#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9x n SER 2 N 0.00 0.52 -0.33 7.83 7.64 -1.26 -4.82 113.62 123.21 1y9x n SER 2 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.95 1y9x n SER 2 Cb 0.00 0.00 0.31 0.00 -1.01 0.00 0.00 64.21 63.51 1y9x n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1y9x n SER 3 N -2.52 0.96 -4.22 6.43 7.64 -1.26 -4.50 113.62 116.16 1y9x n SER 3 Ca 0.00 -1.75 -0.41 0.00 1.01 0.00 0.00 58.87 57.72 1y9x n SER 3 Cb 0.23 -0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.32 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 0.91 4.25 3.47 0.23 0.00 -1.26 -5.00 105.19 107.79 1y9x n GLY 4 Ca 0.12 -2.60 -0.43 0.00 0.00 0.00 0.00 46.02 43.10 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 -1.44 4.85 0.20 2.61 -4.23 -1.26 -4.93 115.64 111.43 1y9x s THR 5 Ca 0.30 -0.26 -0.03 0.00 -1.18 0.00 0.00 61.69 60.52 1y9x s THR 5 Cb -0.08 -4.26 -0.02 0.00 1.34 0.00 0.00 72.50 69.48 1y9x s THR 5 CO -0.09 -0.73 1.55 -0.65 -0.54 0.00 0.00 174.62 174.17 1y9x h PRO 6 N 8.96 0.61 -3.86 3.99 0.11 -1.99 -3.49 132.00 136.32 1y9x h PRO 6 Ca -0.27 -0.33 0.00 0.00 0.11 0.00 0.00 66.00 65.51 1y9x h PRO 6 Cb 1.10 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1y9x h PRO 6 CO 0.94 0.93 -0.41 2.41 -0.21 0.00 0.00 178.00 181.66 1y9x n THR 7 N -4.01 -6.11 -0.53 -1.15 -1.04 -1.26 -4.97 114.28 95.21 1y9x n THR 7 Ca -0.02 0.76 0.08 0.00 -2.04 0.00 0.00 64.05 62.84 1y9x n THR 7 Cb 0.54 -5.18 0.35 0.00 -1.82 0.00 0.00 70.33 64.22 1y9x n THR 7 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1y9x n PRO 8 N 0.30 3.77 -4.02 -2.82 -0.04 -1.26 -4.93 135.00 126.00 1y9x n PRO 8 Ca -0.00 -2.75 -0.36 0.00 -0.04 0.00 0.00 63.50 60.34 1y9x n PRO 8 Cb 0.01 -1.93 -0.07 0.00 -0.04 0.00 0.00 33.50 31.47 1y9x n PRO 8 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1y9x s SER 9 N -0.84 6.06 0.00 3.54 0.15 -1.26 -4.97 113.70 116.38 1y9x s SER 9 Ca 0.49 0.37 0.28 0.00 0.70 0.00 0.00 55.95 57.78 1y9x s SER 9 Cb 0.33 -1.89 1.16 0.00 -1.71 0.00 0.00 66.02 63.90 1y9x s SER 9 CO 0.22 0.39 1.80 -0.46 1.20 0.00 0.00 173.24 176.39 1y9x n ASN 10 N 1.94 1.23 -4.40 5.45 0.23 -1.26 -4.69 115.26 113.76 1y9x n ASN 10 Ca -0.19 -1.44 -0.39 0.00 -0.53 0.00 0.00 54.58 52.04 1y9x n ASN 10 Cb 0.54 -0.01 -0.12 0.00 -2.08 0.00 0.00 39.78 38.11 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 -1.97 4.43 0.05 3.53 1.01 -1.25 -0.64 120.40 125.55 1y9x s VAL 11 Ca 0.39 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1y9x s VAL 11 Cb 0.21 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1y9x s VAL 11 CO 0.33 -0.00 -0.05 0.68 0.00 0.00 0.00 175.10 176.06 1y9x s VAL 12 N 1.57 3.75 -0.24 2.92 -7.23 -0.64 -5.00 120.40 115.53 1y9x s VAL 12 Ca 0.03 -0.94 -0.08 0.00 -1.81 0.00 0.00 61.98 59.18 1y9x s VAL 12 Cb -0.18 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 1y9x s VAL 12 CO 0.05 0.24 0.09 -0.22 -0.31 0.00 0.00 175.10 174.96 1y9x s LEU 13 N -1.90 3.67 -0.55 1.32 2.96 -1.26 -1.14 118.68 121.77 1y9x s LEU 13 Ca 0.21 -0.08 -0.23 0.00 -0.22 0.00 0.00 54.13 53.81 1y9x s LEU 13 Cb -0.11 -1.98 0.05 0.00 0.50 0.00 0.00 46.19 44.65 1y9x s LEU 13 CO 0.13 0.02 0.87 -0.63 -1.32 0.00 0.00 176.35 175.42 1y9x s ILE 14 N 1.31 4.49 0.00 6.68 -1.09 -0.05 -4.70 121.20 127.84 1y9x s ILE 14 Ca 0.05 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 1y9x s ILE 14 Cb -0.15 -4.50 0.00 0.00 -1.58 0.00 0.00 42.46 36.23 1y9x s ILE 14 CO 0.04 -1.08 0.00 0.61 -1.23 0.00 0.00 174.94 173.28 1y9x n GLY 15 N 5.15 -1.60 1.83 6.18 0.00 -1.26 -4.11 105.19 111.38 1y9x n GLY 15 Ca -0.01 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -3.45 1.61 3.00 -1.26 -5.16 118.16 112.90 1y9x n LYS 16 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.12 1y9x n LYS 16 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.02 1y9x n LYS 16 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1y9x s LYS 17 N -2.00 3.01 0.82 1.64 -0.14 -1.26 -5.11 119.74 116.70 1y9x s LYS 17 Ca 0.00 -1.10 -0.11 0.00 -1.36 0.00 0.00 55.97 53.40 1y9x s LYS 17 Cb 0.00 -2.75 0.08 0.00 -1.68 0.00 0.00 37.83 33.48 1y9x s LYS 17 CO 0.00 0.01 1.09 -2.14 -0.76 0.00 0.00 175.35 173.55 1y9x s PRO 18 N -4.17 1.88 0.28 -1.68 0.02 -1.26 -4.94 135.00 125.13 1y9x s PRO 18 Ca 0.46 0.90 0.01 0.00 0.02 0.00 0.00 61.00 62.39 1y9x s PRO 18 Cb -0.09 -1.87 0.60 0.00 0.02 0.00 0.00 34.50 33.15 1y9x s PRO 18 CO 0.31 -1.83 1.78 -0.24 -0.33 0.00 0.00 177.00 176.68 1y9x h VAL 19 N -1.25 0.75 0.00 3.83 3.04 -1.99 -1.31 116.25 119.32 1y9x h VAL 19 Ca -0.47 -0.25 -0.01 0.00 -1.01 0.00 0.00 66.70 64.96 1y9x h VAL 19 Cb 1.26 -0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 30.50 1y9x h VAL 19 CO 0.55 0.13 -0.07 0.00 -1.01 0.00 0.00 177.57 177.17 1y9x h MET 20 N 0.72 0.00 -0.13 4.17 -0.00 -1.99 -1.72 114.93 115.98 1y9x h MET 20 Ca 0.50 0.00 -0.21 0.00 -0.00 0.00 0.00 59.70 60.00 1y9x h MET 20 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.31 1y9x h MET 20 CO -0.35 0.07 -0.75 -0.97 -0.00 0.00 0.00 176.91 174.91 1y9x h ASN 21 N 0.00 0.78 0.34 -0.10 -1.24 -1.60 -2.70 115.58 111.07 1y9x h ASN 21 Ca -0.00 -0.51 -0.15 0.00 0.71 0.00 0.00 56.30 56.35 1y9x h ASN 21 Cb 0.20 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 1y9x h ASN 21 CO 0.01 1.29 -0.63 1.88 -1.29 0.00 0.00 177.43 178.68 1y9x h TYR 22 N 0.46 0.36 -0.25 0.67 0.05 -1.36 -1.92 116.97 114.97 1y9x h TYR 22 Ca -0.04 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.60 1y9x h TYR 22 Cb 1.36 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 39.02 1y9x h TYR 22 CO 0.07 0.83 0.16 0.28 -1.05 0.00 0.00 178.16 178.45 1y9x h VAL 23 N 0.20 1.07 -0.09 -2.88 2.07 -1.36 0.07 116.25 115.33 1y9x h VAL 23 Ca -0.01 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 1y9x h VAL 23 Cb 1.15 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1y9x h VAL 23 CO 0.10 0.06 -0.34 -0.07 0.02 0.00 0.00 177.57 177.34 1y9x h LEU 24 N 0.33 0.18 -0.21 2.57 3.38 -1.34 -0.24 115.31 119.98 1y9x h LEU 24 Ca 0.09 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1y9x h LEU 24 Cb -0.03 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1y9x h LEU 24 CO -0.02 0.52 -0.48 0.00 0.09 0.00 0.00 178.44 178.55 1y9x h ALA 25 N 1.49 0.35 -0.14 1.53 0.00 -0.89 -2.24 119.26 119.36 1y9x h ALA 25 Ca 0.02 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 1y9x h ALA 25 Cb 0.69 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1y9x h ALA 25 CO 0.05 0.51 -0.51 0.00 0.00 0.00 0.00 179.25 179.30 1y9x h ALA 26 N 0.61 0.86 -0.03 0.00 0.00 -0.81 -2.87 119.26 117.02 1y9x h ALA 26 Ca 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.45 1y9x h ALA 26 Cb 1.09 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1y9x h ALA 26 CO 0.11 0.67 -0.12 1.25 0.00 0.00 0.00 179.25 181.16 1y9x h LEU 27 N 0.31 -0.35 -0.83 0.00 5.85 -0.94 -2.38 115.31 116.98 1y9x h LEU 27 Ca 0.01 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 1y9x h LEU 27 Cb 1.00 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1y9x h LEU 27 CO 0.09 -0.17 -0.27 0.00 -0.34 0.00 0.00 178.44 177.76 1y9x h THR 28 N -0.19 1.27 -0.36 1.05 1.03 -1.38 -2.95 112.91 111.38 1y9x h THR 28 Ca 0.05 -1.33 -0.03 0.00 -0.01 0.00 0.00 66.41 65.09 1y9x h THR 28 Cb 0.26 1.34 -0.02 0.00 -1.07 0.00 0.00 68.15 68.66 1y9x h THR 28 CO -0.14 0.43 0.11 -0.07 -0.01 0.00 0.00 175.52 175.84 1y9x h LEU 29 N 0.50 0.47 -2.00 0.00 3.38 -1.23 -1.41 115.31 115.01 1y9x h LEU 29 Ca 0.07 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1y9x h LEU 29 Cb 0.72 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1y9x h LEU 29 CO 0.06 0.45 -0.09 -0.07 0.09 0.00 0.00 178.44 178.88 1y9x h LEU 30 N 0.51 0.00 0.00 1.67 3.38 -1.26 -1.94 115.31 117.68 1y9x h LEU 30 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1y9x h LEU 30 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1y9x h LEU 30 CO -0.01 0.09 -1.38 0.59 0.09 0.00 0.00 178.44 177.82 1y9x n ASN 31 N -3.54 0.62 0.22 -0.43 4.13 -0.62 -4.30 115.26 111.34 1y9x n ASN 31 Ca -0.02 -0.60 0.12 0.00 1.68 0.00 0.00 54.58 55.77 1y9x n ASN 31 Cb 0.22 1.39 0.19 0.00 -1.54 0.00 0.00 39.78 40.05 1y9x n ASN 31 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 1y9x h GLN 32 N 0.00 0.00 0.00 3.52 4.20 -0.63 -3.46 115.11 118.74 1y9x h GLN 32 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1y9x h GLN 32 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1y9x h GLN 32 CO 0.00 0.02 0.00 0.41 -0.67 0.00 0.00 178.83 178.59 1y9x n GLY 33 N 1.04 0.66 3.48 3.46 0.00 -1.14 -5.06 105.19 107.64 1y9x n GLY 33 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.25 4.30 0.36 1.61 1.01 -0.79 -4.84 120.40 120.78 1y9x s VAL 34 Ca 0.00 -0.64 0.12 0.00 0.00 0.00 0.00 61.98 61.46 1y9x s VAL 34 Cb 0.00 -4.79 0.08 0.00 0.00 0.00 0.00 36.38 31.67 1y9x s VAL 34 CO 0.00 -1.59 1.80 0.28 0.00 0.00 0.00 175.10 175.59 1y9x h SER 35 N 9.47 0.04 -3.44 3.32 0.02 -1.87 -3.35 113.55 117.74 1y9x h SER 35 Ca -0.10 -0.02 -0.33 0.00 -0.84 0.00 0.00 61.79 60.50 1y9x h SER 35 Cb 1.05 -0.01 -0.36 0.00 0.14 0.00 0.00 62.40 63.22 1y9x h SER 35 CO 1.21 0.42 -0.74 -1.83 -1.14 0.00 0.00 176.83 174.75 1y9x s GLU 36 N -4.18 0.00 0.27 3.45 -1.05 -1.26 0.41 118.70 116.35 1y9x s GLU 36 Ca -0.03 0.24 0.10 0.00 -0.15 0.00 0.00 54.97 55.13 1y9x s GLU 36 Cb 0.14 -0.38 -0.05 0.00 -0.44 0.00 0.00 34.13 33.40 1y9x s GLU 36 CO 0.73 -0.22 -0.16 0.96 0.95 0.00 0.00 175.26 177.52 1y9x s ILE 37 N 1.46 2.23 -0.14 1.83 -0.00 -1.03 -4.99 121.20 120.57 1y9x s ILE 37 Ca -0.04 -2.32 0.01 0.00 -0.00 0.00 0.00 60.65 58.30 1y9x s ILE 37 Cb -0.13 -2.31 0.02 0.00 -0.00 0.00 0.00 42.46 40.04 1y9x s ILE 37 CO -0.03 -0.40 -0.15 -0.69 -0.00 0.00 0.00 174.94 173.67 1y9x s VAL 38 N -2.66 1.60 -0.21 8.37 1.01 0.18 -2.66 120.40 126.04 1y9x s VAL 38 Ca 0.29 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 1y9x s VAL 38 Cb -0.02 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1y9x s VAL 38 CO 0.13 0.46 0.07 -0.63 0.00 0.00 0.00 175.10 175.13 1y9x s ILE 39 N 1.31 4.56 -0.18 2.22 1.01 0.10 -1.61 121.20 128.61 1y9x s ILE 39 Ca 0.01 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.57 1y9x s ILE 39 Cb -0.13 -3.09 0.02 0.00 0.01 0.00 0.00 42.46 39.26 1y9x s ILE 39 CO -0.08 0.40 -0.20 -0.54 0.00 0.00 0.00 174.94 174.52 1y9x s LYS 40 N 0.97 3.00 0.20 2.79 1.02 -0.30 -0.95 119.74 126.47 1y9x s LYS 40 Ca 0.04 -0.83 0.10 0.00 0.02 0.00 0.00 55.97 55.30 1y9x s LYS 40 Cb -0.14 -2.58 -0.04 0.00 -0.52 0.00 0.00 37.83 34.55 1y9x s LYS 40 CO 0.03 -0.21 -0.13 0.00 -0.92 0.00 0.00 175.35 174.12 1y9x s ALA 41 N 1.29 2.84 0.00 5.17 0.00 -0.88 -0.87 121.76 129.31 1y9x s ALA 41 Ca 0.05 -1.58 0.04 0.00 0.00 0.00 0.00 51.96 50.47 1y9x s ALA 41 Cb -0.13 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 1y9x s ALA 41 CO -0.13 0.42 -0.11 0.50 0.00 0.00 0.00 175.76 176.44 1y9x s ARG 42 N -2.95 0.87 7.00 0.00 3.52 -1.26 -1.17 118.95 124.97 1y9x s ARG 42 Ca 0.25 -0.47 0.00 0.00 -0.13 0.00 0.00 55.73 55.38 1y9x s ARG 42 Cb -0.08 -0.84 0.00 0.00 -1.56 0.00 0.00 34.95 32.48 1y9x s ARG 42 CO 0.14 0.22 0.00 0.41 -0.81 0.00 0.00 175.30 175.27 1y9x n GLY 43 N 2.59 1.71 0.02 8.12 0.00 0.77 -2.47 105.19 115.93 1y9x n GLY 43 Ca -0.15 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 12.55 0.05 0.00 1.61 5.12 -1.26 -3.51 116.66 131.23 1y9x n ARG 44 Ca 0.00 0.04 0.09 0.00 -1.93 0.00 0.00 57.85 56.04 1y9x n ARG 44 Cb 0.00 -1.56 0.45 0.00 -1.16 0.00 0.00 32.46 30.19 1y9x n ARG 44 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1y9x n ALA 45 N -1.56 1.97 -0.30 7.54 0.00 -1.03 -2.84 120.51 124.29 1y9x n ALA 45 Ca 0.06 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.49 1y9x n ALA 45 Cb 0.36 -1.29 0.29 0.00 0.00 0.00 0.00 19.45 18.81 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 0.00 0.95 0.00 0.00 2.04 -1.76 0.12 117.51 118.86 1y9x h ILE 46 Ca 0.00 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1y9x h ILE 46 Cb 0.16 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1y9x h ILE 46 CO 0.00 0.16 0.00 -1.54 0.00 0.00 0.00 178.15 176.77 1y9x n SER 47 N -4.55 0.56 -0.02 1.72 3.41 -1.13 -2.27 113.62 111.34 1y9x n SER 47 Ca 0.16 0.62 -0.02 0.00 -0.26 0.00 0.00 58.87 59.37 1y9x n SER 47 Cb 0.33 -0.75 -0.13 0.00 -0.26 0.00 0.00 64.21 63.41 1y9x n SER 47 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1y9x n LYS 48 N -2.10 0.65 -0.06 4.33 4.81 0.32 -3.45 118.16 122.67 1y9x n LYS 48 Ca 0.03 0.08 -0.13 0.00 -0.87 0.00 0.00 58.31 57.42 1y9x n LYS 48 Cb 0.25 -1.66 -0.07 0.00 0.02 0.00 0.00 35.03 33.57 1y9x n LYS 48 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1y9x h ALA 49 N 1.35 0.22 -0.37 3.14 0.00 -0.88 -0.79 119.26 121.94 1y9x h ALA 49 Ca -0.27 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 1y9x h ALA 49 Cb 1.74 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 1y9x h ALA 49 CO 0.04 0.11 -0.16 -0.24 0.00 0.00 0.00 179.25 179.00 1y9x h VAL 50 N 0.01 1.26 0.22 0.00 3.04 -1.72 -2.29 116.25 116.77 1y9x h VAL 50 Ca 0.02 -1.19 -0.01 0.00 -1.01 0.00 0.00 66.70 64.52 1y9x h VAL 50 Cb 0.69 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 1y9x h VAL 50 CO 0.04 0.40 -0.11 -0.78 -1.01 0.00 0.00 177.57 176.10 1y9x h ASP 51 N 0.60 -0.26 -0.15 3.17 3.58 -1.56 0.30 116.42 122.11 1y9x h ASP 51 Ca 0.10 0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.60 1y9x h ASP 51 Cb 0.61 0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.68 1y9x h ASP 51 CO 0.04 -0.18 -0.16 0.74 -2.88 0.00 0.00 179.24 176.80 1y9x h THR 52 N -0.30 0.57 -0.16 2.25 2.02 -0.99 -1.92 112.91 114.38 1y9x h THR 52 Ca -0.03 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.03 1y9x h THR 52 Cb 0.23 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1y9x h THR 52 CO 0.05 0.00 -0.42 -0.37 0.37 0.00 0.00 175.52 175.15 1y9x h VAL 53 N -0.20 1.31 0.00 3.16 -1.51 -1.24 -2.74 116.25 115.04 1y9x h VAL 53 Ca 0.10 -1.56 -0.08 0.00 -1.23 0.00 0.00 66.70 63.93 1y9x h VAL 53 Cb 0.34 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 31.14 1y9x h VAL 53 CO -0.26 0.48 -0.37 -0.08 -1.23 0.00 0.00 177.57 176.10 1y9x h GLU 54 N 0.30 0.00 -0.12 5.19 4.81 -0.58 -1.66 114.58 122.51 1y9x h GLU 54 Ca 0.03 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1y9x h GLU 54 Cb 0.86 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 1y9x h GLU 54 CO 0.07 0.37 -0.14 0.82 -0.73 0.00 0.00 179.01 179.40 1y9x h ILE 55 N 0.00 1.36 -0.14 2.32 2.04 -1.13 -3.28 117.51 118.68 1y9x h ILE 55 Ca -0.00 -1.32 0.01 0.00 1.00 0.00 0.00 64.86 64.54 1y9x h ILE 55 Cb 0.89 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 1y9x h ILE 55 CO 0.05 0.38 0.06 0.58 0.00 0.00 0.00 178.15 179.22 1y9x h VAL 56 N -0.08 0.99 0.00 1.67 2.07 -1.19 0.16 116.25 119.87 1y9x h VAL 56 Ca 0.02 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1y9x h VAL 56 Cb 0.68 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1y9x h VAL 56 CO 0.03 0.02 0.00 -2.11 0.02 0.00 0.00 177.57 175.54 1y9x n ARG 57 N -5.04 0.91 0.02 1.57 1.85 -0.65 -3.34 116.66 111.99 1y9x n ARG 57 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 1y9x n ARG 57 Cb 0.05 -1.04 0.00 0.00 -1.05 0.00 0.00 32.46 30.42 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 1.32 -0.31 0.04 2.89 5.15 -0.90 -4.40 115.26 119.06 1y9x n ASN 58 Ca 0.00 0.08 0.12 0.00 -0.60 0.00 0.00 54.58 54.18 1y9x n ASN 58 Cb 0.46 0.59 0.49 0.00 -0.53 0.00 0.00 39.78 40.79 1y9x n ASN 58 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1y9x n ARG 59 N -2.60 0.08 0.15 1.20 1.85 0.52 -4.54 116.66 113.31 1y9x n ARG 59 Ca 0.00 0.15 0.00 0.00 -1.00 0.00 0.00 57.85 57.00 1y9x n ARG 59 Cb 0.00 -1.60 0.00 0.00 -1.05 0.00 0.00 32.46 29.81 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 -1.74 -2.79 -3.67 2.89 7.35 -1.22 -5.02 117.46 113.26 1y9x n PHE 60 Ca 0.05 0.61 -0.38 0.00 -0.76 0.00 0.00 57.45 56.97 1y9x n PHE 60 Cb 0.31 1.09 -0.08 0.00 0.35 0.00 0.00 39.48 41.15 1y9x n PHE 60 CO 0.00 0.00 0.00 -0.48 -0.76 0.00 0.00 176.76 175.52 1y9x s LEU 61 N -6.85 5.44 -0.31 -2.13 0.05 -1.21 -4.82 118.68 108.84 1y9x s LEU 61 Ca 0.00 -2.97 0.10 0.00 0.05 0.00 0.00 54.13 51.32 1y9x s LEU 61 Cb 0.00 -1.90 0.75 0.00 -2.05 0.00 0.00 46.19 42.99 1y9x s LEU 61 CO 0.00 -0.36 1.79 0.00 -0.55 0.00 0.00 176.35 177.23 1y9x n ALA 62 N 3.37 4.47 0.01 1.48 0.00 -1.26 -3.89 120.51 124.69 1y9x n ALA 62 Ca 0.10 -2.33 0.00 0.00 0.00 0.00 0.00 53.44 51.22 1y9x n ALA 62 Cb 0.39 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1y9x n ALA 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1y9x n ASP 63 N -0.11 -0.05 -4.17 0.00 -0.08 -1.26 -4.99 116.55 105.90 1y9x n ASP 63 Ca 0.39 0.03 -0.43 0.00 -1.51 0.00 0.00 54.79 53.27 1y9x n ASP 63 Cb 1.35 0.13 0.00 0.00 2.34 0.00 0.00 41.12 44.94 1y9x n ASP 63 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1y9x n LYS 64 N -2.56 3.35 -3.63 -0.67 2.85 -1.26 -4.86 118.16 111.37 1y9x n LYS 64 Ca 0.00 -3.46 -0.11 0.00 -1.05 0.00 0.00 58.31 53.69 1y9x n LYS 64 Cb 0.00 -3.12 -0.07 0.00 -0.65 0.00 0.00 35.03 31.19 1y9x n LYS 64 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 1y9x s ILE 65 N 1.85 0.00 0.27 0.58 1.10 -1.26 -4.55 121.20 119.19 1y9x s ILE 65 Ca 0.44 0.00 0.03 0.00 -0.51 0.00 0.00 60.65 60.62 1y9x s ILE 65 Cb 0.05 -1.00 -0.06 0.00 0.15 0.00 0.00 42.46 41.61 1y9x s ILE 65 CO 0.00 0.00 0.03 -1.83 -2.11 0.00 0.00 174.94 171.03 1y9x s GLU 66 N 0.70 1.46 -0.10 3.50 -1.05 -0.02 -5.02 118.70 118.17 1y9x s GLU 66 Ca -0.02 -1.77 -0.03 0.00 -0.15 0.00 0.00 54.97 52.99 1y9x s GLU 66 Cb -0.05 -0.67 -0.04 0.00 -0.44 0.00 0.00 34.13 32.93 1y9x s GLU 66 CO -0.06 -0.14 0.04 0.42 0.95 0.00 0.00 175.26 176.47 1y9x s ILE 67 N -3.41 4.66 -0.10 1.83 1.01 -1.26 -0.35 121.20 123.58 1y9x s ILE 67 Ca 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.85 1y9x s ILE 67 Cb 0.07 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.54 1y9x s ILE 67 CO 0.12 0.60 -0.00 0.50 0.00 0.00 0.00 174.94 176.16 1y9x h LYS 68 N 5.18 0.00 -1.25 2.79 1.63 -1.42 -3.45 116.57 120.04 1y9x h LYS 68 Ca -0.51 0.00 0.29 0.00 -0.85 0.00 0.00 60.65 59.58 1y9x h LYS 68 Cb 1.20 0.00 -0.20 0.00 -0.60 0.00 0.00 32.23 32.63 1y9x h LYS 68 CO 0.56 0.02 0.90 -2.00 -3.45 0.00 0.00 179.45 175.48 1y9x s GLU 69 N -1.62 0.16 -0.11 1.90 2.56 -1.23 -5.05 118.70 115.30 1y9x s GLU 69 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.97 54.89 1y9x s GLU 69 Cb 0.00 0.07 0.03 0.00 2.00 0.00 0.00 34.13 36.23 1y9x s GLU 69 CO 0.03 -0.07 -0.06 0.42 -0.56 0.00 0.00 175.26 175.03 1y9x s ILE 70 N -2.21 0.91 -0.05 -3.70 1.01 -1.26 -2.82 121.20 113.07 1y9x s ILE 70 Ca 0.11 -0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.53 1y9x s ILE 70 Cb -0.01 -0.99 -0.00 0.00 0.01 0.00 0.00 42.46 41.47 1y9x s ILE 70 CO -0.03 0.31 -0.18 -0.13 0.00 0.00 0.00 174.94 174.90 1y9x s ARG 71 N 1.75 2.00 -0.09 2.79 0.52 -0.36 -5.02 118.95 120.54 1y9x s ARG 71 Ca 0.04 -0.64 0.04 0.00 -0.52 0.00 0.00 55.73 54.65 1y9x s ARG 71 Cb -0.13 -1.68 -0.01 0.00 0.52 0.00 0.00 34.95 33.65 1y9x s ARG 71 CO -0.08 0.21 -0.22 0.08 0.02 0.00 0.00 175.30 175.32 1y9x s VAL 72 N 0.15 2.28 0.20 3.52 1.01 -1.26 -0.31 120.40 125.99 1y9x s VAL 72 Ca -0.07 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.72 1y9x s VAL 72 Cb -0.13 -1.87 0.05 0.00 0.00 0.00 0.00 36.38 34.43 1y9x s VAL 72 CO 0.03 0.56 0.64 -0.83 0.00 0.00 0.00 175.10 175.50 1y9x s GLY 73 N 0.08 -0.44 -0.16 4.51 0.00 -0.63 -5.03 107.32 105.65 1y9x s GLY 73 Ca -0.10 0.22 -0.20 0.00 0.00 0.00 0.00 44.72 44.64 1y9x s GLY 73 CO 0.06 0.07 0.56 -1.35 0.00 0.00 0.00 173.10 172.44 1y9x s SER 74 N -2.81 6.68 -0.38 1.64 1.04 -1.26 -0.27 113.70 118.34 1y9x s SER 74 Ca 0.04 0.81 -0.28 0.00 0.48 0.00 0.00 55.95 57.01 1y9x s SER 74 Cb -0.03 -2.32 0.02 0.00 0.10 0.00 0.00 66.02 63.79 1y9x s SER 74 CO -0.06 -0.15 1.03 -1.58 0.98 0.00 0.00 173.24 173.46 1y9x s GLN 75 N 1.32 3.88 -0.45 4.02 0.74 0.17 -4.81 119.66 124.54 1y9x s GLN 75 Ca 0.27 0.74 -0.15 0.00 0.05 0.00 0.00 55.36 56.27 1y9x s GLN 75 Cb -0.16 -3.81 0.05 0.00 1.10 0.00 0.00 33.01 30.20 1y9x s GLN 75 CO 0.11 -1.04 0.35 0.08 -0.55 0.00 0.00 175.29 174.23 1y9x s VAL 76 N 3.78 5.15 0.24 1.34 1.01 -1.26 -0.87 120.40 129.79 1y9x s VAL 76 Ca 0.43 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1y9x s VAL 76 Cb -0.11 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1y9x s VAL 76 CO 0.21 -0.48 -0.05 0.68 0.00 0.00 0.00 175.10 175.46 1y9x s VAL 77 N 1.64 1.37 -0.18 2.92 -7.23 -0.69 -4.93 120.40 113.30 1y9x s VAL 77 Ca 0.04 -2.09 -0.12 0.00 -1.81 0.00 0.00 61.98 58.00 1y9x s VAL 77 Cb -0.22 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 1y9x s VAL 77 CO 0.07 -0.40 0.21 0.42 -0.31 0.00 0.00 175.10 175.09 1y9x s THR 78 N -3.20 5.36 0.04 5.32 -4.23 -1.26 -0.15 115.64 117.53 1y9x s THR 78 Ca 0.27 0.36 -0.33 0.00 -1.18 0.00 0.00 61.69 60.80 1y9x s THR 78 Cb 0.04 -3.54 -0.19 0.00 1.34 0.00 0.00 72.50 70.15 1y9x s THR 78 CO 0.09 0.42 1.40 0.28 -0.54 0.00 0.00 174.62 176.27 1y9x h SER 79 N 6.61 -0.99 0.00 3.99 0.02 -1.03 -3.47 113.55 118.69 1y9x h SER 79 Ca -0.42 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1y9x h SER 79 Cb 1.16 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.96 1y9x h SER 79 CO 0.75 -0.65 0.00 0.00 -1.14 0.00 0.00 176.83 175.79 1y9x n GLN 80 N -5.56 0.00 -0.03 3.45 10.64 -1.26 -4.93 117.38 119.69 1y9x n GLN 80 Ca -0.15 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.10 1y9x n GLN 80 Cb 0.46 0.00 0.42 0.00 -0.86 0.00 0.00 30.24 30.26 1y9x n GLN 80 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1y9x n ASP 81 N -2.33 0.48 0.00 2.61 8.00 -1.26 -4.78 116.55 119.27 1y9x n ASP 81 Ca 0.00 -1.59 0.00 0.00 0.71 0.00 0.00 54.79 53.91 1y9x n ASP 81 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 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 0.84 0.86 3.60 0.44 0.00 -1.26 -5.02 105.19 104.64 1y9x n GLY 82 Ca 0.13 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.69 3.43 0.10 1.61 0.52 -1.26 -4.84 118.95 117.81 1y9x s ARG 83 Ca 0.00 1.18 -0.30 0.00 -0.52 0.00 0.00 55.73 56.09 1y9x s ARG 83 Cb 0.00 -4.12 -0.06 0.00 0.52 0.00 0.00 34.95 31.28 1y9x s ARG 83 CO 0.00 -1.74 1.20 -0.65 0.02 0.00 0.00 175.30 174.13 1y9x s GLN 84 N 5.36 4.45 -0.04 3.54 1.11 -1.26 -0.36 119.66 132.45 1y9x s GLN 84 Ca 0.71 1.80 0.03 0.00 0.01 0.00 0.00 55.36 57.91 1y9x s GLN 84 Cb -0.18 -3.31 0.00 0.00 -1.01 0.00 0.00 33.01 28.51 1y9x s GLN 84 CO 0.33 -0.21 -0.12 0.45 0.01 0.00 0.00 175.29 175.75 1y9x s SER 85 N 0.78 1.65 -0.14 5.90 0.15 0.79 -4.94 113.70 117.90 1y9x s SER 85 Ca 0.57 -0.27 -0.10 0.00 0.70 0.00 0.00 55.95 56.85 1y9x s SER 85 Cb -0.30 -0.55 -0.05 0.00 -1.71 0.00 0.00 66.02 63.41 1y9x s SER 85 CO 0.31 0.08 0.20 -0.13 1.20 0.00 0.00 173.24 174.90 1y9x s ARG 86 N 0.30 3.86 -0.07 5.44 0.52 -1.26 -1.70 118.95 126.03 1y9x s ARG 86 Ca -0.07 -0.05 -0.00 0.00 -0.52 0.00 0.00 55.73 55.09 1y9x s ARG 86 Cb -0.12 -3.30 0.02 0.00 0.52 0.00 0.00 34.95 32.08 1y9x s ARG 86 CO 0.02 0.54 -0.04 0.08 0.02 0.00 0.00 175.30 175.92 1y9x s VAL 87 N -0.37 0.62 0.17 3.52 1.01 -0.05 -4.91 120.40 120.39 1y9x s VAL 87 Ca 0.14 -0.08 -0.32 0.00 0.00 0.00 0.00 61.98 61.72 1y9x s VAL 87 Cb -0.12 -0.68 -0.12 0.00 0.00 0.00 0.00 36.38 35.46 1y9x s VAL 87 CO 0.03 0.28 1.77 -1.20 0.00 0.00 0.00 175.10 175.98 1y9x n SER 88 N 4.66 3.97 -4.24 3.32 7.64 -1.26 0.44 113.62 128.15 1y9x n SER 88 Ca -0.15 1.03 -0.14 0.00 1.01 0.00 0.00 58.87 60.63 1y9x n SER 88 Cb 0.50 -1.55 -0.10 0.00 -1.01 0.00 0.00 64.21 62.05 1y9x n SER 88 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1y9x s THR 89 N 1.82 0.89 0.01 0.44 -4.23 0.63 -0.16 115.64 115.03 1y9x s THR 89 Ca 0.78 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.30 1y9x s THR 89 Cb -0.51 -1.97 -0.01 0.00 1.34 0.00 0.00 72.50 71.36 1y9x s THR 89 CO 0.35 -0.63 -0.04 -0.51 -0.54 0.00 0.00 174.62 173.25 1y9x s ILE 90 N -3.51 0.27 -0.27 2.99 2.07 -0.31 -1.61 121.20 120.83 1y9x s ILE 90 Ca 0.20 -0.37 0.03 0.00 -1.41 0.00 0.00 60.65 59.10 1y9x s ILE 90 Cb 0.05 -0.28 0.07 0.00 0.13 0.00 0.00 42.46 42.43 1y9x s ILE 90 CO 0.02 -0.07 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.19 1y9x s GLU 91 N -0.47 2.10 -0.11 3.50 2.12 0.58 -2.07 118.70 124.34 1y9x s GLU 91 Ca -0.03 -1.41 0.03 0.00 0.36 0.00 0.00 54.97 53.92 1y9x s GLU 91 Cb -0.04 -2.92 -0.00 0.00 0.26 0.00 0.00 34.13 31.43 1y9x s GLU 91 CO -0.00 -0.63 -0.22 0.42 -0.54 0.00 0.00 175.26 174.30 1y9x s ILE 92 N 1.08 2.27 -0.05 -3.70 1.01 -0.12 -1.23 121.20 120.46 1y9x s ILE 92 Ca -0.06 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1y9x s ILE 92 Cb -0.20 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.40 1y9x s ILE 92 CO -0.06 0.55 -0.09 0.00 0.00 0.00 0.00 174.94 175.35 1y9x s ALA 93 N 0.39 0.99 0.17 9.38 0.00 -1.13 0.01 121.76 131.58 1y9x s ALA 93 Ca -0.16 -0.26 0.10 0.00 0.00 0.00 0.00 51.96 51.64 1y9x s ALA 93 Cb -0.17 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 1y9x s ALA 93 CO 0.07 0.07 -0.23 0.96 0.00 0.00 0.00 175.76 176.64 1y9x s ILE 94 N 0.72 2.16 -0.01 0.00 -4.36 -1.09 -1.11 121.20 117.52 1y9x s ILE 94 Ca -0.13 -1.93 0.04 0.00 -0.26 0.00 0.00 60.65 58.37 1y9x s ILE 94 Cb -0.15 -1.99 -0.01 0.00 1.25 0.00 0.00 42.46 41.56 1y9x s ILE 94 CO 0.02 -0.13 -0.13 -0.60 0.24 0.00 0.00 174.94 174.34 1y9x s ARG 95 N -2.56 1.05 0.44 0.37 3.52 0.52 -2.46 118.95 119.83 1y9x s ARG 95 Ca 0.18 -0.47 -0.07 0.00 -0.13 0.00 0.00 55.73 55.23 1y9x s ARG 95 Cb -0.08 -1.02 0.10 0.00 -1.56 0.00 0.00 34.95 32.39 1y9x s ARG 95 CO 0.08 0.28 0.58 1.63 -0.81 0.00 0.00 175.30 177.06 1y9x n LYS 96 N 2.74 -0.67 0.00 5.12 4.76 0.17 -0.84 118.16 129.44 1y9x n LYS 96 Ca -0.14 -0.90 0.13 0.00 -2.87 0.00 0.00 58.31 54.53 1y9x n LYS 96 Cb 0.55 -0.61 0.31 0.00 -1.84 0.00 0.00 35.03 33.44 1y9x n LYS 96 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39