1.02 -1.23 -5.02 118.68 107.20 1y9x s LEU 61 Ca -0.24 -0.72 -0.16 0.00 0.02 0.00 0.00 54.13 53.04 1y9x s LEU 61 Cb 0.03 -0.73 -0.07 0.00 0.02 0.00 0.00 46.19 45.44 1y9x s LEU 61 CO 0.56 -0.25 -0.33 0.00 0.02 0.00 0.00 176.35 176.35 1y9x n ALA 62 N 4.97 1.07 0.03 4.21 0.00 -1.25 -4.29 120.51 125.26 1y9x n ALA 62 Ca -0.10 -0.83 -0.11 0.00 0.00 0.00 0.00 53.44 52.40 1y9x n ALA 62 Cb 0.47 0.07 0.02 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.94 0.58 1.27 0.00 5.19 -1.95 -3.23 116.42 117.34 1y9x h ASP 63 Ca -0.15 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 1y9x h ASP 63 Cb 1.08 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.42 1y9x h ASP 63 CO -0.09 1.12 -0.32 0.11 -3.12 0.00 0.00 179.24 176.93 1y9x h LYS 64 N 0.34 0.00 -6.99 3.56 1.57 -1.87 -3.45 116.57 109.73 1y9x h LYS 64 Ca -0.03 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.30 1y9x h LYS 64 Cb 1.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 1y9x h LYS 64 CO 0.13 0.00 0.33 -1.50 -0.57 0.00 0.00 179.45 177.84 1y9x s ILE 65 N -3.16 4.35 0.01 1.86 2.07 -1.22 -4.09 121.20 121.02 1y9x s ILE 65 Ca 0.08 1.57 0.00 0.00 -1.41 0.00 0.00 60.65 60.89 1y9x s ILE 65 Cb 0.12 -3.72 -0.01 0.00 0.13 0.00 0.00 42.46 38.97 1y9x s ILE 65 CO 0.67 -0.18 -0.03 -0.70 -1.91 0.00 0.00 174.94 172.80 1y9x s GLU 66 N -2.83 0.23 0.15 3.50 2.12 -0.26 -4.98 118.70 116.63 1y9x s GLU 66 Ca 0.58 -0.35 -0.13 0.00 0.36 0.00 0.00 54.97 55.44 1y9x s GLU 66 Cb -0.12 -0.04 -0.07 0.00 0.26 0.00 0.00 34.13 34.16 1y9x s GLU 66 CO 0.16 -0.00 0.53 -1.50 -0.54 0.00 0.00 175.26 173.91 1y9x s ILE 67 N -0.74 4.90 -0.18 -3.70 1.10 -1.26 0.22 121.20 121.53 1y9x s ILE 67 Ca -0.07 0.71 -0.11 0.00 -0.51 0.00 0.00 60.65 60.67 1y9x s ILE 67 Cb -0.05 -3.70 -0.08 0.00 0.15 0.00 0.00 42.46 38.78 1y9x s ILE 67 CO -0.00 0.20 -0.26 1.17 -2.11 0.00 0.00 174.94 173.93 1y9x n LYS 68 N 0.66 0.42 -3.57 3.50 4.81 -0.26 -4.77 118.16 118.96 1y9x n LYS 68 Ca -0.05 0.18 -0.09 0.00 -0.87 0.00 0.00 58.31 57.48 1y9x n LYS 68 Cb 0.52 -1.22 -0.04 0.00 0.02 0.00 0.00 35.03 34.31 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 -2.45 0.59 -0.05 1.64 2.56 -0.99 -5.03 118.70 114.97 1y9x s GLU 69 Ca -0.27 0.05 -0.02 0.00 0.00 0.00 0.00 54.97 54.74 1y9x s GLU 69 Cb 0.09 0.28 0.03 0.00 2.00 0.00 0.00 34.13 36.52 1y9x s GLU 69 CO 0.35 -0.20 0.04 0.96 -0.56 0.00 0.00 175.26 175.85 1y9x s ILE 70 N -1.50 0.06 -0.03 -3.70 -4.36 -1.26 -1.20 121.20 109.20 1y9x s ILE 70 Ca 0.00 0.32 0.02 0.00 -0.26 0.00 0.00 60.65 60.74 1y9x s ILE 70 Cb -0.01 -0.28 0.01 0.00 1.25 0.00 0.00 42.46 43.43 1y9x s ILE 70 CO -0.01 0.21 -0.07 -0.13 0.24 0.00 0.00 174.94 175.18 1y9x s ARG 71 N 2.10 0.85 -0.04 0.37 0.52 -0.82 -5.01 118.95 116.93 1y9x s ARG 71 Ca 0.05 -0.22 0.05 0.00 -0.52 0.00 0.00 55.73 55.09 1y9x s ARG 71 Cb -0.12 -0.82 -0.01 0.00 0.52 0.00 0.00 34.95 34.53 1y9x s ARG 71 CO -0.04 0.04 -0.18 0.08 0.02 0.00 0.00 175.30 175.22 1y9x s VAL 72 N 0.43 1.51 -0.23 3.52 1.01 -1.26 -0.90 120.40 124.47 1y9x s VAL 72 Ca -0.06 -0.78 -0.37 0.00 0.00 0.00 0.00 61.98 60.77 1y9x s VAL 72 Cb -0.10 -1.28 0.15 0.00 0.00 0.00 0.00 36.38 35.15 1y9x s VAL 72 CO 0.00 0.43 1.39 -0.83 0.00 0.00 0.00 175.10 176.10 1y9x s GLY 73 N -0.13 -0.29 -0.12 4.51 0.00 0.09 -5.00 107.32 106.38 1y9x s GLY 73 Ca -0.00 1.63 -0.28 0.00 0.00 0.00 0.00 44.72 46.08 1y9x s GLY 73 CO 0.01 0.50 0.92 -1.35 0.00 0.00 0.00 173.10 173.18 1y9x s SER 74 N -2.30 7.13 0.01 1.64 1.04 -1.26 0.18 113.70 120.14 1y9x s SER 74 Ca 0.13 1.39 0.00 0.00 0.48 0.00 0.00 55.95 57.94 1y9x s SER 74 Cb 0.01 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.59 1y9x s SER 74 CO -0.04 -0.39 0.08 -1.58 0.98 0.00 0.00 173.24 172.30 1y9x s GLN 75 N 1.88 3.03 -0.49 4.02 2.00 0.45 -4.85 119.66 125.69 1y9x s GLN 75 Ca 0.44 -0.53 -0.19 0.00 -2.00 0.00 0.00 55.36 53.09 1y9x s GLN 75 Cb -0.18 -2.83 0.05 0.00 0.80 0.00 0.00 33.01 30.86 1y9x s GLN 75 CO 0.17 0.63 0.60 0.08 -0.50 0.00 0.00 175.29 176.27 1y9x s VAL 76 N -1.23 4.91 0.29 1.34 1.01 -1.26 -1.00 120.40 124.46 1y9x s VAL 76 Ca 0.24 -0.48 0.10 0.00 0.00 0.00 0.00 61.98 61.84 1y9x s VAL 76 Cb -0.12 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 1y9x s VAL 76 CO 0.15 -0.76 -0.06 0.68 0.00 0.00 0.00 175.10 175.12 1y9x s VAL 77 N 2.55 2.88 -0.08 2.92 -7.23 0.26 -4.91 120.40 116.79 1y9x s VAL 77 Ca 0.15 -2.09 -0.10 0.00 -1.81 0.00 0.00 61.98 58.12 1y9x s VAL 77 Cb -0.19 -2.66 -0.05 0.00 0.56 0.00 0.00 36.38 34.05 1y9x s VAL 77 CO 0.12 -0.33 0.25 0.42 -0.31 0.00 0.00 175.10 175.26 1y9x s THR 78 N -2.45 5.31 1.03 5.32 -4.23 -1.26 0.08 115.64 119.45 1y9x s THR 78 Ca 0.32 0.48 -0.17 0.00 -1.18 0.00 0.00 61.69 61.14 1y9x s THR 78 Cb -0.04 -3.54 0.23 0.00 1.34 0.00 0.00 72.50 70.49 1y9x s THR 78 CO 0.18 0.59 1.28 -0.44 -0.54 0.00 0.00 174.62 175.69 1y9x s SER 79 N -0.93 2.49 0.41 3.99 0.01 0.98 -4.83 113.70 115.82 1y9x s SER 79 Ca 0.18 0.32 0.12 0.00 1.31 0.00 0.00 55.95 57.89 1y9x s SER 79 Cb -0.14 -0.39 0.96 0.00 0.21 0.00 0.00 66.02 66.67 1y9x s SER 79 CO 0.08 -3.13 1.96 1.56 0.41 0.00 0.00 173.24 174.11 1y9x h GLN 80 N -1.91 0.48 0.13 12.44 4.20 -1.99 -1.91 115.11 126.55 1y9x h GLN 80 Ca -0.44 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.05 1y9x h GLN 80 Cb 1.24 -0.11 0.02 0.00 0.30 0.00 0.00 27.48 28.94 1y9x h GLN 80 CO 0.35 0.32 -0.80 -0.44 -0.67 0.00 0.00 178.83 177.59 1y9x h ASP 81 N 0.50 0.49 0.00 1.46 5.19 -2.04 -3.47 116.42 118.54 1y9x h ASP 81 Ca 0.32 -0.93 0.00 0.00 -0.62 0.00 0.00 57.03 55.80 1y9x h ASP 81 Cb 0.56 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.91 1y9x h ASP 81 CO -0.10 1.38 0.00 0.61 -3.12 0.00 0.00 179.24 178.01 1y9x n GLY 82 N 1.59 0.63 3.47 2.75 0.00 -0.72 -5.14 105.19 107.77 1y9x n GLY 82 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 3.00 -0.41 1.61 0.52 -1.26 -4.81 118.95 117.60 1y9x s ARG 83 Ca 0.00 -0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 54.29 1y9x s ARG 83 Cb 0.00 -2.58 0.01 0.00 0.52 0.00 0.00 34.95 32.90 1y9x s ARG 83 CO 0.00 0.46 1.42 -0.65 0.02 0.00 0.00 175.30 176.54 1y9x s GLN 84 N -0.27 3.57 -0.12 3.54 1.11 -1.26 -0.01 119.66 126.21 1y9x s GLN 84 Ca 0.03 0.93 0.02 0.00 0.01 0.00 0.00 55.36 56.35 1y9x s GLN 84 Cb -0.13 -4.03 -0.01 0.00 -1.01 0.00 0.00 33.01 27.84 1y9x s GLN 84 CO 0.03 -1.58 -0.18 0.45 0.01 0.00 0.00 175.29 174.02 1y9x s SER 85 N 3.97 3.54 -0.06 5.90 0.15 0.11 -4.94 113.70 122.36 1y9x s SER 85 Ca 0.61 -0.45 -0.20 0.00 0.70 0.00 0.00 55.95 56.61 1y9x s SER 85 Cb -0.14 -1.51 -0.05 0.00 -1.71 0.00 0.00 66.02 62.62 1y9x s SER 85 CO 0.33 0.15 0.56 -0.13 1.20 0.00 0.00 173.24 175.35 1y9x s ARG 86 N 0.42 4.33 -0.02 5.44 0.52 -1.26 -0.58 118.95 127.80 1y9x s ARG 86 Ca -0.14 0.63 0.01 0.00 -0.52 0.00 0.00 55.73 55.72 1y9x s ARG 86 Cb -0.17 -3.40 0.01 0.00 0.52 0.00 0.00 34.95 31.91 1y9x s ARG 86 CO 0.06 0.23 -0.04 0.08 0.02 0.00 0.00 175.30 175.65 1y9x s VAL 87 N 0.32 0.43 -0.35 3.52 1.01 -0.17 -4.93 120.40 120.23 1y9x s VAL 87 Ca 0.30 -0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.85 1y9x s VAL 87 Cb -0.17 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 1y9x s VAL 87 CO 0.14 0.16 1.92 -0.94 0.00 0.00 0.00 175.10 176.39 1y9x s SER 88 N 0.40 5.65 0.08 3.32 1.04 -1.26 -0.41 113.70 122.52 1y9x s SER 88 Ca -0.05 1.30 0.03 0.00 0.48 0.00 0.00 55.95 57.72 1y9x s SER 88 Cb -0.08 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 1y9x s SER 88 CO -0.00 -1.90 0.07 0.42 0.98 0.00 0.00 173.24 172.81 1y9x s THR 89 N 7.73 4.48 -0.03 2.02 -4.23 0.13 -0.60 115.64 125.14 1y9x s THR 89 Ca 0.84 -0.80 0.01 0.00 -1.18 0.00 0.00 61.69 60.55 1y9x s THR 89 Cb -0.23 -3.16 0.02 0.00 1.34 0.00 0.00 72.50 70.47 1y9x s THR 89 CO 0.32 0.12 -0.01 -0.51 -0.54 0.00 0.00 174.62 174.00 1y9x s ILE 90 N -1.39 0.21 -0.24 2.99 2.07 -0.00 -0.73 121.20 124.10 1y9x s ILE 90 Ca 0.29 0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.55 1y9x s ILE 90 Cb -0.12 -0.28 0.02 0.00 0.13 0.00 0.00 42.46 42.21 1y9x s ILE 90 CO 0.22 0.14 -0.07 -1.61 -1.91 0.00 0.00 174.94 171.71 1y9x s GLU 91 N 0.85 2.90 -0.29 3.50 2.02 -0.08 -1.64 118.70 125.96 1y9x s GLU 91 Ca -0.09 -0.93 -0.05 0.00 0.02 0.00 0.00 54.97 53.92 1y9x s GLU 91 Cb -0.12 -2.97 0.02 0.00 0.10 0.00 0.00 34.13 31.16 1y9x s GLU 91 CO -0.01 -0.37 0.04 0.42 0.02 0.00 0.00 175.26 175.36 1y9x s ILE 92 N 1.34 3.59 -0.21 -1.63 1.01 -0.31 -1.93 121.20 123.06 1y9x s ILE 92 Ca 0.01 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 1y9x s ILE 92 Cb -0.16 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.41 1y9x s ILE 92 CO -0.05 0.07 -0.03 0.00 0.00 0.00 0.00 174.94 174.93 1y9x s ALA 93 N 1.42 2.90 0.23 9.38 0.00 -0.34 -0.94 121.76 134.42 1y9x s ALA 93 Ca 0.01 -1.08 0.11 0.00 0.00 0.00 0.00 51.96 51.00 1y9x s ALA 93 Cb -0.17 -1.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.18 1y9x s ALA 93 CO 0.00 -0.29 -0.21 0.96 0.00 0.00 0.00 175.76 176.22 1y9x s ILE 94 N 1.24 2.31 -0.19 0.00 -4.36 -0.97 -1.10 121.20 118.13 1y9x s ILE 94 Ca 0.03 -2.19 0.01 0.00 -0.26 0.00 0.00 60.65 58.24 1y9x s ILE 94 Cb -0.14 -2.16 0.02 0.00 1.25 0.00 0.00 42.46 41.43 1y9x s ILE 94 CO -0.00 -0.29 -0.18 -0.60 0.24 0.00 0.00 174.94 174.11 1y9x s ARG 95 N -3.09 2.90 -0.17 0.37 3.52 0.13 -2.77 118.95 119.84 1y9x s ARG 95 Ca 0.24 -0.90 -0.11 0.00 -0.13 0.00 0.00 55.73 54.84 1y9x s ARG 95 Cb -0.06 -2.64 -0.05 0.00 -1.56 0.00 0.00 34.95 30.64 1y9x s ARG 95 CO 0.11 -0.26 0.19 0.15 -0.81 0.00 0.00 175.30 174.68 1y9x s LYS 96 N 1.27 4.12 0.00 5.12 -0.14 0.52 -1.10 119.74 129.53 1y9x s LYS 96 Ca 0.03 -0.09 0.00 0.00 -1.36 0.00 0.00 55.97 54.55 1y9x s LYS 96 Cb -0.14 -3.39 0.00 0.00 -1.68 0.00 0.00 37.83 32.62 1y9x s LYS 96 CO -0.11 0.35 0.00 0.36 -0.76 0.00 0.00 175.35 175.18