#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 0.00 -2.59 7.83 0.02 -2.09 -3.44 113.55 113.28 1y9x h SER 2 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 1y9x h SER 2 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 1y9x h SER 2 CO 0.00 0.29 -0.66 -0.44 -1.14 0.00 0.00 176.83 174.88 1y9x s SER 3 N -6.52 3.07 0.19 3.07 0.01 -1.26 -5.04 113.70 107.21 1y9x s SER 3 Ca -0.02 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.01 1y9x s SER 3 Cb 0.13 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.13 1y9x s SER 3 CO 0.67 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.58 1y9x n GLY 4 N -0.68 -1.12 3.91 3.44 0.00 -1.26 -5.14 105.19 104.35 1y9x n GLY 4 Ca -0.05 0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 4.49 -2.00 2.61 -4.23 -1.26 -4.99 115.64 108.25 1y9x s THR 5 Ca 0.00 0.06 0.06 0.00 -1.18 0.00 0.00 61.69 60.63 1y9x s THR 5 Cb 0.00 -3.72 0.17 0.00 1.34 0.00 0.00 72.50 70.30 1y9x s THR 5 CO 0.00 -0.69 1.15 -0.81 -0.54 0.00 0.00 174.62 173.73 1y9x n PRO 6 N -2.32 1.43 -3.12 3.99 -0.05 -1.26 -4.82 135.00 128.85 1y9x n PRO 6 Ca 0.02 -0.66 -0.42 0.00 -0.05 0.00 0.00 63.50 62.38 1y9x n PRO 6 Cb 0.56 -1.15 -0.07 0.00 -0.05 0.00 0.00 33.50 32.79 1y9x n PRO 6 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 175.50 176.44 1y9x s THR 7 N -1.76 4.86 -0.12 0.52 2.01 -1.26 -5.03 115.64 114.87 1y9x s THR 7 Ca 0.13 0.33 -0.29 0.00 0.31 0.00 0.00 61.69 62.17 1y9x s THR 7 Cb 0.07 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 1y9x s THR 7 CO 0.09 -0.45 1.41 -2.16 -0.69 0.00 0.00 174.62 172.81 1y9x s PRO 8 N 2.75 4.22 -0.12 4.92 0.04 -1.26 -5.01 135.00 140.54 1y9x s PRO 8 Ca 0.23 1.86 -0.09 0.00 0.04 0.00 0.00 61.00 63.04 1y9x s PRO 8 Cb -0.14 -3.83 -0.04 0.00 0.04 0.00 0.00 34.50 30.52 1y9x s PRO 8 CO 0.17 -0.75 0.19 -1.12 0.04 0.00 0.00 177.00 175.54 1y9x s SER 9 N 2.45 6.43 0.00 6.66 0.01 -1.26 -4.97 113.70 123.01 1y9x s SER 9 Ca 0.62 0.51 0.09 0.00 1.31 0.00 0.00 55.95 58.47 1y9x s SER 9 Cb -0.26 -2.11 0.23 0.00 0.21 0.00 0.00 66.02 64.09 1y9x s SER 9 CO 0.21 0.33 1.17 -0.46 0.41 0.00 0.00 173.24 174.89 1y9x n ASN 10 N 2.38 2.66 -4.58 2.44 0.23 -1.26 -4.95 115.26 112.17 1y9x n ASN 10 Ca -0.18 -1.94 -0.40 0.00 -0.53 0.00 0.00 54.58 51.53 1y9x n ASN 10 Cb 0.54 -0.17 -0.09 0.00 -2.08 0.00 0.00 39.78 37.98 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 -0.98 5.12 -0.11 3.53 1.01 -1.26 -3.08 120.40 124.64 1y9x s VAL 11 Ca 0.18 0.42 -0.02 0.00 0.00 0.00 0.00 61.98 62.56 1y9x s VAL 11 Cb 0.10 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1y9x s VAL 11 CO 0.13 -0.01 -0.02 0.68 0.00 0.00 0.00 175.10 175.88 1y9x s VAL 12 N 2.17 4.12 -0.42 2.92 -7.23 -1.00 -4.99 120.40 115.96 1y9x s VAL 12 Ca 0.16 -0.31 -0.10 0.00 -1.81 0.00 0.00 61.98 59.93 1y9x s VAL 12 Cb -0.16 -2.75 0.08 0.00 0.56 0.00 0.00 36.38 34.11 1y9x s VAL 12 CO 0.11 0.56 0.27 -0.76 -0.31 0.00 0.00 175.10 174.98 1y9x s LEU 13 N -0.45 5.20 -0.54 1.32 2.01 -1.26 -1.04 118.68 123.92 1y9x s LEU 13 Ca 0.08 -1.50 -0.29 0.00 0.01 0.00 0.00 54.13 52.43 1y9x s LEU 13 Cb -0.12 -2.00 0.03 0.00 0.01 0.00 0.00 46.19 44.11 1y9x s LEU 13 CO 0.02 -0.55 1.18 -0.63 1.01 0.00 0.00 176.35 177.38 1y9x s ILE 14 N 1.44 4.08 0.00 -0.59 1.01 -0.97 -4.59 121.20 121.58 1y9x s ILE 14 Ca 0.03 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.71 1y9x s ILE 14 Cb -0.23 -4.67 0.00 0.00 0.01 0.00 0.00 42.46 37.57 1y9x s ILE 14 CO 0.02 -1.21 0.00 0.61 0.00 0.00 0.00 174.94 174.37 1y9x n GLY 15 N 4.98 0.00 2.00 6.18 0.00 -1.26 -4.48 105.19 112.62 1y9x n GLY 15 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.78 1.61 5.02 -1.26 -5.15 118.16 114.60 1y9x n LYS 16 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1y9x n LYS 16 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 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 3.49 0.76 1.97 1.02 -1.26 -5.09 119.74 118.63 1y9x s LYS 17 Ca 0.00 -0.44 -0.13 0.00 0.02 0.00 0.00 55.97 55.42 1y9x s LYS 17 Cb 0.00 -2.88 0.05 0.00 -0.52 0.00 0.00 37.83 34.48 1y9x s LYS 17 CO 0.00 0.44 1.16 -2.14 -0.92 0.00 0.00 175.35 173.89 1y9x s PRO 18 N -3.32 2.08 0.27 -1.68 0.02 -1.26 -4.94 135.00 126.16 1y9x s PRO 18 Ca 0.37 1.55 -0.01 0.00 0.02 0.00 0.00 61.00 62.93 1y9x s PRO 18 Cb -0.11 -1.85 0.52 0.00 0.02 0.00 0.00 34.50 33.09 1y9x s PRO 18 CO 0.29 -1.84 1.79 -0.24 -0.33 0.00 0.00 177.00 176.67 1y9x h VAL 19 N -0.66 0.81 0.00 3.83 3.04 -1.98 -1.09 116.25 120.20 1y9x h VAL 19 Ca -0.46 -0.26 -0.02 0.00 -1.01 0.00 0.00 66.70 64.96 1y9x h VAL 19 Cb 1.27 -0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 30.54 1y9x h VAL 19 CO 0.49 0.14 -0.07 0.00 -1.01 0.00 0.00 177.57 177.12 1y9x h MET 20 N 0.76 0.00 0.00 4.17 -0.00 -1.99 -0.73 114.93 117.14 1y9x h MET 20 Ca 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 60.13 1y9x h MET 20 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.17 1y9x h MET 20 CO -0.32 0.07 -0.15 -0.91 -0.00 0.00 0.00 176.91 175.61 1y9x h ASN 21 N 0.00 0.00 0.35 -0.10 4.21 -1.56 -1.99 115.58 116.50 1y9x h ASN 21 Ca -0.00 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.19 1y9x h ASN 21 Cb 0.20 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.38 1y9x h ASN 21 CO 0.01 0.15 -1.74 1.88 -1.29 0.00 0.00 177.43 176.44 1y9x h TYR 22 N 0.00 0.33 0.04 1.19 0.05 -1.19 -3.17 116.97 114.23 1y9x h TYR 22 Ca -0.00 -0.24 0.00 0.00 0.05 0.00 0.00 58.73 58.54 1y9x h TYR 22 Cb 0.92 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.64 1y9x h TYR 22 CO 0.00 1.41 -0.04 0.28 -1.05 0.00 0.00 178.16 178.76 1y9x h VAL 23 N 0.05 0.91 0.00 -2.88 2.07 -1.24 -0.38 116.25 114.79 1y9x h VAL 23 Ca -0.32 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1y9x h VAL 23 Cb 2.02 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 1y9x h VAL 23 CO 0.11 0.00 -0.23 -0.07 0.02 0.00 0.00 177.57 177.40 1y9x h LEU 24 N -0.09 0.00 -0.07 2.57 3.38 -1.52 -2.09 115.31 117.49 1y9x h LEU 24 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1y9x h LEU 24 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1y9x h LEU 24 CO -0.01 0.23 -0.08 0.00 0.09 0.00 0.00 178.44 178.67 1y9x h ALA 25 N 1.77 0.10 -0.64 1.53 0.00 -1.40 -2.21 119.26 118.41 1y9x h ALA 25 Ca -0.00 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1y9x h ALA 25 Cb 0.43 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1y9x h ALA 25 CO 0.03 -0.07 0.40 0.00 0.00 0.00 0.00 179.25 179.61 1y9x h ALA 26 N 0.54 0.83 -0.04 0.00 0.00 -0.73 0.20 119.26 120.05 1y9x h ALA 26 Ca 0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1y9x h ALA 26 Cb 0.61 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1y9x h ALA 26 CO 0.02 0.17 -0.23 -0.07 0.00 0.00 0.00 179.25 179.13 1y9x h LEU 27 N 0.79 0.07 0.14 0.00 3.38 -1.40 -1.07 115.31 117.22 1y9x h LEU 27 Ca 0.25 -0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.97 1y9x h LEU 27 Cb -0.00 -0.02 0.03 0.00 0.09 0.00 0.00 40.66 40.76 1y9x h LEU 27 CO -0.09 0.30 -1.02 0.74 0.09 0.00 0.00 178.44 178.46 1y9x h THR 28 N 0.06 1.40 -0.14 0.22 2.02 -0.63 -3.21 112.91 112.64 1y9x h THR 28 Ca 0.01 -2.48 -0.03 0.00 0.77 0.00 0.00 66.41 64.68 1y9x h THR 28 Cb 0.45 2.97 -0.01 0.00 -1.74 0.00 0.00 68.15 69.82 1y9x h THR 28 CO 0.03 0.73 -0.05 -0.07 0.37 0.00 0.00 175.52 176.53 1y9x h LEU 29 N -0.08 0.19 -0.46 2.58 3.38 -0.39 -1.74 115.31 118.78 1y9x h LEU 29 Ca -0.17 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1y9x h LEU 29 Cb 1.77 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.44 1y9x h LEU 29 CO 0.19 0.28 0.28 0.25 0.09 0.00 0.00 178.44 179.53 1y9x h LEU 30 N 0.21 0.56 -1.33 1.67 7.12 -1.22 0.06 115.31 122.37 1y9x h LEU 30 Ca 0.05 -0.06 -0.05 0.00 0.13 0.00 0.00 57.88 57.94 1y9x h LEU 30 Cb 0.23 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.21 1y9x h LEU 30 CO 0.01 0.46 -0.25 -1.13 -0.13 0.00 0.00 178.44 177.39 1y9x h ASN 31 N 0.61 0.00 0.36 1.25 -1.24 -1.34 -1.74 115.58 113.49 1y9x h ASN 31 Ca 0.17 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.18 1y9x h ASN 31 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1y9x h ASN 31 CO -0.03 0.25 -0.00 0.00 -1.29 0.00 0.00 177.43 176.36 1y9x n GLN 32 N -3.60 0.64 0.00 6.67 1.13 -0.78 -4.87 117.38 116.56 1y9x n GLN 32 Ca -0.01 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1y9x n GLN 32 Cb 0.39 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.24 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 1.18 0.60 3.49 1.08 0.00 -0.65 -5.04 105.19 105.85 1y9x n GLY 33 Ca 0.18 0.00 -0.42 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 4.20 -2.92 1.61 1.01 -0.06 -4.81 120.40 117.43 1y9x s VAL 34 Ca 0.00 -0.42 0.25 0.00 0.00 0.00 0.00 61.98 61.80 1y9x s VAL 34 Cb 0.00 -4.80 0.25 0.00 0.00 0.00 0.00 36.38 31.83 1y9x s VAL 34 CO 0.00 -1.62 1.34 -1.20 0.00 0.00 0.00 175.10 173.62 1y9x n SER 35 N 8.06 2.76 -3.75 3.32 7.64 -1.26 -3.43 113.62 126.96 1y9x n SER 35 Ca 0.07 -1.92 -0.25 0.00 1.01 0.00 0.00 58.87 57.78 1y9x n SER 35 Cb 0.48 -0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.50 1y9x n SER 35 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1y9x s GLU 36 N -2.00 0.60 0.12 1.43 2.12 -1.26 -0.48 118.70 119.22 1y9x s GLU 36 Ca 0.30 -0.13 0.05 0.00 0.36 0.00 0.00 54.97 55.55 1y9x s GLU 36 Cb 0.20 -1.51 -0.04 0.00 0.26 0.00 0.00 34.13 33.04 1y9x s GLU 36 CO 0.31 -0.47 -0.12 0.96 -0.54 0.00 0.00 175.26 175.39 1y9x s ILE 37 N 1.93 1.19 -0.12 -3.70 -0.00 -1.00 -5.00 121.20 114.51 1y9x s ILE 37 Ca 0.02 -1.72 0.01 0.00 -0.00 0.00 0.00 60.65 58.96 1y9x s ILE 37 Cb -0.15 -1.50 0.02 0.00 -0.00 0.00 0.00 42.46 40.83 1y9x s ILE 37 CO -0.07 -0.49 -0.13 -0.69 -0.00 0.00 0.00 174.94 173.56 1y9x s VAL 38 N -2.34 1.39 -0.17 8.37 1.01 -1.18 -2.33 120.40 125.15 1y9x s VAL 38 Ca 0.08 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 1y9x s VAL 38 Cb -0.04 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1y9x s VAL 38 CO 0.02 0.42 0.10 -0.63 0.00 0.00 0.00 175.10 175.02 1y9x s ILE 39 N 1.27 5.17 -0.15 2.22 1.01 0.33 -2.37 121.20 128.68 1y9x s ILE 39 Ca -0.01 0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.75 1y9x s ILE 39 Cb -0.14 -3.32 0.02 0.00 0.01 0.00 0.00 42.46 39.03 1y9x s ILE 39 CO -0.05 0.49 -0.19 -0.54 0.00 0.00 0.00 174.94 174.65 1y9x s LYS 40 N 0.01 2.77 0.06 2.79 1.02 -0.20 -1.39 119.74 124.80 1y9x s LYS 40 Ca 0.08 -0.75 0.06 0.00 0.02 0.00 0.00 55.97 55.38 1y9x s LYS 40 Cb -0.12 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.81 1y9x s LYS 40 CO 0.00 -0.14 -0.16 0.00 -0.92 0.00 0.00 175.35 174.13 1y9x s ALA 41 N 1.15 1.36 0.09 5.17 0.00 -1.02 -2.29 121.76 126.22 1y9x s ALA 41 Ca 0.00 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.03 1y9x s ALA 41 Cb -0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1y9x s ALA 41 CO -0.08 0.25 -0.13 1.03 0.00 0.00 0.00 175.76 176.83 1y9x s ARG 42 N -1.47 0.86 7.45 0.00 3.00 -1.26 -1.33 118.95 126.20 1y9x s ARG 42 Ca 0.02 -1.05 0.00 0.00 0.00 0.00 0.00 55.73 54.70 1y9x s ARG 42 Cb -0.09 -0.77 0.00 0.00 0.00 0.00 0.00 34.95 34.09 1y9x s ARG 42 CO 0.02 0.16 0.00 0.41 0.00 0.00 0.00 175.30 175.89 1y9x n GLY 43 N 0.98 2.35 0.68 -3.53 0.00 0.15 -2.33 105.19 103.50 1y9x n GLY 43 Ca -0.19 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 12.71 1.91 0.00 1.61 1.85 -1.26 -3.87 116.66 129.60 1y9x n ARG 44 Ca 0.00 -1.35 0.12 0.00 -1.00 0.00 0.00 57.85 55.62 1y9x n ARG 44 Cb 0.00 -1.45 0.58 0.00 -1.05 0.00 0.00 32.46 30.54 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 0.60 2.19 -0.34 2.89 0.00 -0.98 -3.40 120.51 121.47 1y9x n ALA 45 Ca 0.17 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.55 1y9x n ALA 45 Cb 0.42 -1.40 0.19 0.00 0.00 0.00 0.00 19.45 18.66 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 0.98 -0.27 0.00 2.04 -1.77 -0.96 117.51 117.52 1y9x h ILE 46 Ca 0.00 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 1y9x h ILE 46 Cb 0.32 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 1y9x h ILE 46 CO 0.00 0.18 0.01 -1.28 0.00 0.00 0.00 178.15 177.06 1y9x h SER 47 N 1.00 0.38 0.27 1.72 0.87 -1.89 -2.13 113.55 113.76 1y9x h SER 47 Ca 0.44 -0.06 -0.21 0.00 -1.23 0.00 0.00 61.79 60.73 1y9x h SER 47 Cb 0.33 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1y9x h SER 47 CO -0.22 0.43 -0.85 0.11 -0.53 0.00 0.00 176.83 175.77 1y9x h LYS 48 N 0.40 0.44 -0.41 2.24 1.57 -1.43 -2.40 116.57 116.98 1y9x h LYS 48 Ca 0.09 -0.42 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1y9x h LYS 48 Cb 0.25 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1y9x h LYS 48 CO 0.01 1.07 0.20 0.00 -0.57 0.00 0.00 179.45 180.15 1y9x h ALA 49 N 0.80 0.53 -0.04 3.86 0.00 -0.75 -0.41 119.26 123.25 1y9x h ALA 49 Ca -0.06 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1y9x h ALA 49 Cb 1.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1y9x h ALA 49 CO 0.15 0.09 -0.74 -0.24 0.00 0.00 0.00 179.25 178.51 1y9x h VAL 50 N 0.52 1.43 -0.56 0.00 3.04 -1.51 -2.96 116.25 116.21 1y9x h VAL 50 Ca 0.14 -2.26 -0.09 0.00 -1.01 0.00 0.00 66.70 63.48 1y9x h VAL 50 Cb 0.12 2.21 -0.02 0.00 -2.01 0.00 0.00 31.29 31.59 1y9x h VAL 50 CO -0.02 0.67 -0.00 -0.78 -1.01 0.00 0.00 177.57 176.43 1y9x h ASP 51 N 0.17 0.98 -0.43 3.17 3.58 -1.20 -1.62 116.42 121.06 1y9x h ASP 51 Ca -0.03 -0.31 0.04 0.00 0.42 0.00 0.00 57.03 57.15 1y9x h ASP 51 Cb 1.30 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 42.05 1y9x h ASP 51 CO 0.12 1.05 0.21 0.74 -2.88 0.00 0.00 179.24 178.47 1y9x h THR 52 N 0.88 0.95 -0.19 2.25 2.02 -1.00 -2.06 112.91 115.77 1y9x h THR 52 Ca 0.16 -0.14 -0.17 0.00 0.77 0.00 0.00 66.41 67.03 1y9x h THR 52 Cb 0.55 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1y9x h THR 52 CO 0.03 0.08 -0.56 -0.37 0.37 0.00 0.00 175.52 175.06 1y9x h VAL 53 N 0.42 1.32 -0.54 3.16 -1.51 -1.34 -2.70 116.25 115.07 1y9x h VAL 53 Ca 0.19 -1.81 0.06 0.00 -1.23 0.00 0.00 66.70 63.91 1y9x h VAL 53 Cb 0.11 1.77 -0.05 0.00 -2.13 0.00 0.00 31.29 30.99 1y9x h VAL 53 CO -0.14 0.56 0.24 -0.33 -1.23 0.00 0.00 177.57 176.67 1y9x h GLU 54 N 0.46 0.45 -0.01 5.19 4.39 -1.04 -2.08 114.58 121.93 1y9x h GLU 54 Ca 0.01 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.69 1y9x h GLU 54 Cb 1.12 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 1y9x h GLU 54 CO 0.11 0.30 -0.03 0.82 -1.16 0.00 0.00 179.01 179.05 1y9x h ILE 55 N 0.46 0.92 -0.32 3.13 2.04 -1.23 -2.25 117.51 120.26 1y9x h ILE 55 Ca 0.25 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.10 1y9x h ILE 55 Cb 0.21 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1y9x h ILE 55 CO -0.21 0.00 0.17 0.58 0.00 0.00 0.00 178.15 178.69 1y9x h VAL 56 N -0.05 1.14 -0.00 1.67 2.07 -1.25 -0.98 116.25 118.86 1y9x h VAL 56 Ca 0.02 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1y9x h VAL 56 Cb 0.07 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1y9x h VAL 56 CO -0.04 0.14 -0.00 -2.11 0.02 0.00 0.00 177.57 175.58 1y9x n ARG 57 N -4.78 0.46 -0.04 1.57 1.85 -0.80 -2.02 116.66 112.89 1y9x n ARG 57 Ca -0.01 -0.01 0.01 0.00 -1.00 0.00 0.00 57.85 56.84 1y9x n ARG 57 Cb 0.09 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.02 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 -1.26 1.48 0.00 2.89 4.13 -0.85 -3.73 115.26 117.92 1y9x n ASN 58 Ca 0.15 -1.93 0.00 0.00 1.68 0.00 0.00 54.58 54.48 1y9x n ASN 58 Cb 0.24 -0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 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 -0.49 0.00 0.05 3.52 0.63 -0.39 -4.95 116.66 115.02 1y9x n ARG 59 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1y9x n ARG 59 Cb 0.39 -0.85 0.00 0.00 0.45 0.00 0.00 32.46 32.45 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 -2.43 -0.37 -2.73 -0.14 7.35 -1.00 -4.87 117.46 113.27 1y9x n PHE 60 Ca 0.00 0.07 -0.43 0.00 -0.76 0.00 0.00 57.45 56.32 1y9x n PHE 60 Cb 0.42 0.11 0.00 0.00 0.35 0.00 0.00 39.48 40.36 1y9x n PHE 60 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1y9x n LEU 61 N -3.36 5.70 -1.81 -2.13 4.77 -0.86 -4.68 117.00 114.63 1y9x n LEU 61 Ca 0.00 -4.51 0.08 0.00 -0.03 0.00 0.00 56.01 51.55 1y9x n LEU 61 Cb 0.10 -1.58 0.39 0.00 -2.33 0.00 0.00 43.42 40.01 1y9x n LEU 61 CO 0.00 0.93 0.86 0.00 -1.33 0.00 0.00 177.39 177.85 1y9x n ALA 62 N 5.13 3.64 0.19 -1.18 0.00 -1.24 -4.27 120.51 122.76 1y9x n ALA 62 Ca 0.38 -1.82 0.00 0.00 0.00 0.00 0.00 53.44 52.00 1y9x n ALA 62 Cb 0.41 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 0.81 -2.20 -4.41 0.00 2.03 -1.26 -5.01 116.55 106.51 1y9x n ASP 63 Ca 0.27 0.71 -0.44 0.00 0.52 0.00 0.00 54.79 55.84 1y9x n ASP 63 Cb 1.11 2.16 -0.00 0.00 -0.72 0.00 0.00 41.12 43.67 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 -2.00 4.11 -0.14 -0.67 1.02 -1.26 -4.89 119.74 115.91 1y9x s LYS 64 Ca 0.00 -2.81 -0.27 0.00 0.02 0.00 0.00 55.97 52.91 1y9x s LYS 64 Cb 0.00 -4.84 0.07 0.00 -0.52 0.00 0.00 37.83 32.54 1y9x s LYS 64 CO 0.00 -1.54 0.67 -1.50 -0.92 0.00 0.00 175.35 172.06 1y9x s ILE 65 N 0.43 0.00 0.17 2.17 1.10 -1.26 -2.85 121.20 120.96 1y9x s ILE 65 Ca 0.37 -0.02 -0.02 0.00 -0.51 0.00 0.00 60.65 60.46 1y9x s ILE 65 Cb -0.06 -0.97 -0.04 0.00 0.15 0.00 0.00 42.46 41.55 1y9x s ILE 65 CO -0.04 -0.01 0.14 -1.83 -2.11 0.00 0.00 174.94 171.09 1y9x s GLU 66 N -0.51 1.12 -0.20 3.50 -1.05 0.13 -4.75 118.70 116.94 1y9x s GLU 66 Ca -0.06 -1.50 -0.08 0.00 -0.15 0.00 0.00 54.97 53.18 1y9x s GLU 66 Cb -0.02 0.28 -0.04 0.00 -0.44 0.00 0.00 34.13 33.91 1y9x s GLU 66 CO 0.06 -0.36 0.09 0.42 0.95 0.00 0.00 175.26 176.41 1y9x s ILE 67 N -4.09 4.94 -0.10 1.83 1.01 -1.26 -1.11 121.20 122.42 1y9x s ILE 67 Ca 0.31 0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.89 1y9x s ILE 67 Cb 0.06 -3.25 -0.07 0.00 0.01 0.00 0.00 42.46 39.21 1y9x s ILE 67 CO 0.07 0.43 0.28 0.50 0.00 0.00 0.00 174.94 176.22 1y9x h LYS 68 N 6.96 -0.06 -1.15 2.79 3.11 -1.49 -3.45 116.57 123.28 1y9x h LYS 68 Ca -0.38 0.00 0.20 0.00 -2.81 0.00 0.00 60.65 57.67 1y9x h LYS 68 Cb 1.17 0.01 -0.28 0.00 -1.00 0.00 0.00 32.23 32.13 1y9x h LYS 68 CO 0.69 0.20 0.86 -2.00 -2.81 0.00 0.00 179.45 176.40 1y9x s GLU 69 N -1.97 0.15 -0.06 1.90 2.12 -0.94 -5.01 118.70 114.89 1y9x s GLU 69 Ca -0.06 0.07 0.02 0.00 0.36 0.00 0.00 54.97 55.36 1y9x s GLU 69 Cb -0.01 0.07 0.02 0.00 0.26 0.00 0.00 34.13 34.47 1y9x s GLU 69 CO 0.20 -0.04 -0.10 0.96 -0.54 0.00 0.00 175.26 175.75 1y9x s ILE 70 N -0.69 0.94 0.01 -3.70 -4.36 -1.26 -1.50 121.20 110.64 1y9x s ILE 70 Ca 0.07 -0.36 0.02 0.00 -0.26 0.00 0.00 60.65 60.12 1y9x s ILE 70 Cb -0.02 -0.89 -0.01 0.00 1.25 0.00 0.00 42.46 42.79 1y9x s ILE 70 CO -0.09 0.31 -0.06 -0.13 0.24 0.00 0.00 174.94 175.21 1y9x s ARG 71 N 0.77 0.46 0.01 0.37 0.52 -0.32 -5.03 118.95 115.73 1y9x s ARG 71 Ca -0.13 -0.40 0.01 0.00 -0.52 0.00 0.00 55.73 54.69 1y9x s ARG 71 Cb -0.15 -0.37 -0.01 0.00 0.52 0.00 0.00 34.95 34.94 1y9x s ARG 71 CO 0.02 0.09 -0.04 0.54 0.02 0.00 0.00 175.30 175.93 1y9x s VAL 72 N -0.59 0.30 0.00 3.52 0.11 -1.26 -0.43 120.40 122.05 1y9x s VAL 72 Ca -0.02 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 1y9x s VAL 72 Cb -0.05 -0.30 0.00 0.00 -1.53 0.00 0.00 36.38 34.50 1y9x s VAL 72 CO 0.00 -0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.30 1y9x n GLY 73 N 2.55 1.45 2.85 6.54 0.00 0.18 -5.01 105.19 113.75 1y9x n GLY 73 Ca -0.16 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 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 2.00 0.28 -0.06 1.61 0.01 -1.26 -0.23 113.70 116.05 1y9x s SER 74 Ca 0.00 -0.02 -0.10 0.00 1.31 0.00 0.00 55.95 57.13 1y9x s SER 74 Cb 0.00 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 66.07 1y9x s SER 74 CO 0.00 -0.05 0.27 -1.58 0.41 0.00 0.00 173.24 172.29 1y9x s GLN 75 N 0.54 3.66 -0.40 12.44 0.74 0.19 -4.87 119.66 131.97 1y9x s GLN 75 Ca -0.05 0.12 -0.14 0.00 0.05 0.00 0.00 55.36 55.34 1y9x s GLN 75 Cb -0.08 -3.20 0.02 0.00 1.10 0.00 0.00 33.01 30.86 1y9x s GLN 75 CO -0.01 0.73 0.28 0.08 -0.55 0.00 0.00 175.29 175.82 1y9x s VAL 76 N -1.07 5.12 0.13 1.34 1.01 -1.26 -1.79 120.40 123.88 1y9x s VAL 76 Ca 0.20 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.56 1y9x s VAL 76 Cb -0.14 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1y9x s VAL 76 CO 0.09 -0.30 -0.17 0.68 0.00 0.00 0.00 175.10 175.40 1y9x s VAL 77 N 1.65 2.85 -0.16 2.92 -7.23 0.06 -4.90 120.40 115.60 1y9x s VAL 77 Ca 0.04 -1.55 -0.24 0.00 -1.81 0.00 0.00 61.98 58.42 1y9x s VAL 77 Cb -0.19 -2.32 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 1y9x s VAL 77 CO 0.09 0.06 0.77 0.42 -0.31 0.00 0.00 175.10 176.14 1y9x s THR 78 N -1.23 4.93 -0.22 5.32 -4.23 -1.26 -0.52 115.64 118.43 1y9x s THR 78 Ca 0.19 1.51 0.22 0.00 -1.18 0.00 0.00 61.69 62.43 1y9x s THR 78 Cb -0.10 -4.08 -0.07 0.00 1.34 0.00 0.00 72.50 69.58 1y9x s THR 78 CO 0.11 0.07 0.93 -1.20 -0.54 0.00 0.00 174.62 173.99 1y9x n SER 79 N 5.04 0.67 0.00 3.99 7.64 0.10 -4.88 113.62 126.17 1y9x n SER 79 Ca 0.03 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1y9x n SER 79 Cb 0.49 0.77 0.00 0.00 -1.01 0.00 0.00 64.21 64.46 1y9x n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y9x n GLN 80 N -2.55 0.00 0.00 1.43 1.13 -1.25 -5.04 117.38 111.10 1y9x n GLN 80 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1y9x n GLN 80 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.90 1y9x n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1y9x n ASP 81 N -0.71 0.00 -0.00 1.08 2.03 -1.26 -4.92 116.55 112.77 1y9x n ASP 81 Ca 0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 1y9x n ASP 81 Cb 0.00 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.26 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 1.92 -1.01 3.60 0.27 0.00 -1.26 -4.89 105.19 103.82 1y9x n GLY 82 Ca 0.00 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 1y9x n GLY 82 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1y9x s ARG 83 N -3.32 3.33 0.27 1.61 3.52 -1.26 -4.97 118.95 118.14 1y9x s ARG 83 Ca -0.02 1.64 -0.08 0.00 -0.13 0.00 0.00 55.73 57.15 1y9x s ARG 83 Cb 0.15 -4.23 -0.06 0.00 -1.56 0.00 0.00 34.95 29.24 1y9x s ARG 83 CO 0.89 -1.87 0.57 -0.65 -0.81 0.00 0.00 175.30 173.44 1y9x s GLN 84 N 5.75 3.73 0.03 5.12 -0.21 -1.26 -0.72 119.66 132.09 1y9x s GLN 84 Ca 0.85 0.18 -0.03 0.00 0.02 0.00 0.00 55.36 56.39 1y9x s GLN 84 Cb -0.26 -2.62 -0.02 0.00 1.00 0.00 0.00 33.01 31.11 1y9x s GLN 84 CO 0.34 0.24 0.02 0.45 -2.12 0.00 0.00 175.29 174.23 1y9x s SER 85 N -2.76 0.23 -0.08 5.90 0.15 0.32 -4.86 113.70 112.60 1y9x s SER 85 Ca 0.46 -0.54 0.04 0.00 0.70 0.00 0.00 55.95 56.61 1y9x s SER 85 Cb -0.11 0.16 -0.00 0.00 -1.71 0.00 0.00 66.02 64.36 1y9x s SER 85 CO 0.26 -0.41 -0.23 -0.13 1.20 0.00 0.00 173.24 173.94 1y9x s ARG 86 N -2.10 2.69 -0.03 5.44 0.52 -1.26 -0.76 118.95 123.47 1y9x s ARG 86 Ca -0.10 -0.82 0.03 0.00 -0.52 0.00 0.00 55.73 54.32 1y9x s ARG 86 Cb -0.05 -2.12 0.00 0.00 0.52 0.00 0.00 34.95 33.31 1y9x s ARG 86 CO -0.03 0.22 -0.10 0.08 0.02 0.00 0.00 175.30 175.49 1y9x s VAL 87 N 0.23 0.85 0.07 3.52 1.01 -0.74 -4.94 120.40 120.40 1y9x s VAL 87 Ca -0.14 -0.41 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 1y9x s VAL 87 Cb -0.16 -0.75 -0.09 0.00 0.00 0.00 0.00 36.38 35.38 1y9x s VAL 87 CO 0.07 0.26 1.76 -0.44 0.00 0.00 0.00 175.10 176.75 1y9x s SER 88 N 0.14 6.52 0.04 3.32 0.01 -1.26 -0.63 113.70 121.84 1y9x s SER 88 Ca -0.02 2.59 0.05 0.00 1.31 0.00 0.00 55.95 59.87 1y9x s SER 88 Cb -0.08 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 1y9x s SER 88 CO 0.01 -0.95 -0.14 0.42 0.41 0.00 0.00 173.24 172.98 1y9x s THR 89 N 3.04 1.07 -0.00 1.44 -4.23 0.68 0.32 115.64 117.96 1y9x s THR 89 Ca 0.78 -1.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.27 1y9x s THR 89 Cb -0.42 -0.99 -0.00 0.00 1.34 0.00 0.00 72.50 72.43 1y9x s THR 89 CO 0.35 -0.05 -0.06 -0.51 -0.54 0.00 0.00 174.62 173.81 1y9x s ILE 90 N -0.93 0.45 -0.22 2.99 2.07 -0.44 -0.65 121.20 124.48 1y9x s ILE 90 Ca 0.00 -0.25 0.02 0.00 -1.41 0.00 0.00 60.65 59.01 1y9x s ILE 90 Cb -0.08 -0.38 0.04 0.00 0.13 0.00 0.00 42.46 42.16 1y9x s ILE 90 CO 0.01 0.12 -0.16 -1.61 -1.91 0.00 0.00 174.94 171.40 1y9x s GLU 91 N -0.15 2.63 -0.25 3.50 2.02 0.43 -2.42 118.70 124.47 1y9x s GLU 91 Ca 0.02 -1.06 -0.02 0.00 0.02 0.00 0.00 54.97 53.94 1y9x s GLU 91 Cb -0.02 -2.70 0.02 0.00 0.10 0.00 0.00 34.13 31.53 1y9x s GLU 91 CO -0.00 -0.37 -0.06 0.42 0.02 0.00 0.00 175.26 175.26 1y9x s ILE 92 N 1.21 2.89 -0.13 -1.63 1.01 -0.48 -1.18 121.20 122.89 1y9x s ILE 92 Ca -0.01 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.65 1y9x s ILE 92 Cb -0.16 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 1y9x s ILE 92 CO -0.09 0.21 -0.17 0.00 0.00 0.00 0.00 174.94 174.89 1y9x s ALA 93 N 1.33 2.44 0.13 9.38 0.00 -0.56 -0.51 121.76 133.97 1y9x s ALA 93 Ca 0.01 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1y9x s ALA 93 Cb -0.16 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1y9x s ALA 93 CO -0.04 0.15 -0.09 0.96 0.00 0.00 0.00 175.76 176.73 1y9x s ILE 94 N 0.53 1.03 0.00 0.00 -4.36 -0.98 -1.32 121.20 116.11 1y9x s ILE 94 Ca -0.11 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.26 1y9x s ILE 94 Cb -0.16 -1.78 -0.01 0.00 1.25 0.00 0.00 42.46 41.76 1y9x s ILE 94 CO 0.04 -0.77 0.02 -0.60 0.24 0.00 0.00 174.94 173.87 1y9x s ARG 95 N -3.71 0.21 0.09 0.37 3.52 -0.27 -2.37 118.95 116.79 1y9x s ARG 95 Ca 0.15 -0.30 -0.18 0.00 -0.13 0.00 0.00 55.73 55.28 1y9x s ARG 95 Cb 0.03 0.08 -0.07 0.00 -1.56 0.00 0.00 34.95 33.43 1y9x s ARG 95 CO -0.01 -0.04 0.56 0.21 -0.81 0.00 0.00 175.30 175.21 1y9x s LYS 96 N -0.80 4.12 0.00 5.12 2.36 0.36 0.18 119.74 131.09 1y9x s LYS 96 Ca -0.09 0.65 0.29 0.00 -2.55 0.00 0.00 55.97 54.28 1y9x s LYS 96 Cb -0.05 -3.14 1.32 0.00 -1.05 0.00 0.00 37.83 34.91 1y9x s LYS 96 CO -0.00 0.59 1.90 1.63 1.55 0.00 0.00 175.35 181.02