#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2noc s LYS 2 N 0.00 0.98 0.30 3.17 -0.14 -1.26 -5.15 119.74 117.64 2noc s LYS 2 Ca 0.00 -0.11 0.03 0.00 -1.36 0.00 0.00 55.97 54.52 2noc s LYS 2 Cb 0.00 -1.04 -0.05 0.00 -1.68 0.00 0.00 37.83 35.05 2noc s LYS 2 CO 0.00 -0.14 0.08 0.95 -0.76 0.00 0.00 175.35 175.48 2noc s THR 3 N 1.23 0.83 0.00 2.17 -4.23 -1.26 -4.91 115.64 109.47 2noc s THR 3 Ca -0.06 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 2noc s THR 3 Cb -0.14 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.01 2noc s THR 3 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 2noc n GLY 4 N -0.59 1.33 2.69 3.99 0.00 -1.26 -5.08 105.19 106.27 2noc n GLY 4 Ca -0.01 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 2noc n GLY 4 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2noc s TYR 5 N -2.00 -0.04 -0.34 1.61 1.13 -1.26 -5.06 117.35 111.39 2noc s TYR 5 Ca 0.00 0.03 -0.05 0.00 -1.41 0.00 0.00 57.07 55.64 2noc s TYR 5 Cb 0.00 -0.50 0.19 0.00 -1.10 0.00 0.00 41.96 40.54 2noc s TYR 5 CO 0.00 -0.51 0.95 0.21 -2.51 0.00 0.00 175.55 173.69 2noc s LYS 6 N 2.23 0.33 0.09 -3.49 2.20 -1.26 -5.17 119.74 114.67 2noc s LYS 6 Ca 0.04 -0.09 0.05 0.00 -0.36 0.00 0.00 55.97 55.61 2noc s LYS 6 Cb -0.15 0.04 -0.03 0.00 -1.51 0.00 0.00 37.83 36.18 2noc s LYS 6 CO -0.10 -0.48 -0.13 0.14 -0.36 0.00 0.00 175.35 174.42 2noc s VAL 7 N 1.97 1.12 -0.25 4.02 -7.23 -1.26 -5.13 120.40 113.64 2noc s VAL 7 Ca 0.15 -1.48 -0.02 0.00 -1.81 0.00 0.00 61.98 58.81 2noc s VAL 7 Cb 0.01 -1.24 0.08 0.00 0.56 0.00 0.00 36.38 35.79 2noc s VAL 7 CO -0.13 -0.35 0.07 -0.32 -0.31 0.00 0.00 175.10 174.06 2noc s MET 8 N -2.22 0.60 -0.35 4.82 0.00 -1.26 -5.09 119.30 115.80 2noc s MET 8 Ca 0.02 -0.67 -0.03 0.00 0.00 0.00 0.00 55.69 55.01 2noc s MET 8 Cb -0.07 -1.91 0.07 0.00 0.00 0.00 0.00 34.83 32.92 2noc s MET 8 CO 0.02 -0.83 0.10 -1.17 0.00 0.00 0.00 175.02 173.15 2noc s LEU 9 N 1.81 4.54 0.00 4.11 2.96 -1.26 -4.96 118.68 125.88 2noc s LEU 9 Ca 0.04 -1.57 0.00 0.00 -0.22 0.00 0.00 54.13 52.39 2noc s LEU 9 Cb -0.17 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.73 2noc s LEU 9 CO -0.19 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.06 2noc n GLY 10 N 4.64 -0.20 2.86 7.98 0.00 -1.26 -5.14 105.19 114.08 2noc n GLY 10 Ca -0.08 0.59 -0.12 0.00 0.00 0.00 0.00 46.02 46.41 2noc n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2noc s ALA 11 N 0.00 -0.97 -0.11 4.61 0.00 -1.26 -5.12 121.76 118.92 2noc s ALA 11 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.92 2noc s ALA 11 Cb 0.00 -2.01 0.05 0.00 0.00 0.00 0.00 23.12 21.15 2noc s ALA 11 CO 0.00 -1.77 0.07 -0.51 0.00 0.00 0.00 175.76 173.55 2noc s LEU 12 N 2.42 0.26 -0.14 0.00 1.43 -1.26 -5.12 118.68 116.28 2noc s LEU 12 Ca 0.10 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 52.89 2noc s LEU 12 Cb -0.13 -0.20 0.06 0.00 0.03 0.00 0.00 46.19 45.95 2noc s LEU 12 CO -0.29 -0.30 0.13 0.00 0.23 0.00 0.00 176.35 176.12 2noc s ALA 13 N 2.15 0.12 -0.21 4.21 0.00 -1.26 -5.12 121.76 121.65 2noc s ALA 13 Ca 0.03 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.08 2noc s ALA 13 Cb -0.14 -0.99 0.04 0.00 0.00 0.00 0.00 23.12 22.03 2noc s ALA 13 CO -0.06 -0.95 -0.14 -0.06 0.00 0.00 0.00 175.76 174.55 2noc s PHE 14 N 2.22 2.84 -0.07 0.00 0.08 -1.26 -5.12 117.98 116.67 2noc s PHE 14 Ca 0.04 -1.88 0.00 0.00 0.12 0.00 0.00 56.93 55.21 2noc s PHE 14 Cb -0.15 -1.84 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 2noc s PHE 14 CO -0.08 -0.81 -0.07 0.14 -0.10 0.00 0.00 175.22 174.30 2noc s VAL 15 N 1.25 3.73 0.13 -0.44 -7.23 -1.26 -5.12 120.40 111.47 2noc s VAL 15 Ca -0.02 -0.47 -0.00 0.00 -1.81 0.00 0.00 61.98 59.68 2noc s VAL 15 Cb -0.17 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 2noc s VAL 15 CO -0.09 0.59 0.03 0.68 -0.31 0.00 0.00 175.10 176.01 2noc s VAL 16 N -0.74 0.24 0.00 1.32 -7.23 -1.26 -5.12 120.40 107.61 2noc s VAL 16 Ca 0.11 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 2noc s VAL 16 Cb -0.11 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.84 2noc s VAL 16 CO 0.02 -0.54 0.00 0.35 -0.31 0.00 0.00 175.10 174.62 2noc n THR 17 N -0.10 0.00 -2.56 5.32 -2.24 -1.26 -5.03 114.28 108.41 2noc n THR 17 Ca -0.07 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.52 2noc n THR 17 Cb 0.63 -0.64 0.01 0.00 -2.10 0.00 0.00 70.33 68.23 2noc n THR 17 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2noc n ASN 18 N -1.62 -5.43 -4.68 3.42 3.02 -1.26 -4.97 115.26 103.74 2noc n ASN 18 Ca 0.00 -0.10 -0.39 0.00 -0.03 0.00 0.00 54.58 54.06 2noc n ASN 18 Cb 0.00 -4.41 -0.06 0.00 -0.61 0.00 0.00 39.78 34.70 2noc n ASN 18 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2noc s VAL 19 N -2.99 5.11 -0.00 2.41 -7.23 -1.26 -5.05 120.40 111.39 2noc s VAL 19 Ca 0.10 1.03 0.00 0.00 -1.81 0.00 0.00 61.98 61.30 2noc s VAL 19 Cb -0.04 -3.87 0.00 0.00 0.56 0.00 0.00 36.38 33.03 2noc s VAL 19 CO 0.12 0.21 -0.01 -0.31 -0.31 0.00 0.00 175.10 174.81 2noc s TYR 20 N 1.34 0.06 -0.28 2.82 2.02 -1.26 -5.12 117.35 116.92 2noc s TYR 20 Ca 0.26 -0.01 -0.02 0.00 -0.37 0.00 0.00 57.07 56.94 2noc s TYR 20 Cb -0.16 -0.05 0.17 0.00 -0.40 0.00 0.00 41.96 41.53 2noc s TYR 20 CO 0.10 -0.00 0.54 0.00 -1.57 0.00 0.00 175.55 174.62 2noc s ALA 21 N 0.02 -1.94 -0.38 3.71 0.00 -1.26 -5.12 121.76 116.79 2noc s ALA 21 Ca -0.00 1.62 -0.20 0.00 0.00 0.00 0.00 51.96 53.38 2noc s ALA 21 Cb -0.01 -2.02 0.01 0.00 0.00 0.00 0.00 23.12 21.10 2noc s ALA 21 CO -0.00 -1.29 0.60 0.00 0.00 0.00 0.00 175.76 175.07 2noc s ALA 22 N 2.78 3.43 0.32 0.00 0.00 -1.23 -4.34 121.76 122.72 2noc s ALA 22 Ca 0.18 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 51.22 2noc s ALA 22 Cb -0.15 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 2noc s ALA 22 CO -0.19 -1.44 0.11 -1.21 0.00 0.00 0.00 175.76 173.03 2noc s GLU 23 N 2.65 2.35 -0.05 0.00 2.02 0.59 -4.89 118.70 121.37 2noc s GLU 23 Ca 0.22 -1.53 -0.12 0.00 0.02 0.00 0.00 54.97 53.56 2noc s GLU 23 Cb -0.15 -2.16 -0.05 0.00 0.10 0.00 0.00 34.13 31.87 2noc s GLU 23 CO 0.16 0.16 0.31 0.42 0.02 0.00 0.00 175.26 176.33 2noc s ILE 24 N -2.41 5.20 0.08 -1.63 -1.09 -1.26 -0.84 121.20 119.26 2noc s ILE 24 Ca 0.36 0.62 0.02 0.00 -2.23 0.00 0.00 60.65 59.42 2noc s ILE 24 Cb -0.03 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 2noc s ILE 24 CO 0.22 0.58 -0.08 -0.04 -1.23 0.00 0.00 174.94 174.39 2noc s MET 25 N -0.96 0.76 0.49 2.79 -1.94 -1.26 -4.98 119.30 114.21 2noc s MET 25 Ca 0.20 -1.15 -0.08 0.00 -1.71 0.00 0.00 55.69 52.95 2noc s MET 25 Cb -0.15 -0.30 0.11 0.00 2.01 0.00 0.00 34.83 36.51 2noc s MET 25 CO 0.10 0.02 0.63 1.63 -0.01 0.00 0.00 175.02 177.39 2noc n LYS 26 N 0.47 -0.81 0.07 2.03 5.02 -1.26 -4.83 118.16 118.85 2noc n LYS 26 Ca -0.16 -0.98 -0.14 0.00 -2.02 0.00 0.00 58.31 55.01 2noc n LYS 26 Cb 0.59 -0.68 -0.14 0.00 -0.02 0.00 0.00 35.03 34.78 2noc n LYS 26 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2noc h LYS 27 N 0.00 0.20 -0.02 1.97 3.11 -2.02 0.53 116.57 120.35 2noc h LYS 27 Ca -0.21 -0.35 -0.00 0.00 -2.81 0.00 0.00 60.65 57.28 2noc h LYS 27 Cb 0.58 0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 31.94 2noc h LYS 27 CO 0.15 1.10 0.00 1.79 -2.81 0.00 0.00 179.45 179.67 2noc h THR 28 N 0.06 1.25 -0.79 1.00 1.35 -1.99 0.50 112.91 114.28 2noc h THR 28 Ca -0.17 -0.73 -0.02 0.00 -0.55 0.00 0.00 66.41 64.93 2noc h THR 28 Cb 1.96 1.71 -0.04 0.00 -1.73 0.00 0.00 68.15 70.06 2noc h THR 28 CO 0.17 0.19 0.40 0.44 -0.25 0.00 0.00 175.52 176.47 2noc h ASP 29 N -0.27 1.00 -0.43 5.36 5.19 -1.95 -2.29 116.42 123.03 2noc h ASP 29 Ca 0.00 -0.10 0.05 0.00 -0.62 0.00 0.00 57.03 56.36 2noc h ASP 29 Cb 0.31 -0.26 -0.05 0.00 0.18 0.00 0.00 39.33 39.52 2noc h ASP 29 CO 0.00 0.83 0.17 0.15 -3.12 0.00 0.00 179.24 177.26 2noc h PHE 30 N 1.11 0.30 -0.19 4.55 3.57 -0.64 0.39 116.94 126.03 2noc h PHE 30 Ca 0.27 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 2noc h PHE 30 Cb 0.07 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2noc h PHE 30 CO 0.01 0.12 0.01 0.22 -2.23 0.00 0.00 178.31 176.44 2noc h ASP 31 N 0.35 0.25 0.80 0.41 3.58 -0.47 0.64 116.42 121.98 2noc h ASP 31 Ca 0.20 -0.03 -0.24 0.00 0.42 0.00 0.00 57.03 57.38 2noc h ASP 31 Cb 0.17 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 2noc h ASP 31 CO -0.19 0.30 -1.27 0.11 -2.88 0.00 0.00 179.24 175.31 2noc h LYS 32 N 0.27 0.01 0.00 0.28 6.56 -0.77 -3.30 116.57 119.62 2noc h LYS 32 Ca 0.07 -0.01 -0.12 0.00 -1.06 0.00 0.00 60.65 59.52 2noc h LYS 32 Cb 0.18 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.82 2noc h LYS 32 CO 0.00 0.82 -1.15 -0.39 -2.06 0.00 0.00 179.45 176.67 2noc h VAL 33 N 0.00 0.46 0.00 0.50 -1.51 0.15 -3.34 116.25 112.52 2noc h VAL 33 Ca -0.11 -1.83 -0.00 0.00 -1.23 0.00 0.00 66.70 63.52 2noc h VAL 33 Cb 1.86 2.00 -0.00 0.00 -2.13 0.00 0.00 31.29 33.03 2noc h VAL 33 CO 0.11 0.26 -0.01 0.00 -1.23 0.00 0.00 177.57 176.71 2noc h ALA 34 N 1.55 1.19 -0.50 5.19 0.00 0.20 0.17 119.26 127.06 2noc h ALA 34 Ca -0.10 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.90 2noc h ALA 34 Cb 1.44 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 2noc h ALA 34 CO 0.04 0.01 0.34 1.03 0.00 0.00 0.00 179.25 180.67 2noc h SER 35 N 0.00 0.20 -0.02 0.00 0.87 -1.69 -2.04 113.55 110.88 2noc h SER 35 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2noc h SER 35 Cb 0.05 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2noc h SER 35 CO 0.00 0.12 0.00 -0.62 -0.53 0.00 0.00 176.83 175.80 2noc n GLU 36 N -4.45 1.57 -4.45 2.24 1.02 0.53 -4.97 120.64 112.14 2noc n GLU 36 Ca 0.08 -2.49 -0.21 0.00 -0.02 0.00 0.00 57.16 54.52 2noc n GLU 36 Cb 0.41 -1.47 -0.11 0.00 -0.02 0.00 0.00 31.44 30.25 2noc n GLU 36 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2noc s TYR 37 N -2.68 1.96 -0.09 -0.32 1.51 -0.77 0.23 117.35 117.19 2noc s TYR 37 Ca 0.30 -0.89 -0.05 0.00 -1.01 0.00 0.00 57.07 55.42 2noc s TYR 37 Cb 0.26 -1.25 0.04 0.00 -0.11 0.00 0.00 41.96 40.90 2noc s TYR 37 CO 0.03 0.08 0.22 0.99 -1.11 0.00 0.00 175.55 175.77 2noc s THR 38 N -3.22 -0.04 -0.37 -0.71 2.01 0.10 -4.77 115.64 108.64 2noc s THR 38 Ca 0.34 0.14 -0.29 0.00 0.31 0.00 0.00 61.69 62.19 2noc s THR 38 Cb 0.08 -0.34 0.01 0.00 0.01 0.00 0.00 72.50 72.25 2noc s THR 38 CO 0.14 0.06 1.33 -0.75 -0.69 0.00 0.00 174.62 174.72 2noc s LYS 39 N 1.12 3.73 0.11 4.92 2.20 -1.26 -0.41 119.74 130.15 2noc s LYS 39 Ca -0.08 1.02 0.23 0.00 -0.36 0.00 0.00 55.97 56.78 2noc s LYS 39 Cb -0.10 -3.95 0.13 0.00 -1.51 0.00 0.00 37.83 32.40 2noc s LYS 39 CO -0.07 -1.36 1.11 0.44 -0.36 0.00 0.00 175.35 175.11 2noc n ILE 40 N 6.70 0.34 -0.20 5.43 -5.35 -1.17 -4.99 119.36 120.11 2noc n ILE 40 Ca 0.15 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 2noc n ILE 40 Cb 0.48 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.32 2noc n ILE 40 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2noc n GLY 41 N 1.31 -1.31 3.76 3.28 0.00 -1.26 -5.09 105.19 105.89 2noc n GLY 41 Ca 0.02 -1.57 -0.27 0.00 0.00 0.00 0.00 46.02 44.20 2noc n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2noc s THR 42 N -1.69 4.30 0.22 2.61 2.01 -1.26 -2.42 115.64 119.41 2noc s THR 42 Ca 0.00 -1.10 0.05 0.00 0.31 0.00 0.00 61.69 60.96 2noc s THR 42 Cb 0.00 -3.16 -0.05 0.00 0.01 0.00 0.00 72.50 69.30 2noc s THR 42 CO 0.00 -0.06 -0.06 0.27 -0.69 0.00 0.00 174.62 174.08 2noc s ILE 43 N -1.66 1.33 0.31 1.82 -4.36 0.10 -4.97 121.20 113.78 2noc s ILE 43 Ca 0.30 -2.09 -0.10 0.00 -0.26 0.00 0.00 60.65 58.50 2noc s ILE 43 Cb -0.10 -2.21 0.01 0.00 1.25 0.00 0.00 42.46 41.41 2noc s ILE 43 CO 0.22 -0.46 0.55 -0.55 0.24 0.00 0.00 174.94 174.94 2noc s SER 44 N -3.31 0.32 -0.11 4.36 0.15 -1.26 -0.45 113.70 113.40 2noc s SER 44 Ca 0.25 -1.18 -0.05 0.00 0.70 0.00 0.00 55.95 55.67 2noc s SER 44 Cb 0.03 0.68 -0.04 0.00 -1.71 0.00 0.00 66.02 64.98 2noc s SER 44 CO 0.07 -1.32 0.10 0.42 1.20 0.00 0.00 173.24 173.71 2noc s THR 45 N -3.29 5.12 -0.27 6.45 -4.23 -0.29 -4.89 115.64 114.23 2noc s THR 45 Ca 0.24 0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.82 2noc s THR 45 Cb -0.02 -3.21 0.07 0.00 1.34 0.00 0.00 72.50 70.68 2noc s THR 45 CO 0.14 0.61 -0.06 -0.89 -0.54 0.00 0.00 174.62 173.88 2noc s THR 46 N -0.99 1.91 0.00 3.99 2.01 -1.26 -4.85 115.64 116.45 2noc s THR 46 Ca 0.15 -1.60 0.00 0.00 0.31 0.00 0.00 61.69 60.55 2noc s THR 46 Cb -0.12 -2.15 0.00 0.00 0.01 0.00 0.00 72.50 70.24 2noc s THR 46 CO 0.04 -0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.41 2noc n GLY 47 N 4.50 0.78 0.00 4.40 0.00 -1.26 -5.01 105.19 108.60 2noc n GLY 47 Ca -0.10 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2noc n GLY 47 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2noc n GLU 48 N 0.00 0.00 -4.29 1.61 0.28 -1.26 -5.10 120.64 111.89 2noc n GLU 48 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.85 2noc n GLU 48 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 2noc n GLU 48 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 2noc s MET 49 N 0.00 1.21 0.67 3.44 -1.94 -1.26 -5.12 119.30 116.30 2noc s MET 49 Ca 0.00 -1.59 -0.15 0.00 -1.71 0.00 0.00 55.69 52.24 2noc s MET 49 Cb 0.00 -0.49 0.01 0.00 2.01 0.00 0.00 34.83 36.35 2noc s MET 49 CO 0.00 -0.08 1.14 -1.54 -0.01 0.00 0.00 175.02 174.53 2noc s SER 50 N -3.24 4.89 0.16 3.03 1.04 -1.26 -4.67 113.70 113.66 2noc s SER 50 Ca 0.25 2.12 -0.24 0.00 0.48 0.00 0.00 55.95 58.55 2noc s SER 50 Cb 0.05 -2.56 0.04 0.00 0.10 0.00 0.00 66.02 63.65 2noc s SER 50 CO 0.06 -1.78 1.59 1.55 0.98 0.00 0.00 173.24 175.63 2noc h PRO 51 N 0.03 -0.26 -0.11 4.02 0.13 -1.98 0.33 132.00 134.15 2noc h PRO 51 Ca -0.47 0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.58 2noc h PRO 51 Cb 1.26 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 2noc h PRO 51 CO 0.53 -0.18 -0.36 -0.07 -0.23 0.00 0.00 178.00 177.70 2noc h LEU 52 N -0.27 0.23 -0.28 1.56 4.07 -1.99 -0.36 115.31 118.27 2noc h LEU 52 Ca 0.17 -0.08 -0.20 0.00 0.08 0.00 0.00 57.88 57.84 2noc h LEU 52 Cb 0.56 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.24 2noc h LEU 52 CO -0.57 0.57 -0.65 0.44 -1.08 0.00 0.00 178.44 177.15 2noc h ASP 53 N 0.19 0.90 0.05 -0.43 5.19 -1.61 -2.27 116.42 118.44 2noc h ASP 53 Ca 0.02 -0.53 -0.06 0.00 -0.62 0.00 0.00 57.03 55.84 2noc h ASP 53 Cb 0.73 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 2noc h ASP 53 CO 0.05 1.32 -0.17 0.00 -3.12 0.00 0.00 179.24 177.32 2noc h ALA 54 N 0.69 1.43 -0.22 3.45 0.00 -0.01 -2.25 119.26 122.34 2noc h ALA 54 Ca -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2noc h ALA 54 Cb 1.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2noc h ALA 54 CO 0.14 0.40 0.12 0.00 0.00 0.00 0.00 179.25 179.90 2noc h ARG 55 N 0.23 0.31 -0.98 0.00 3.08 -0.82 -1.91 114.38 114.30 2noc h ARG 55 Ca 0.04 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.12 2noc h ARG 55 Cb 0.45 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.37 2noc h ARG 55 CO 0.03 0.30 0.62 0.93 -1.07 0.00 0.00 179.97 180.78 2noc h GLU 56 N 0.24 1.09 -0.53 0.04 4.39 -0.89 0.28 114.58 119.21 2noc h GLU 56 Ca 0.08 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2noc h GLU 56 Cb 0.08 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 2noc h GLU 56 CO -0.01 0.72 0.23 0.22 -1.16 0.00 0.00 179.01 179.02 2noc h ASP 57 N 1.13 0.71 -0.00 1.42 3.58 -1.15 -0.47 116.42 121.62 2noc h ASP 57 Ca 0.42 -0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.73 2noc h ASP 57 Cb 0.18 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 2noc h ASP 57 CO -0.18 0.66 0.00 -0.07 -2.88 0.00 0.00 179.24 176.77 2noc h LEU 58 N 0.71 0.01 -0.30 2.28 3.38 -0.48 -1.35 115.31 119.56 2noc h LEU 58 Ca 0.18 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2noc h LEU 58 Cb 0.16 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2noc h LEU 58 CO -0.02 0.22 0.17 0.40 0.09 0.00 0.00 178.44 179.29 2noc h ILE 59 N -0.20 1.13 -0.09 1.22 2.04 -0.32 -0.25 117.51 121.04 2noc h ILE 59 Ca 0.00 -0.33 -0.18 0.00 1.00 0.00 0.00 64.86 65.35 2noc h ILE 59 Cb 0.21 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2noc h ILE 59 CO -0.00 0.13 -0.69 0.11 0.00 0.00 0.00 178.15 177.70 2noc h LYS 60 N 0.37 0.40 -0.45 2.37 1.57 -1.12 0.65 116.57 120.36 2noc h LYS 60 Ca 0.11 -0.31 -0.10 0.00 -1.87 0.00 0.00 60.65 58.47 2noc h LYS 60 Cb 0.06 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2noc h LYS 60 CO -0.02 0.94 -0.11 -0.22 -0.57 0.00 0.00 179.45 179.48 2noc h LYS 61 N 0.28 0.87 -0.49 3.15 3.64 -1.05 0.21 116.57 123.18 2noc h LYS 61 Ca -0.02 -0.33 -0.09 0.00 -1.27 0.00 0.00 60.65 58.93 2noc h LYS 61 Cb 1.25 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2noc h LYS 61 CO 0.12 0.97 -0.06 0.00 -2.27 0.00 0.00 179.45 178.22 2noc h ALA 62 N 0.87 0.97 -0.72 5.00 0.00 -0.97 -2.28 119.26 122.15 2noc h ALA 62 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2noc h ALA 62 Cb 0.65 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2noc h ALA 62 CO 0.04 0.61 0.45 0.22 0.00 0.00 0.00 179.25 180.58 2noc h ASP 63 N 0.79 0.84 -0.83 0.00 3.58 -0.47 0.18 116.42 120.51 2noc h ASP 63 Ca 0.14 -0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.57 2noc h ASP 63 Cb 0.55 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.35 2noc h ASP 63 CO 0.03 0.63 0.55 -0.08 -2.88 0.00 0.00 179.24 177.49 2noc h GLU 64 N 0.98 1.04 0.00 0.28 4.81 -0.37 -2.08 114.58 119.24 2noc h GLU 64 Ca 0.26 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 2noc h GLU 64 Cb -0.07 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.06 2noc h GLU 64 CO -0.05 0.69 -0.33 -0.22 -0.73 0.00 0.00 179.01 178.37 2noc h LYS 65 N 1.08 0.00 -0.27 1.92 1.63 -0.80 -3.48 116.57 116.66 2noc h LYS 65 Ca 0.32 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 2noc h LYS 65 Cb -0.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 2noc h LYS 65 CO -0.08 0.33 0.00 0.41 -3.45 0.00 0.00 179.45 176.66 2noc n GLY 66 N 1.13 0.78 3.77 5.01 0.00 0.44 -5.09 105.19 111.24 2noc n GLY 66 Ca 0.03 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 2noc n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2noc s ALA 67 N -1.85 3.52 -0.09 4.61 0.00 -0.07 -4.78 121.76 123.10 2noc s ALA 67 Ca 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 51.96 51.79 2noc s ALA 67 Cb 0.00 -2.70 -0.28 0.00 0.00 0.00 0.00 23.12 20.13 2noc s ALA 67 CO 0.00 0.22 0.66 -0.44 0.00 0.00 0.00 175.76 176.20 2noc h ASP 68 N 5.42 0.41 -4.33 0.00 5.19 -1.26 -3.26 116.42 118.59 2noc h ASP 68 Ca -0.46 -0.88 -0.55 0.00 -0.62 0.00 0.00 57.03 54.52 2noc h ASP 68 Cb 1.20 -0.13 -0.29 0.00 0.18 0.00 0.00 39.33 40.29 2noc h ASP 68 CO 0.68 1.55 -0.84 -0.69 -3.12 0.00 0.00 179.24 176.82 2noc s VAL 69 N -2.46 1.41 0.02 -1.35 1.01 -0.26 -0.30 120.40 118.48 2noc s VAL 69 Ca -0.18 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.11 2noc s VAL 69 Cb 0.03 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 2noc s VAL 69 CO 0.79 0.40 -0.22 0.68 0.00 0.00 0.00 175.10 176.74 2noc s VAL 70 N -0.43 1.78 -0.26 2.92 -7.23 -0.02 -0.35 120.40 116.82 2noc s VAL 70 Ca 0.07 -1.15 0.02 0.00 -1.81 0.00 0.00 61.98 59.11 2noc s VAL 70 Cb -0.07 -1.52 0.06 0.00 0.56 0.00 0.00 36.38 35.42 2noc s VAL 70 CO -0.01 0.33 -0.08 -0.69 -0.31 0.00 0.00 175.10 174.35 2noc s VAL 71 N -0.70 1.93 -1.15 1.32 1.01 0.14 -3.99 120.40 118.96 2noc s VAL 71 Ca 0.09 -1.53 -0.21 0.00 0.00 0.00 0.00 61.98 60.32 2noc s VAL 71 Cb -0.09 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.19 2noc s VAL 71 CO 0.01 -0.10 1.70 -0.76 0.00 0.00 0.00 175.10 175.95 2noc s LEU 72 N 1.20 3.53 0.09 3.92 1.43 -1.26 -0.63 118.68 126.95 2noc s LEU 72 Ca -0.06 -1.80 -0.13 0.00 -1.03 0.00 0.00 54.13 51.11 2noc s LEU 72 Cb -0.20 -2.58 -0.20 0.00 0.03 0.00 0.00 46.19 43.25 2noc s LEU 72 CO -0.06 -1.74 1.23 0.71 0.23 0.00 0.00 176.35 176.72 2noc h THR 73 N 6.26 1.29 -1.30 5.49 1.35 -1.67 -3.48 112.91 120.85 2noc h THR 73 Ca 0.29 -2.21 0.00 0.00 -0.55 0.00 0.00 66.41 63.95 2noc h THR 73 Cb 0.94 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 2noc h THR 73 CO 1.39 0.68 0.00 -1.20 -0.25 0.00 0.00 175.52 176.14 2noc n SER 74 N -3.86 -3.89 0.00 5.36 7.64 0.90 -4.65 113.62 115.11 2noc n SER 74 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2noc n SER 74 Cb 0.85 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 2noc n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2noc n GLY 75 N 0.00 -0.85 0.00 0.23 0.00 -0.99 -4.46 105.19 99.12 2noc n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2noc n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2noc n GLN 76 N 0.00 0.66 0.00 1.61 6.02 -1.26 -5.06 117.38 119.36 2noc n GLN 76 Ca 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 2noc n GLN 76 Cb 0.00 -0.54 0.00 0.00 1.02 0.00 0.00 30.24 30.72 2noc n GLN 76 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2noc n THR 77 N -0.13 0.00 0.34 5.09 5.66 -1.26 -5.00 114.28 118.98 2noc n THR 77 Ca 0.00 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.02 2noc n THR 77 Cb 0.10 0.00 0.12 0.00 -1.55 0.00 0.00 70.33 69.00 2noc n THR 77 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2noc n GLU 78 N 0.00 0.17 -0.17 1.09 1.02 -1.26 -3.27 120.64 118.22 2noc n GLU 78 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 2noc n GLU 78 Cb 0.00 -1.37 0.04 0.00 -0.02 0.00 0.00 31.44 30.08 2noc n GLU 78 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2noc h ASN 79 N 0.00 -0.65 -0.50 1.62 -0.73 -2.00 -1.77 115.58 111.55 2noc h ASN 79 Ca 0.00 0.17 0.00 0.00 1.87 0.00 0.00 56.30 58.34 2noc h ASN 79 Cb 0.00 0.39 0.00 0.00 0.27 0.00 0.00 38.32 38.98 2noc h ASN 79 CO 0.00 -0.22 0.00 2.29 -0.37 0.00 0.00 177.43 179.13 2noc n LYS 80 N -5.40 2.99 0.00 6.67 2.85 -1.20 -5.07 118.16 119.00 2noc n LYS 80 Ca 0.05 -2.44 0.00 0.00 -1.05 0.00 0.00 58.31 54.87 2noc n LYS 80 Cb 0.31 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 33.17 2noc n LYS 80 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2noc n ILE 81 N 0.85 0.00 -2.30 0.58 5.41 -0.67 -5.00 119.36 118.23 2noc n ILE 81 Ca 0.19 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.93 2noc n ILE 81 Cb 0.60 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.53 2noc n ILE 81 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 2noc n HIS 82 N 13.82 -2.74 -3.36 1.39 -0.00 -1.26 -4.50 115.22 118.57 2noc n HIS 82 Ca 0.00 1.28 -0.38 0.00 0.46 0.00 0.00 57.72 59.07 2noc n HIS 82 Cb 0.00 -3.19 -0.06 0.00 -0.12 0.00 0.00 29.99 26.62 2noc n HIS 82 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 2noc s GLY 83 N -1.00 2.48 0.13 1.57 0.00 -1.26 -2.35 107.32 106.88 2noc s GLY 83 Ca -0.03 -0.15 0.06 0.00 0.00 0.00 0.00 44.72 44.61 2noc s GLY 83 CO 0.53 0.53 -0.14 -1.59 0.00 0.00 0.00 173.10 172.43 2noc s THR 84 N -0.22 1.38 -0.13 0.90 2.01 -1.26 -1.14 115.64 117.18 2noc s THR 84 Ca 0.26 -1.75 -0.09 0.00 0.31 0.00 0.00 61.69 60.43 2noc s THR 84 Cb -0.16 -1.57 0.04 0.00 0.01 0.00 0.00 72.50 70.82 2noc s THR 84 CO 0.13 -0.41 0.33 0.00 -0.69 0.00 0.00 174.62 173.98 2noc s ALA 85 N -2.15 -0.80 -0.27 7.40 0.00 0.40 -0.07 121.76 126.27 2noc s ALA 85 Ca 0.10 1.14 -0.13 0.00 0.00 0.00 0.00 51.96 53.07 2noc s ALA 85 Cb -0.05 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 2noc s ALA 85 CO 0.03 -0.20 0.27 -0.51 0.00 0.00 0.00 175.76 175.35 2noc s ASP 86 N 0.92 6.13 0.15 0.00 1.11 0.19 0.00 116.67 125.17 2noc s ASP 86 Ca -0.06 0.13 0.07 0.00 0.18 0.00 0.00 52.55 52.87 2noc s ASP 86 Cb -0.07 -2.16 -0.04 0.00 1.07 0.00 0.00 42.92 41.72 2noc s ASP 86 CO -0.07 -0.10 -0.04 0.27 1.18 0.00 0.00 175.17 176.42 2noc s ILE 87 N 1.82 3.60 0.00 0.77 -4.36 -1.02 -0.69 121.20 121.34 2noc s ILE 87 Ca 0.10 -1.38 0.01 0.00 -0.26 0.00 0.00 60.65 59.13 2noc s ILE 87 Cb -0.16 -2.77 -0.01 0.00 1.25 0.00 0.00 42.46 40.77 2noc s ILE 87 CO 0.10 -0.04 -0.04 -0.31 0.24 0.00 0.00 174.94 174.90 2noc s TYR 88 N -1.57 0.33 0.30 1.37 2.02 0.53 -3.07 117.35 117.26 2noc s TYR 88 Ca 0.26 -0.14 0.08 0.00 -0.37 0.00 0.00 57.07 56.90 2noc s TYR 88 Cb -0.10 -0.21 -0.04 0.00 -0.40 0.00 0.00 41.96 41.21 2noc s TYR 88 CO 0.17 -0.03 0.11 -1.59 -1.57 0.00 0.00 175.55 172.64 2noc s LYS 89 N -0.35 2.46 0.35 -0.62 -2.85 0.46 -0.99 119.74 118.21 2noc s LYS 89 Ca -0.01 -1.40 -0.25 0.00 -1.00 0.00 0.00 55.97 53.31 2noc s LYS 89 Cb -0.03 -2.26 -0.09 0.00 -2.06 0.00 0.00 37.83 33.39 2noc s LYS 89 CO -0.00 0.25 1.01 0.21 0.10 0.00 0.00 175.35 176.93 2noc s LYS 90 N -3.79 4.39 0.19 1.78 2.20 -1.26 0.00 119.74 123.25 2noc s LYS 90 Ca 0.35 1.48 -0.02 0.00 -0.36 0.00 0.00 55.97 57.41 2noc s LYS 90 Cb -0.05 -2.73 0.04 0.00 -1.51 0.00 0.00 37.83 33.58 2noc s LYS 90 CO 0.22 0.07 0.26 1.63 -0.36 0.00 0.00 175.35 177.17 2noc n LYS 91 N 0.34 0.08 0.04 4.03 5.02 0.14 -4.81 118.16 123.00 2noc n LYS 91 Ca 0.03 -0.52 0.11 0.00 -2.02 0.00 0.00 58.31 55.91 2noc n LYS 91 Cb 0.49 -0.22 -0.09 0.00 -0.02 0.00 0.00 35.03 35.19 2noc n LYS 91 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2noc n LEU 92 N 0.00 0.40 -4.49 -0.35 -0.00 -1.26 -4.65 117.00 106.65 2noc n LEU 92 Ca 0.04 0.15 -0.43 0.00 -0.00 0.00 0.00 56.01 55.77 2noc n LEU 92 Cb 0.13 -0.02 -0.05 0.00 -0.00 0.00 0.00 43.42 43.47 2noc n LEU 92 CO 0.09 -0.08 0.55 -1.61 -0.00 0.00 0.00 177.39 176.34 2noc s GLU 93 N -3.44 3.24 -0.03 1.47 8.01 -1.26 -5.02 118.70 121.67 2noc s GLU 93 Ca -0.05 -0.52 -0.01 0.00 0.01 0.00 0.00 54.97 54.40 2noc s GLU 93 Cb 0.12 -4.06 0.03 0.00 -4.31 0.00 0.00 34.13 25.91 2noc s GLU 93 CO 0.85 -1.34 0.03 -3.38 0.01 0.00 0.00 175.26 171.44 2noc s HIS 94 N 3.31 0.15 -1.52 1.61 -3.43 -1.26 -4.59 115.29 109.56 2noc s HIS 94 Ca 0.24 0.12 0.24 0.00 -0.80 0.00 0.00 55.06 54.86 2noc s HIS 94 Cb -0.15 -0.41 0.25 0.00 -1.43 0.00 0.00 32.58 30.84 2noc s HIS 94 CO 0.16 -0.15 1.24 -2.39 -2.00 0.00 0.00 174.74 171.60 2noc n HIS 95 N 4.65 0.00 -2.63 0.38 1.44 -1.26 -5.02 115.22 112.78 2noc n HIS 95 Ca -0.17 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.53 2noc n HIS 95 Cb 0.50 -0.08 0.00 0.00 0.12 0.00 0.00 29.99 30.53 2noc n HIS 95 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2noc n HIS 96 N -0.82 -3.67 -1.78 -1.40 -0.00 -1.26 -4.79 115.22 101.49 2noc n HIS 96 Ca 0.08 1.62 -0.43 0.00 0.46 0.00 0.00 57.72 59.45 2noc n HIS 96 Cb 0.38 -3.83 -0.03 0.00 -0.12 0.00 0.00 29.99 26.39 2noc n HIS 96 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2noc s HIS 97 N -1.57 1.47 -1.13 1.57 -3.43 -1.26 -4.90 115.29 106.03 2noc s HIS 97 Ca 0.01 0.47 -0.10 0.00 -0.80 0.00 0.00 55.06 54.64 2noc s HIS 97 Cb -0.00 -4.02 0.25 0.00 -1.43 0.00 0.00 32.58 27.37 2noc s HIS 97 CO 0.72 -3.77 1.19 -1.58 -2.00 0.00 0.00 174.74 169.30 2noc s HIS 98 N 7.20 4.07 0.00 0.38 5.04 -1.26 -5.28 115.29 125.43 2noc s HIS 98 Ca 0.90 -2.53 0.00 0.00 -1.54 0.00 0.00 55.06 51.89 2noc s HIS 98 Cb -0.30 -3.96 0.00 0.00 0.04 0.00 0.00 32.58 28.36 2noc s HIS 98 CO 0.35 -1.07 0.00 1.58 -2.34 0.00 0.00 174.74 173.26