#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9x h SER 2 N 0.00 -0.34 0.00 7.83 0.87 -2.11 -3.41 113.55 116.39 1y9x h SER 2 Ca 0.00 -0.19 -0.12 0.00 -1.23 0.00 0.00 61.79 60.25 1y9x h SER 2 Cb 0.00 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1y9x h SER 2 CO 0.00 0.09 -1.16 -0.24 -0.53 0.00 0.00 176.83 174.99 1y9x n SER 3 N -5.09 1.89 0.00 6.23 2.88 -1.26 -5.02 113.62 113.26 1y9x n SER 3 Ca -0.09 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1y9x n SER 3 Cb 0.27 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1y9x n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1y9x n GLY 4 N 1.47 0.84 3.36 0.46 0.00 -1.26 -5.08 105.19 104.97 1y9x n GLY 4 Ca -0.22 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.00 2.13 -0.11 2.61 -4.23 -1.26 -5.09 115.64 107.69 1y9x s THR 5 Ca 0.00 -1.60 -0.29 0.00 -1.18 0.00 0.00 61.69 58.62 1y9x s THR 5 Cb 0.00 -1.87 -0.06 0.00 1.34 0.00 0.00 72.50 71.91 1y9x s THR 5 CO 0.00 0.16 1.97 -2.16 -0.54 0.00 0.00 174.62 174.05 1y9x s PRO 6 N -1.76 3.71 0.23 3.99 0.04 -1.26 -4.99 135.00 134.97 1y9x s PRO 6 Ca 0.12 2.20 -0.24 0.00 0.04 0.00 0.00 61.00 63.12 1y9x s PRO 6 Cb -0.10 -4.21 -0.09 0.00 0.04 0.00 0.00 34.50 30.15 1y9x s PRO 6 CO 0.04 -1.43 0.82 -0.08 0.04 0.00 0.00 177.00 176.40 1y9x s THR 7 N 5.96 4.35 1.26 1.26 -1.32 -1.26 -5.07 115.64 120.82 1y9x s THR 7 Ca 0.89 1.65 -0.21 0.00 -1.21 0.00 0.00 61.69 62.81 1y9x s THR 7 Cb -0.35 -4.04 0.31 0.00 -1.51 0.00 0.00 72.50 66.90 1y9x s THR 7 CO 0.36 0.33 1.09 -2.84 -2.21 0.00 0.00 174.62 171.35 1y9x s PRO 8 N -1.63 -1.66 -0.15 7.08 0.02 -1.26 -4.91 135.00 132.50 1y9x s PRO 8 Ca 0.42 -0.11 0.00 0.00 0.02 0.00 0.00 61.00 61.33 1y9x s PRO 8 Cb -0.20 -1.55 0.14 0.00 0.02 0.00 0.00 34.50 32.91 1y9x s PRO 8 CO 0.25 -3.99 1.65 0.43 -0.33 0.00 0.00 177.00 175.01 1y9x n SER 9 N -4.95 4.67 -1.14 2.53 7.64 -1.26 -3.90 113.62 117.21 1y9x n SER 9 Ca 0.14 -2.60 0.10 0.00 1.01 0.00 0.00 58.87 57.52 1y9x n SER 9 Cb 0.60 -0.86 0.26 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.50 3.60 -4.52 6.43 6.94 -1.26 -4.89 115.26 122.06 1y9x n ASN 10 Ca 0.16 -1.98 -0.36 0.00 -0.02 0.00 0.00 54.58 52.38 1y9x n ASN 10 Cb 0.66 -0.38 -0.11 0.00 -2.36 0.00 0.00 39.78 37.59 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 -1.08 4.51 0.02 3.53 1.01 -1.25 -0.62 120.40 126.52 1y9x s VAL 11 Ca 0.41 -0.11 0.09 0.00 0.00 0.00 0.00 61.98 62.36 1y9x s VAL 11 Cb 0.22 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1y9x s VAL 11 CO 0.29 0.38 -0.26 0.68 0.00 0.00 0.00 175.10 176.19 1y9x s VAL 12 N 1.13 2.08 -0.18 2.92 -7.23 -0.64 -5.00 120.40 113.47 1y9x s VAL 12 Ca 0.04 -1.28 -0.08 0.00 -1.81 0.00 0.00 61.98 58.85 1y9x s VAL 12 Cb -0.14 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 1y9x s VAL 12 CO 0.03 0.43 0.11 -0.76 -0.31 0.00 0.00 175.10 174.60 1y9x s LEU 13 N -1.01 4.09 -0.40 1.32 2.01 -1.26 -0.67 118.68 122.76 1y9x s LEU 13 Ca 0.11 0.22 -0.19 0.00 0.01 0.00 0.00 54.13 54.28 1y9x s LEU 13 Cb -0.10 -2.04 0.01 0.00 0.01 0.00 0.00 46.19 44.08 1y9x s LEU 13 CO 0.01 0.22 0.54 -0.63 1.01 0.00 0.00 176.35 177.50 1y9x s ILE 14 N 0.11 4.96 0.00 -0.59 -1.09 -0.72 -4.66 121.20 119.21 1y9x s ILE 14 Ca 0.08 0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 1y9x s ILE 14 Cb -0.12 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 1y9x s ILE 14 CO -0.00 -0.42 0.00 0.61 -1.23 0.00 0.00 174.94 173.89 1y9x n GLY 15 N 4.97 0.00 2.00 6.18 0.00 -1.26 -4.30 105.19 112.78 1y9x n GLY 15 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -3.93 1.61 5.02 -1.26 -5.12 118.16 114.47 1y9x n LYS 16 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 1y9x n LYS 16 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1y9x n LYS 16 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1y9x s LYS 17 N -2.00 3.32 0.87 1.97 -0.14 -1.26 -5.09 119.74 117.41 1y9x s LYS 17 Ca 0.00 -0.84 -0.10 0.00 -1.36 0.00 0.00 55.97 53.67 1y9x s LYS 17 Cb 0.00 -2.83 0.12 0.00 -1.68 0.00 0.00 37.83 33.44 1y9x s LYS 17 CO 0.00 0.38 1.14 -1.25 -0.76 0.00 0.00 175.35 174.86 1y9x s PRO 18 N -3.98 1.35 0.31 -1.68 0.04 -1.26 -4.91 135.00 124.87 1y9x s PRO 18 Ca 0.35 1.48 0.03 0.00 0.04 0.00 0.00 61.00 62.90 1y9x s PRO 18 Cb -0.09 -1.77 0.62 0.00 0.04 0.00 0.00 34.50 33.31 1y9x s PRO 18 CO 0.29 -2.38 1.88 -0.24 0.04 0.00 0.00 177.00 176.59 1y9x h VAL 19 N -1.63 0.96 0.00 -0.36 3.04 -1.98 -1.14 116.25 115.14 1y9x h VAL 19 Ca -0.43 -0.31 -0.01 0.00 -1.01 0.00 0.00 66.70 64.94 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 0.44 0.17 -0.03 0.00 -1.01 0.00 0.00 177.57 177.14 1y9x h MET 20 N 0.92 0.00 -0.32 4.17 -0.00 -1.98 -1.65 114.93 116.07 1y9x h MET 20 Ca 0.44 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 60.04 1y9x h MET 20 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.02 1y9x h MET 20 CO -0.20 0.03 -0.16 -0.97 -0.00 0.00 0.00 176.91 175.62 1y9x h ASN 21 N 0.00 0.69 0.11 -0.10 -1.24 -1.55 -2.17 115.58 111.32 1y9x h ASN 21 Ca -0.00 -0.41 -0.15 0.00 0.71 0.00 0.00 56.30 56.45 1y9x h ASN 21 Cb 0.08 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 1y9x h ASN 21 CO 0.00 0.95 -0.53 1.88 -1.29 0.00 0.00 177.43 178.44 1y9x h TYR 22 N 0.43 0.57 0.16 0.67 0.05 -1.37 -0.15 116.97 117.34 1y9x h TYR 22 Ca 0.07 -0.20 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 1y9x h TYR 22 Cb 0.69 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.32 1y9x h TYR 22 CO 0.06 0.89 -0.08 0.28 -1.05 0.00 0.00 178.16 178.26 1y9x h VAL 23 N 0.36 0.85 -0.24 -2.88 2.07 -1.34 -0.40 116.25 114.66 1y9x h VAL 23 Ca 0.01 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 1y9x h VAL 23 Cb 1.05 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1y9x h VAL 23 CO 0.09 0.01 -0.17 -0.07 0.02 0.00 0.00 177.57 177.45 1y9x h LEU 24 N -0.24 0.41 -0.31 2.57 3.38 -1.26 -2.48 115.31 117.38 1y9x h LEU 24 Ca -0.02 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1y9x h LEU 24 Cb 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1y9x h LEU 24 CO 0.04 0.60 0.06 0.00 0.09 0.00 0.00 178.44 179.23 1y9x h ALA 25 N 1.44 0.41 -0.60 1.53 0.00 -0.72 -1.06 119.26 120.26 1y9x h ALA 25 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1y9x h ALA 25 Cb 0.53 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1y9x h ALA 25 CO 0.03 0.09 0.39 0.00 0.00 0.00 0.00 179.25 179.77 1y9x h ALA 26 N 0.89 0.76 -0.43 0.00 0.00 -0.83 0.80 119.26 120.46 1y9x h ALA 26 Ca 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1y9x h ALA 26 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1y9x h ALA 26 CO 0.00 0.21 0.13 -0.07 0.00 0.00 0.00 179.25 179.52 1y9x h LEU 27 N 0.81 0.57 -0.08 0.00 3.38 -1.28 -0.49 115.31 118.22 1y9x h LEU 27 Ca 0.22 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 1y9x h LEU 27 Cb -0.08 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.53 1y9x h LEU 27 CO -0.05 0.55 -0.53 0.74 0.09 0.00 0.00 178.44 179.25 1y9x h THR 28 N 0.62 1.38 -0.32 0.22 2.02 -0.45 -3.17 112.91 113.21 1y9x h THR 28 Ca 0.15 -1.88 -0.06 0.00 0.77 0.00 0.00 66.41 65.39 1y9x h THR 28 Cb 0.19 2.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 1y9x h THR 28 CO -0.01 0.56 -0.04 -0.07 0.37 0.00 0.00 175.52 176.33 1y9x h LEU 29 N 0.08 0.48 -0.56 2.58 3.38 -0.60 -2.87 115.31 117.80 1y9x h LEU 29 Ca -0.04 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.85 1y9x h LEU 29 Cb 1.19 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 1y9x h LEU 29 CO 0.11 0.58 0.34 0.25 0.09 0.00 0.00 178.44 179.81 1y9x h LEU 30 N 0.48 0.56 -1.48 1.67 7.12 -1.08 -1.15 115.31 121.43 1y9x h LEU 30 Ca 0.10 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.09 1y9x h LEU 30 Cb 0.38 -0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 40.39 1y9x h LEU 30 CO 0.02 0.39 -0.11 -1.13 -0.13 0.00 0.00 178.44 177.48 1y9x h ASN 31 N 0.68 0.00 0.20 1.25 -0.00 -1.48 -2.16 115.58 114.07 1y9x h ASN 31 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.53 1y9x h ASN 31 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.34 1y9x h ASN 31 CO -0.10 0.11 -0.02 0.00 -0.00 0.00 0.00 177.43 177.42 1y9x n GLN 32 N -3.30 0.87 0.00 6.67 1.13 -0.47 -4.85 117.38 117.43 1y9x n GLN 32 Ca -0.00 -0.15 0.00 0.00 -1.94 0.00 0.00 57.00 54.91 1y9x n GLN 32 Cb 0.33 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.18 1y9x n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1y9x n GLY 33 N 1.14 0.72 3.42 1.08 0.00 -0.81 -5.03 105.19 105.71 1y9x n GLY 33 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 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 4.87 -1.01 1.61 1.01 -0.99 -4.78 120.40 119.11 1y9x s VAL 34 Ca 0.00 -1.55 0.23 0.00 0.00 0.00 0.00 61.98 60.65 1y9x s VAL 34 Cb 0.00 -4.67 -0.13 0.00 0.00 0.00 0.00 36.38 31.58 1y9x s VAL 34 CO 0.00 -1.36 1.12 -1.54 0.00 0.00 0.00 175.10 173.32 1y9x n SER 35 N 6.14 0.80 -4.04 3.32 3.41 -1.26 -3.30 113.62 118.69 1y9x n SER 35 Ca 0.15 -0.69 -0.31 0.00 -0.26 0.00 0.00 58.87 57.75 1y9x n SER 35 Cb 0.47 0.68 -0.15 0.00 -0.26 0.00 0.00 64.21 64.95 1y9x n SER 35 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1y9x s GLU 36 N -2.99 1.84 0.17 4.33 -6.30 -1.26 0.35 118.70 114.83 1y9x s GLU 36 Ca 0.09 -1.60 0.07 0.00 -2.50 0.00 0.00 54.97 51.04 1y9x s GLU 36 Cb 0.17 -3.03 -0.04 0.00 0.00 0.00 0.00 34.13 31.22 1y9x s GLU 36 CO 0.79 -0.76 -0.15 0.96 0.02 0.00 0.00 175.26 176.13 1y9x s ILE 37 N 1.01 1.63 -0.18 -3.70 -0.00 -1.01 -4.92 121.20 114.04 1y9x s ILE 37 Ca 0.01 -2.02 0.01 0.00 -0.00 0.00 0.00 60.65 58.64 1y9x s ILE 37 Cb -0.19 -1.87 0.03 0.00 -0.00 0.00 0.00 42.46 40.43 1y9x s ILE 37 CO -0.07 -0.50 -0.12 -0.69 -0.00 0.00 0.00 174.94 173.56 1y9x s VAL 38 N -2.59 1.63 -0.26 8.37 1.01 0.20 -2.29 120.40 126.48 1y9x s VAL 38 Ca 0.17 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 1y9x s VAL 38 Cb -0.03 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1y9x s VAL 38 CO 0.05 0.30 0.27 -0.63 0.00 0.00 0.00 175.10 175.10 1y9x s ILE 39 N 1.43 5.26 -0.18 2.22 1.01 0.71 -1.63 121.20 130.02 1y9x s ILE 39 Ca 0.01 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1y9x s ILE 39 Cb -0.15 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.73 1y9x s ILE 39 CO -0.09 0.24 -0.17 -0.54 0.00 0.00 0.00 174.94 174.38 1y9x s LYS 40 N 1.68 3.09 0.22 2.79 1.02 0.16 -0.38 119.74 128.31 1y9x s LYS 40 Ca 0.11 -0.79 0.10 0.00 0.02 0.00 0.00 55.97 55.41 1y9x s LYS 40 Cb -0.15 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 1y9x s LYS 40 CO 0.09 -0.17 -0.11 0.00 -0.92 0.00 0.00 175.35 174.24 1y9x s ALA 41 N 1.24 2.91 0.02 5.17 0.00 -0.87 -1.75 121.76 128.46 1y9x s ALA 41 Ca 0.03 -1.59 0.04 0.00 0.00 0.00 0.00 51.96 50.44 1y9x s ALA 41 Cb -0.14 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 1y9x s ALA 41 CO -0.09 0.39 -0.12 1.03 0.00 0.00 0.00 175.76 176.97 1y9x s ARG 42 N -3.10 0.91 7.92 0.00 0.52 -1.26 -1.37 118.95 122.58 1y9x s ARG 42 Ca 0.27 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 1y9x s ARG 42 Cb -0.08 -0.89 0.00 0.00 0.52 0.00 0.00 34.95 34.51 1y9x s ARG 42 CO 0.15 0.23 0.00 0.41 0.02 0.00 0.00 175.30 176.11 1y9x n GLY 43 N 2.32 3.54 0.04 -3.53 0.00 0.12 -1.83 105.19 105.84 1y9x n GLY 43 Ca -0.16 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 45.93 1y9x n GLY 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1y9x n ARG 44 N 12.74 0.18 0.00 1.61 0.63 -1.26 -3.59 116.66 126.97 1y9x n ARG 44 Ca 0.00 -0.07 0.12 0.00 -0.92 0.00 0.00 57.85 56.98 1y9x n ARG 44 Cb 0.00 -1.50 0.66 0.00 0.45 0.00 0.00 32.46 32.07 1y9x n ARG 44 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1y9x n ALA 45 N -1.35 2.30 -0.23 5.13 0.00 -0.76 -3.22 120.51 122.39 1y9x n ALA 45 Ca 0.08 -0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.48 1y9x n ALA 45 Cb 0.33 -1.41 0.36 0.00 0.00 0.00 0.00 19.45 18.73 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 0.94 -0.11 0.00 2.04 -1.74 -0.21 117.51 118.43 1y9x h ILE 46 Ca 0.00 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 1y9x h ILE 46 Cb 0.19 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1y9x h ILE 46 CO 0.00 0.13 -0.17 0.77 0.00 0.00 0.00 178.15 178.88 1y9x h SER 47 N 0.74 0.16 0.83 1.72 4.64 -1.86 -2.59 113.55 117.19 1y9x h SER 47 Ca 0.37 -0.04 -0.22 0.00 -0.47 0.00 0.00 61.79 61.44 1y9x h SER 47 Cb 0.47 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1y9x h SER 47 CO -0.15 0.35 -1.00 0.11 -0.87 0.00 0.00 176.83 175.27 1y9x h LYS 48 N 0.16 0.09 -0.20 4.77 1.57 -1.28 -2.71 116.57 118.97 1y9x h LYS 48 Ca 0.03 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1y9x h LYS 48 Cb 0.41 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1y9x h LYS 48 CO 0.03 1.01 0.01 0.00 -0.57 0.00 0.00 179.45 179.93 1y9x h ALA 49 N 0.94 0.27 -0.09 3.86 0.00 -1.05 -0.56 119.26 122.63 1y9x h ALA 49 Ca -0.04 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 1y9x h ALA 49 Cb 1.72 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1y9x h ALA 49 CO 0.14 -0.03 -0.62 -0.24 0.00 0.00 0.00 179.25 178.51 1y9x h VAL 50 N 0.13 1.37 -0.25 0.00 3.04 -1.61 -2.84 116.25 116.09 1y9x h VAL 50 Ca 0.06 -1.97 0.00 0.00 -1.01 0.00 0.00 66.70 63.78 1y9x h VAL 50 Cb 0.36 1.98 -0.01 0.00 -2.01 0.00 0.00 31.29 31.60 1y9x h VAL 50 CO 0.01 0.59 0.16 -0.78 -1.01 0.00 0.00 177.57 176.54 1y9x h ASP 51 N 0.24 0.29 -0.08 3.17 3.58 -1.32 0.40 116.42 122.70 1y9x h ASP 51 Ca -0.01 -0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.46 1y9x h ASP 51 Cb 1.14 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 42.06 1y9x h ASP 51 CO 0.10 0.22 -0.25 0.74 -2.88 0.00 0.00 179.24 177.18 1y9x h THR 52 N 0.33 0.42 -0.01 2.25 2.02 -0.98 -1.44 112.91 115.49 1y9x h THR 52 Ca 0.09 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.16 1y9x h THR 52 Cb -0.02 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1y9x h THR 52 CO -0.02 0.00 -0.51 -0.37 0.37 0.00 0.00 175.52 175.00 1y9x h VAL 53 N -0.34 1.36 -0.58 3.16 -1.51 -1.26 -2.54 116.25 114.55 1y9x h VAL 53 Ca 0.09 -1.74 -0.10 0.00 -1.23 0.00 0.00 66.70 63.71 1y9x h VAL 53 Cb 0.46 1.92 -0.02 0.00 -2.13 0.00 0.00 31.29 31.52 1y9x h VAL 53 CO -0.28 0.50 -0.05 -0.08 -1.23 0.00 0.00 177.57 176.43 1y9x h GLU 54 N 0.03 1.05 -0.45 5.19 4.81 -0.58 -1.66 114.58 122.98 1y9x h GLU 54 Ca -0.00 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1y9x h GLU 54 Cb 0.91 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 1y9x h GLU 54 CO 0.07 1.05 0.30 0.82 -0.73 0.00 0.00 179.01 180.52 1y9x h ILE 55 N 0.95 1.11 -0.89 2.32 2.04 -1.04 -2.39 117.51 119.62 1y9x h ILE 55 Ca 0.16 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1y9x h ILE 55 Cb 0.61 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1y9x h ILE 55 CO 0.04 0.11 0.51 0.58 0.00 0.00 0.00 178.15 179.39 1y9x h VAL 56 N 0.61 1.25 -0.12 1.67 2.07 -1.22 -1.25 116.25 119.27 1y9x h VAL 56 Ca 0.17 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1y9x h VAL 56 Cb -0.07 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.73 1y9x h VAL 56 CO -0.04 0.27 0.00 0.54 0.02 0.00 0.00 177.57 178.37 1y9x n ARG 57 N -4.37 1.53 -0.11 1.57 1.74 -0.64 -1.60 116.66 114.78 1y9x n ARG 57 Ca 0.09 -0.53 0.00 0.00 -0.77 0.00 0.00 57.85 56.65 1y9x n ARG 57 Cb 0.08 -1.41 0.01 0.00 -1.02 0.00 0.00 32.46 30.11 1y9x n ARG 57 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1y9x n ASN 58 N 0.02 0.34 0.00 0.55 5.15 -0.53 -4.40 115.26 116.39 1y9x n ASN 58 Ca 0.05 -1.43 0.00 0.00 -0.60 0.00 0.00 54.58 52.59 1y9x n ASN 58 Cb 0.29 -0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 1y9x n ASN 58 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1y9x n ARG 59 N -0.12 0.00 0.00 1.20 0.63 -0.84 -5.01 116.66 112.51 1y9x n ARG 59 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1y9x n ARG 59 Cb 0.52 -0.04 0.00 0.00 0.45 0.00 0.00 32.46 33.39 1y9x n ARG 59 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1y9x n PHE 60 N -2.40 0.00 -3.86 -0.14 7.35 -0.63 -4.90 117.46 112.88 1y9x n PHE 60 Ca 0.00 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.40 1y9x n PHE 60 Cb 0.00 -0.24 -0.16 0.00 0.35 0.00 0.00 39.48 39.43 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 -4.42 1.95 -0.06 -2.13 2.01 -1.19 -4.95 118.68 109.89 1y9x s LEU 61 Ca 0.00 -1.00 0.20 0.00 0.01 0.00 0.00 54.13 53.34 1y9x s LEU 61 Cb 0.00 -0.93 0.69 0.00 0.01 0.00 0.00 46.19 45.96 1y9x s LEU 61 CO 0.00 -0.26 1.59 0.00 1.01 0.00 0.00 176.35 178.69 1y9x n ALA 62 N 4.83 2.77 0.05 4.21 0.00 -1.26 -4.45 120.51 126.66 1y9x n ALA 62 Ca -0.11 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 51.88 1y9x n ALA 62 Cb 0.45 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 1.39 0.43 -4.56 0.00 2.03 -1.26 -4.97 116.55 109.60 1y9x n ASP 63 Ca 0.25 0.15 -0.41 0.00 0.52 0.00 0.00 54.79 55.30 1y9x n ASP 63 Cb 0.77 -0.06 -0.03 0.00 -0.72 0.00 0.00 41.12 41.08 1y9x n ASP 63 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1y9x s LYS 64 N -1.59 3.24 -0.29 -0.67 1.02 -1.26 -4.93 119.74 115.26 1y9x s LYS 64 Ca 0.00 0.03 -0.14 0.00 0.02 0.00 0.00 55.97 55.88 1y9x s LYS 64 Cb 0.00 -4.15 0.10 0.00 -0.52 0.00 0.00 37.83 33.26 1y9x s LYS 64 CO 0.00 -2.06 0.70 -1.50 -0.92 0.00 0.00 175.35 171.57 1y9x s ILE 65 N 5.85 -0.33 -0.10 2.17 1.10 -1.26 -4.62 121.20 124.01 1y9x s ILE 65 Ca 0.41 0.00 0.04 0.00 -0.51 0.00 0.00 60.65 60.59 1y9x s ILE 65 Cb -0.09 -1.00 -0.00 0.00 0.15 0.00 0.00 42.46 41.52 1y9x s ILE 65 CO 0.19 0.00 -0.23 -0.70 -2.11 0.00 0.00 174.94 172.10 1y9x s GLU 66 N 2.05 3.04 -0.17 3.50 2.12 -0.60 -4.99 118.70 123.64 1y9x s GLU 66 Ca -0.09 -0.86 -0.15 0.00 0.36 0.00 0.00 54.97 54.24 1y9x s GLU 66 Cb -0.07 -2.33 -0.04 0.00 0.26 0.00 0.00 34.13 31.95 1y9x s GLU 66 CO -0.19 0.21 0.35 0.42 -0.54 0.00 0.00 175.26 175.50 1y9x s ILE 67 N 0.28 5.26 -0.11 -3.70 1.01 -1.26 -0.16 121.20 122.52 1y9x s ILE 67 Ca -0.16 0.63 -0.06 0.00 0.00 0.00 0.00 60.65 61.06 1y9x s ILE 67 Cb -0.17 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 1y9x s ILE 67 CO 0.08 0.33 -0.12 0.50 0.00 0.00 0.00 174.94 175.73 1y9x h LYS 68 N 6.98 0.00 -1.87 2.79 3.64 -1.69 -3.46 116.57 122.96 1y9x h LYS 68 Ca -0.39 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.98 1y9x h LYS 68 Cb 1.17 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.76 1y9x h LYS 68 CO 0.74 0.00 0.25 -2.00 -2.27 0.00 0.00 179.45 176.16 1y9x s GLU 69 N -1.90 0.76 -0.22 1.90 2.56 -0.96 -5.04 118.70 115.80 1y9x s GLU 69 Ca -0.10 0.76 -0.04 0.00 0.00 0.00 0.00 54.97 55.59 1y9x s GLU 69 Cb 0.01 0.37 0.09 0.00 2.00 0.00 0.00 34.13 36.61 1y9x s GLU 69 CO 0.15 -0.12 0.20 0.96 -0.56 0.00 0.00 175.26 175.88 1y9x s ILE 70 N 0.08 -0.27 0.03 -3.70 -4.36 -1.26 -1.09 121.20 110.62 1y9x s ILE 70 Ca -0.01 -0.24 0.04 0.00 -0.26 0.00 0.00 60.65 60.18 1y9x s ILE 70 Cb -0.04 -0.73 -0.02 0.00 1.25 0.00 0.00 42.46 42.92 1y9x s ILE 70 CO 0.00 -0.31 -0.13 -0.13 0.24 0.00 0.00 174.94 174.61 1y9x s ARG 71 N 2.27 0.86 -0.09 0.37 0.52 -0.98 -5.00 118.95 116.90 1y9x s ARG 71 Ca 0.07 -0.67 0.03 0.00 -0.52 0.00 0.00 55.73 54.64 1y9x s ARG 71 Cb -0.16 -0.84 -0.01 0.00 0.52 0.00 0.00 34.95 34.46 1y9x s ARG 71 CO -0.17 0.21 -0.19 0.08 0.02 0.00 0.00 175.30 175.25 1y9x s VAL 72 N -0.77 2.56 0.17 3.52 1.01 -1.26 -0.98 120.40 124.64 1y9x s VAL 72 Ca 0.01 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 1y9x s VAL 72 Cb -0.07 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.31 1y9x s VAL 72 CO 0.01 0.55 0.27 0.61 0.00 0.00 0.00 175.10 176.54 1y9x n GLY 73 N 3.23 2.31 3.10 4.51 0.00 0.40 -5.00 105.19 113.73 1y9x n GLY 73 Ca -0.18 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.19 1y9x n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y9x s SER 74 N -1.97 2.41 -0.10 1.61 0.01 -1.26 0.34 113.70 114.74 1y9x s SER 74 Ca 0.11 -0.43 -0.02 0.00 1.31 0.00 0.00 55.95 56.93 1y9x s SER 74 Cb -0.01 -1.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.09 1y9x s SER 74 CO 0.08 0.07 0.00 -1.58 0.41 0.00 0.00 173.24 172.22 1y9x s GLN 75 N 0.67 3.08 -0.45 12.44 0.74 0.71 -4.89 119.66 131.96 1y9x s GLN 75 Ca -0.13 -0.41 -0.17 0.00 0.05 0.00 0.00 55.36 54.70 1y9x s GLN 75 Cb -0.16 -2.82 0.04 0.00 1.10 0.00 0.00 33.01 31.17 1y9x s GLN 75 CO 0.04 0.65 0.47 0.08 -0.55 0.00 0.00 175.29 175.98 1y9x s VAL 76 N -0.74 5.08 0.14 1.34 1.01 -1.26 -0.61 120.40 125.35 1y9x s VAL 76 Ca 0.12 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.64 1y9x s VAL 76 Cb -0.12 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1y9x s VAL 76 CO 0.02 -0.54 -0.17 0.68 0.00 0.00 0.00 175.10 175.09 1y9x s VAL 77 N 2.13 2.85 -0.33 2.92 -7.23 0.02 -4.92 120.40 115.83 1y9x s VAL 77 Ca 0.11 -1.59 -0.18 0.00 -1.81 0.00 0.00 61.98 58.51 1y9x s VAL 77 Cb -0.19 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 1y9x s VAL 77 CO 0.12 0.04 0.52 0.42 -0.31 0.00 0.00 175.10 175.89 1y9x s THR 78 N -1.29 5.01 0.09 5.32 -4.23 -1.26 -0.25 115.64 119.03 1y9x s THR 78 Ca 0.19 0.46 -0.11 0.00 -1.18 0.00 0.00 61.69 61.05 1y9x s THR 78 Cb -0.10 -3.95 -0.21 0.00 1.34 0.00 0.00 72.50 69.59 1y9x s THR 78 CO 0.11 -0.17 1.24 -1.28 -0.54 0.00 0.00 174.62 173.98 1y9x h SER 79 N 8.38 0.83 0.00 3.99 0.87 -1.03 -3.47 113.55 123.13 1y9x h SER 79 Ca -0.28 -0.64 0.00 0.00 -1.23 0.00 0.00 61.79 59.64 1y9x h SER 79 Cb 1.13 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1y9x h SER 79 CO 0.77 1.44 0.00 0.00 -0.53 0.00 0.00 176.83 178.51 1y9x n GLN 80 N -3.84 0.00 0.00 2.24 1.13 -1.26 -5.02 117.38 110.63 1y9x n GLN 80 Ca -0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.97 1y9x n GLN 80 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.20 1y9x n GLN 80 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1y9x n ASP 81 N 0.00 0.00 -0.28 1.08 9.92 -1.26 -4.79 116.55 121.22 1y9x n ASP 81 Ca 0.00 0.06 0.07 0.00 -0.53 0.00 0.00 54.79 54.39 1y9x n ASP 81 Cb 0.00 -0.19 0.11 0.00 -0.64 0.00 0.00 41.12 40.39 1y9x n ASP 81 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1y9x n GLY 82 N 2.17 3.69 3.56 0.44 0.00 -1.26 -4.96 105.19 108.83 1y9x n GLY 82 Ca 0.00 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.10 3.26 0.00 1.61 0.52 -1.26 -4.98 118.95 116.01 1y9x s ARG 83 Ca 0.25 -0.06 -0.25 0.00 -0.52 0.00 0.00 55.73 55.15 1y9x s ARG 83 Cb 0.22 -4.14 -0.05 0.00 0.52 0.00 0.00 34.95 31.51 1y9x s ARG 83 CO 0.00 -2.04 0.76 -0.65 0.02 0.00 0.00 175.30 173.39 1y9x s GLN 84 N 5.57 4.48 -0.04 3.54 -0.21 -1.26 -0.31 119.66 131.42 1y9x s GLN 84 Ca 0.39 1.02 0.01 0.00 0.02 0.00 0.00 55.36 56.81 1y9x s GLN 84 Cb -0.08 -3.40 0.02 0.00 1.00 0.00 0.00 33.01 30.55 1y9x s GLN 84 CO 0.18 0.18 -0.06 0.45 -2.12 0.00 0.00 175.29 173.93 1y9x s SER 85 N 0.32 1.02 -0.17 5.90 0.15 0.65 -4.94 113.70 116.63 1y9x s SER 85 Ca 0.39 -0.15 -0.21 0.00 0.70 0.00 0.00 55.95 56.68 1y9x s SER 85 Cb -0.20 -0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 63.63 1y9x s SER 85 CO 0.22 -0.02 0.64 -0.13 1.20 0.00 0.00 173.24 175.14 1y9x s ARG 86 N 0.75 4.26 -0.14 5.44 0.52 -1.26 -0.80 118.95 127.71 1y9x s ARG 86 Ca -0.11 0.67 0.01 0.00 -0.52 0.00 0.00 55.73 55.77 1y9x s ARG 86 Cb -0.14 -3.55 0.02 0.00 0.52 0.00 0.00 34.95 31.81 1y9x s ARG 86 CO 0.01 -0.18 -0.14 0.08 0.02 0.00 0.00 175.30 175.09 1y9x s VAL 87 N 1.70 1.55 0.14 3.52 1.01 0.22 -4.93 120.40 123.61 1y9x s VAL 87 Ca 0.30 -0.63 -0.31 0.00 0.00 0.00 0.00 61.98 61.34 1y9x s VAL 87 Cb -0.16 -1.45 -0.10 0.00 0.00 0.00 0.00 36.38 34.67 1y9x s VAL 87 CO 0.11 0.45 1.64 -0.55 0.00 0.00 0.00 175.10 176.76 1y9x s SER 88 N 1.41 6.55 -0.06 3.32 0.15 -1.26 -0.21 113.70 123.59 1y9x s SER 88 Ca 0.03 2.63 0.06 0.00 0.70 0.00 0.00 55.95 59.37 1y9x s SER 88 Cb -0.13 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.59 1y9x s SER 88 CO -0.09 -0.88 -0.24 0.42 1.20 0.00 0.00 173.24 173.65 1y9x s THR 89 N 1.71 1.98 -0.10 6.45 -4.23 0.15 -0.71 115.64 120.90 1y9x s THR 89 Ca 0.73 -1.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.25 1y9x s THR 89 Cb -0.44 -1.68 0.01 0.00 1.34 0.00 0.00 72.50 71.73 1y9x s THR 89 CO 0.32 0.55 -0.19 -0.51 -0.54 0.00 0.00 174.62 174.25 1y9x s ILE 90 N -0.05 1.73 -0.34 2.99 2.07 -0.47 -0.46 121.20 126.67 1y9x s ILE 90 Ca -0.06 -0.81 -0.08 0.00 -1.41 0.00 0.00 60.65 58.29 1y9x s ILE 90 Cb -0.14 -1.53 0.03 0.00 0.13 0.00 0.00 42.46 40.95 1y9x s ILE 90 CO 0.04 0.49 0.14 -1.61 -1.91 0.00 0.00 174.94 172.09 1y9x s GLU 91 N 0.61 2.76 -0.42 3.50 2.02 -0.16 -2.06 118.70 124.96 1y9x s GLU 91 Ca -0.14 -1.10 -0.12 0.00 0.02 0.00 0.00 54.97 53.64 1y9x s GLU 91 Cb -0.17 -3.54 0.06 0.00 0.10 0.00 0.00 34.13 30.59 1y9x s GLU 91 CO 0.04 -0.64 0.28 0.42 0.02 0.00 0.00 175.26 175.38 1y9x s ILE 92 N 1.47 4.64 -0.20 -1.63 -1.09 0.49 -2.31 121.20 122.58 1y9x s ILE 92 Ca 0.00 -1.12 -0.01 0.00 -2.23 0.00 0.00 60.65 57.29 1y9x s ILE 92 Cb -0.19 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 1y9x s ILE 92 CO 0.04 -0.43 -0.12 0.00 -1.23 0.00 0.00 174.94 173.20 1y9x s ALA 93 N 1.53 2.58 0.10 9.38 0.00 -0.25 -0.21 121.76 134.89 1y9x s ALA 93 Ca 0.03 -1.17 0.07 0.00 0.00 0.00 0.00 51.96 50.88 1y9x s ALA 93 Cb -0.22 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 1y9x s ALA 93 CO 0.05 -0.34 -0.17 0.96 0.00 0.00 0.00 175.76 176.26 1y9x s ILE 94 N 1.31 1.42 -0.17 0.00 -4.36 -0.97 -1.84 121.20 116.59 1y9x s ILE 94 Ca 0.04 -1.54 0.01 0.00 -0.26 0.00 0.00 60.65 58.90 1y9x s ILE 94 Cb -0.14 -1.40 0.02 0.00 1.25 0.00 0.00 42.46 42.19 1y9x s ILE 94 CO -0.07 -0.23 -0.17 -0.60 0.24 0.00 0.00 174.94 174.11 1y9x s ARG 95 N -2.11 2.66 -0.03 0.37 3.52 0.78 -2.39 118.95 121.74 1y9x s ARG 95 Ca 0.05 -0.75 -0.25 0.00 -0.13 0.00 0.00 55.73 54.65 1y9x s ARG 95 Cb -0.08 -2.41 -0.04 0.00 -1.56 0.00 0.00 34.95 30.86 1y9x s ARG 95 CO 0.03 -0.25 0.75 0.15 -0.81 0.00 0.00 175.30 175.18 1y9x s LYS 96 N 1.36 4.46 0.00 5.12 -0.14 0.15 -1.56 119.74 129.13 1y9x s LYS 96 Ca 0.04 0.99 0.00 0.00 -1.36 0.00 0.00 55.97 55.64 1y9x s LYS 96 Cb -0.13 -3.43 0.00 0.00 -1.68 0.00 0.00 37.83 32.59 1y9x s LYS 96 CO -0.12 0.10 0.04 1.63 -0.76 0.00 0.00 175.35 176.24