#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 0.31 -0.28 0.03 0.00 -1.26 -5.10 119.74 113.45 2noc s LYS 2 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 55.97 55.87 2noc s LYS 2 Cb 0.00 -0.70 0.16 0.00 0.00 0.00 0.00 37.83 37.29 2noc s LYS 2 CO 0.00 -0.99 0.42 0.95 0.00 0.00 0.00 175.35 175.73 2noc s THR 3 N 2.36 -0.66 -0.28 3.79 -4.23 -1.26 -5.13 115.64 110.23 2noc s THR 3 Ca 0.09 -0.20 -0.11 0.00 -1.18 0.00 0.00 61.69 60.29 2noc s THR 3 Cb -0.14 -0.94 0.11 0.00 1.34 0.00 0.00 72.50 72.87 2noc s THR 3 CO -0.31 -0.21 0.63 -0.83 -0.54 0.00 0.00 174.62 173.36 2noc s GLY 4 N 2.58 -0.65 -0.04 3.99 0.00 -1.26 -5.15 107.32 106.78 2noc s GLY 4 Ca 0.11 2.25 0.06 0.00 0.00 0.00 0.00 44.72 47.14 2noc s GLY 4 CO -0.25 2.74 -0.22 -0.47 0.00 0.00 0.00 173.10 174.90 2noc s TYR 5 N 2.42 2.14 0.05 1.90 5.04 -1.26 -5.14 117.35 122.50 2noc s TYR 5 Ca -0.07 -0.58 0.09 0.00 -2.44 0.00 0.00 57.07 54.07 2noc s TYR 5 Cb -0.10 -1.41 -0.03 0.00 0.35 0.00 0.00 41.96 40.78 2noc s TYR 5 CO -0.18 -0.16 -0.25 0.15 -1.34 0.00 0.00 175.55 173.77 2noc s LYS 6 N -0.18 1.85 -0.11 4.97 1.02 -1.26 -5.12 119.74 120.91 2noc s LYS 6 Ca -0.01 -1.09 -0.04 0.00 0.02 0.00 0.00 55.97 54.85 2noc s LYS 6 Cb -0.12 -2.02 0.06 0.00 -0.52 0.00 0.00 37.83 35.22 2noc s LYS 6 CO 0.02 0.52 0.20 0.54 -0.92 0.00 0.00 175.35 175.71 2noc s VAL 7 N -0.84 -0.32 -0.16 3.17 0.11 -1.26 -5.14 120.40 115.97 2noc s VAL 7 Ca 0.12 0.29 -0.04 0.00 -2.93 0.00 0.00 61.98 59.43 2noc s VAL 7 Cb -0.10 -0.38 0.05 0.00 -1.53 0.00 0.00 36.38 34.42 2noc s VAL 7 CO 0.03 0.11 0.06 -0.04 -3.33 0.00 0.00 175.10 171.92 2noc s MET 8 N 2.34 0.36 0.20 1.54 -1.94 -1.26 -5.13 119.30 115.41 2noc s MET 8 Ca 0.03 -0.18 0.11 0.00 -1.71 0.00 0.00 55.69 53.94 2noc s MET 8 Cb -0.12 -1.79 -0.04 0.00 2.01 0.00 0.00 34.83 34.89 2noc s MET 8 CO -0.07 -0.60 -0.21 -0.48 -0.01 0.00 0.00 175.02 173.65 2noc s LEU 9 N 2.01 2.55 0.00 -0.03 0.05 -1.26 -5.03 118.68 116.96 2noc s LEU 9 Ca 0.01 -0.84 0.00 0.00 0.05 0.00 0.00 54.13 53.35 2noc s LEU 9 Cb -0.16 -1.24 0.00 0.00 -2.05 0.00 0.00 46.19 42.74 2noc s LEU 9 CO -0.08 0.11 0.00 0.61 -0.55 0.00 0.00 176.35 176.44 2noc n GLY 10 N 0.10 -1.02 3.41 -3.48 0.00 -1.26 -5.07 105.19 97.87 2noc n GLY 10 Ca -0.11 0.22 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 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 4.17 -0.35 4.61 0.00 -1.26 -5.01 121.76 123.92 2noc s ALA 11 Ca 0.00 -3.44 -0.17 0.00 0.00 0.00 0.00 51.96 48.36 2noc s ALA 11 Cb 0.00 -3.86 -0.01 0.00 0.00 0.00 0.00 23.12 19.25 2noc s ALA 11 CO 0.00 -2.56 0.44 -0.48 0.00 0.00 0.00 175.76 173.16 2noc s LEU 12 N 0.64 4.42 -0.45 0.00 2.34 -1.26 -5.00 118.68 119.37 2noc s LEU 12 Ca 0.35 -0.16 0.02 0.00 0.06 0.00 0.00 54.13 54.40 2noc s LEU 12 Cb -0.06 -2.47 0.15 0.00 -0.56 0.00 0.00 46.19 43.25 2noc s LEU 12 CO -0.05 -0.42 0.29 0.00 -1.06 0.00 0.00 176.35 175.10 2noc s ALA 13 N 2.21 1.96 0.00 1.48 0.00 -1.26 -4.90 121.76 121.26 2noc s ALA 13 Ca 0.15 -2.58 0.00 0.00 0.00 0.00 0.00 51.96 49.53 2noc s ALA 13 Cb -0.16 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.16 2noc s ALA 13 CO 0.13 -2.06 0.56 1.97 0.00 0.00 0.00 175.76 176.36 2noc n PHE 14 N 3.29 0.00 -1.68 0.00 -1.74 -1.26 -5.00 117.46 111.08 2noc n PHE 14 Ca 0.15 -0.16 -0.22 0.00 -0.56 0.00 0.00 57.45 56.67 2noc n PHE 14 Cb 0.38 -0.02 0.15 0.00 1.52 0.00 0.00 39.48 41.52 2noc n PHE 14 CO 0.00 0.00 0.00 1.33 -0.56 0.00 0.00 176.76 177.53 2noc n VAL 15 N -0.16 0.00 -2.45 1.97 0.24 -1.26 -4.76 118.33 111.91 2noc n VAL 15 Ca 0.00 -0.72 -0.05 0.00 -2.04 0.00 0.00 64.34 61.52 2noc n VAL 15 Cb 0.26 -1.63 0.01 0.00 -1.47 0.00 0.00 33.84 31.01 2noc n VAL 15 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2noc n VAL 16 N -3.38 -8.32 -0.34 3.34 0.31 -1.26 -4.32 118.33 104.36 2noc n VAL 16 Ca 0.12 0.57 0.00 0.00 -0.01 0.00 0.00 64.34 65.03 2noc n VAL 16 Cb 0.43 -6.29 0.00 0.00 -0.91 0.00 0.00 33.84 27.07 2noc n VAL 16 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2noc n THR 17 N -0.44 0.00 0.08 2.52 5.66 -1.26 -0.07 114.28 120.77 2noc n THR 17 Ca 0.08 -0.31 0.10 0.00 -3.05 0.00 0.00 64.05 60.87 2noc n THR 17 Cb 0.33 1.34 -0.04 0.00 -1.55 0.00 0.00 70.33 70.42 2noc n THR 17 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2noc n ASN 18 N -0.06 0.72 -4.55 1.09 4.13 -1.26 -4.75 115.26 110.57 2noc n ASN 18 Ca 0.00 0.28 -0.40 0.00 1.68 0.00 0.00 54.58 56.14 2noc n ASN 18 Cb 0.09 0.65 -0.03 0.00 -1.54 0.00 0.00 39.78 38.95 2noc n ASN 18 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2noc s VAL 19 N -3.34 3.70 0.00 2.41 -7.23 -1.26 -4.77 120.40 109.91 2noc s VAL 19 Ca -0.02 0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 2noc s VAL 19 Cb 0.10 -4.78 0.00 0.00 0.56 0.00 0.00 36.38 32.26 2noc s VAL 19 CO 0.81 -1.72 0.00 0.00 -0.31 0.00 0.00 175.10 173.88 2noc n TYR 20 N 9.90 0.00 -3.25 2.82 9.36 -1.26 -4.57 117.16 130.16 2noc n TYR 20 Ca 0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.34 2noc n TYR 20 Cb 0.50 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 2noc n TYR 20 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2noc n ALA 21 N -2.13 0.00 -2.27 2.98 0.00 -1.26 -5.04 120.51 112.79 2noc n ALA 21 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2noc n ALA 21 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2noc n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2noc s ALA 22 N -2.00 3.41 0.25 0.00 0.00 -1.25 -4.89 121.76 117.28 2noc s ALA 22 Ca 0.00 0.89 -0.22 0.00 0.00 0.00 0.00 51.96 52.63 2noc s ALA 22 Cb 0.00 -3.43 0.03 0.00 0.00 0.00 0.00 23.12 19.72 2noc s ALA 22 CO 0.00 -0.41 0.70 -2.00 0.00 0.00 0.00 175.76 174.05 2noc s GLU 23 N 0.57 1.65 0.30 0.00 -6.30 -0.94 -5.01 118.70 108.96 2noc s GLU 23 Ca 0.57 -0.85 -0.19 0.00 -2.50 0.00 0.00 54.97 52.00 2noc s GLU 23 Cb -0.31 0.60 -0.09 0.00 0.00 0.00 0.00 34.13 34.33 2noc s GLU 23 CO 0.32 -0.75 0.78 0.42 0.02 0.00 0.00 175.26 176.05 2noc s ILE 24 N -3.86 4.55 0.03 -3.70 -1.09 -1.26 -2.83 121.20 113.03 2noc s ILE 24 Ca 0.09 1.25 0.08 0.00 -2.23 0.00 0.00 60.65 59.83 2noc s ILE 24 Cb -0.05 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 2noc s ILE 24 CO 0.02 -0.01 -0.24 -0.04 -1.23 0.00 0.00 174.94 173.43 2noc s MET 25 N -2.51 1.75 0.79 2.79 -1.94 -1.26 -5.00 119.30 113.91 2noc s MET 25 Ca 0.50 -1.00 -0.11 0.00 -1.71 0.00 0.00 55.69 53.37 2noc s MET 25 Cb -0.13 -1.84 0.07 0.00 2.01 0.00 0.00 34.83 34.93 2noc s MET 25 CO 0.19 0.48 1.09 0.15 -0.01 0.00 0.00 175.02 176.92 2noc s LYS 26 N -1.04 2.13 0.35 2.03 1.02 -1.26 -4.70 119.74 118.27 2noc s LYS 26 Ca 0.10 0.96 0.06 0.00 0.02 0.00 0.00 55.97 57.10 2noc s LYS 26 Cb -0.10 -1.90 0.67 0.00 -0.52 0.00 0.00 37.83 35.98 2noc s LYS 26 CO 0.01 -1.67 1.90 0.87 -0.92 0.00 0.00 175.35 175.54 2noc h LYS 27 N -1.14 0.46 -0.18 1.68 6.56 -2.00 0.94 116.57 122.89 2noc h LYS 27 Ca -0.46 -0.09 -0.14 0.00 -1.06 0.00 0.00 60.65 58.91 2noc h LYS 27 Cb 1.25 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 2noc h LYS 27 CO 0.54 0.50 -0.41 0.00 -2.06 0.00 0.00 179.45 178.02 2noc h THR 28 N 0.45 1.33 -0.20 -0.16 1.03 -1.99 -1.56 112.91 111.80 2noc h THR 28 Ca 0.10 -1.66 -0.21 0.00 -0.01 0.00 0.00 66.41 64.63 2noc h THR 28 Cb 0.30 1.91 0.01 0.00 -1.07 0.00 0.00 68.15 69.30 2noc h THR 28 CO 0.01 0.51 -0.69 0.44 -0.01 0.00 0.00 175.52 175.78 2noc h ASP 29 N 0.27 0.93 -0.27 0.00 3.32 -1.78 -2.54 116.42 116.35 2noc h ASP 29 Ca 0.00 -0.57 0.03 0.00 0.02 0.00 0.00 57.03 56.51 2noc h ASP 29 Cb 1.02 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 2noc h ASP 29 CO 0.09 1.36 0.09 0.15 -1.72 0.00 0.00 179.24 179.21 2noc h PHE 30 N 0.57 0.16 -0.25 4.55 3.57 0.87 0.35 116.94 126.77 2noc h PHE 30 Ca -0.03 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 2noc h PHE 30 Cb 1.31 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 2noc h PHE 30 CO 0.08 0.07 0.00 0.22 -2.23 0.00 0.00 178.31 176.45 2noc h ASP 31 N 0.21 0.34 -0.07 0.41 1.82 -1.26 0.28 116.42 118.14 2noc h ASP 31 Ca 0.12 -0.05 -0.18 0.00 -0.39 0.00 0.00 57.03 56.53 2noc h ASP 31 Cb 0.09 -0.09 0.01 0.00 0.68 0.00 0.00 39.33 40.02 2noc h ASP 31 CO -0.12 0.40 -0.68 0.11 -1.61 0.00 0.00 179.24 177.34 2noc h LYS 32 N 0.36 0.58 0.00 0.28 6.56 -0.90 -3.24 116.57 120.21 2noc h LYS 32 Ca 0.08 -0.53 -0.01 0.00 -1.06 0.00 0.00 60.65 59.13 2noc h LYS 32 Cb 0.24 0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 32.03 2noc h LYS 32 CO 0.01 1.15 -0.05 -0.39 -2.06 0.00 0.00 179.45 178.11 2noc h VAL 33 N 0.20 0.09 0.00 0.50 -1.51 -0.02 -3.02 116.25 112.49 2noc h VAL 33 Ca -0.06 -1.11 -0.00 0.00 -1.23 0.00 0.00 66.70 64.29 2noc h VAL 33 Cb 1.34 2.03 -0.00 0.00 -2.13 0.00 0.00 31.29 32.52 2noc h VAL 33 CO 0.14 0.05 -0.01 0.00 -1.23 0.00 0.00 177.57 176.52 2noc h ALA 34 N 1.95 1.09 -0.59 5.19 0.00 -0.48 -1.24 119.26 125.18 2noc h ALA 34 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2noc h ALA 34 Cb 1.02 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2noc h ALA 34 CO 0.01 0.01 0.27 1.03 0.00 0.00 0.00 179.25 180.56 2noc h SER 35 N 0.00 0.79 -0.19 0.00 0.87 -1.64 -3.27 113.55 110.11 2noc h SER 35 Ca -0.00 -0.15 -0.16 0.00 -1.23 0.00 0.00 61.79 60.26 2noc h SER 35 Cb 0.05 -0.20 -0.16 0.00 -0.44 0.00 0.00 62.40 61.65 2noc h SER 35 CO 0.00 0.72 -0.66 -0.62 -0.53 0.00 0.00 176.83 175.74 2noc n GLU 36 N -4.50 1.91 -4.25 2.24 1.02 -0.57 -5.02 120.64 111.47 2noc n GLU 36 Ca 0.04 -3.39 -0.30 0.00 -0.02 0.00 0.00 57.16 53.49 2noc n GLU 36 Cb 0.14 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 29.92 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 -3.01 1.57 0.03 -0.32 1.51 -0.59 -3.68 117.35 112.87 2noc s TYR 37 Ca 0.40 -0.94 0.06 0.00 -1.01 0.00 0.00 57.07 55.58 2noc s TYR 37 Cb 0.38 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 40.44 2noc s TYR 37 CO -0.05 -0.26 -0.16 0.99 -1.11 0.00 0.00 175.55 174.95 2noc s THR 38 N -2.85 1.28 -0.23 -0.71 2.01 0.11 -4.87 115.64 110.38 2noc s THR 38 Ca 0.20 -1.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.03 2noc s THR 38 Cb -0.02 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 2noc s THR 38 CO 0.13 0.11 0.41 -0.75 -0.69 0.00 0.00 174.62 173.82 2noc s LYS 39 N -1.05 4.11 0.00 4.92 2.47 -1.26 -0.30 119.74 128.62 2noc s LYS 39 Ca 0.04 0.17 0.04 0.00 -1.56 0.00 0.00 55.97 54.66 2noc s LYS 39 Cb -0.08 -3.59 0.09 0.00 -1.46 0.00 0.00 37.83 32.79 2noc s LYS 39 CO 0.01 -0.17 0.99 0.44 0.16 0.00 0.00 175.35 176.79 2noc n ILE 40 N 4.72 0.79 0.00 5.43 -5.35 -1.25 -4.96 119.36 118.74 2noc n ILE 40 Ca -0.08 -0.89 0.00 0.00 -0.27 0.00 0.00 62.75 61.51 2noc n ILE 40 Cb 0.51 0.62 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 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 -0.05 1.81 3.79 3.28 0.00 -1.26 -5.04 105.19 107.72 2noc n GLY 41 Ca 0.04 -2.11 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.84 4.48 0.33 2.61 2.01 -1.26 -3.25 115.64 118.72 2noc s THR 42 Ca 0.00 -1.03 0.09 0.00 0.31 0.00 0.00 61.69 61.06 2noc s THR 42 Cb 0.00 -3.26 -0.06 0.00 0.01 0.00 0.00 72.50 69.18 2noc s THR 42 CO 0.00 -0.06 -0.10 0.27 -0.69 0.00 0.00 174.62 174.04 2noc s ILE 43 N -1.68 2.13 0.38 1.82 -4.36 0.46 -4.99 121.20 114.96 2noc s ILE 43 Ca 0.31 -2.20 -0.13 0.00 -0.26 0.00 0.00 60.65 58.36 2noc s ILE 43 Cb -0.10 -2.58 0.05 0.00 1.25 0.00 0.00 42.46 41.08 2noc s ILE 43 CO 0.23 -0.24 0.75 -0.24 0.24 0.00 0.00 174.94 175.68 2noc n SER 44 N -0.73 -2.17 -3.63 4.36 2.88 -1.26 -0.28 113.62 112.78 2noc n SER 44 Ca -0.05 -2.57 -0.12 0.00 -1.33 0.00 0.00 58.87 54.81 2noc n SER 44 Cb 0.63 3.63 -0.05 0.00 -0.75 0.00 0.00 64.21 67.67 2noc n SER 44 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2noc s THR 45 N -2.18 0.06 -0.22 2.46 -1.32 -1.13 -4.96 115.64 108.35 2noc s THR 45 Ca 0.16 -0.50 -0.13 0.00 -1.21 0.00 0.00 61.69 60.02 2noc s THR 45 Cb -0.05 -1.07 0.07 0.00 -1.51 0.00 0.00 72.50 69.94 2noc s THR 45 CO 0.12 -0.27 0.54 -0.89 -2.21 0.00 0.00 174.62 171.91 2noc s THR 46 N -3.24 -0.01 0.00 5.08 2.01 -1.26 -3.93 115.64 114.29 2noc s THR 46 Ca -0.01 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.04 2noc s THR 46 Cb 0.01 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.72 2noc s THR 46 CO -0.08 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.48 2noc n GLY 47 N 4.16 0.64 2.59 4.40 0.00 -1.20 -5.00 105.19 110.78 2noc n GLY 47 Ca -0.21 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 2noc n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2noc s GLU 48 N 0.00 0.25 0.10 1.61 -1.05 -1.26 -4.13 118.70 114.22 2noc s GLU 48 Ca 0.00 -0.50 -0.00 0.00 -0.15 0.00 0.00 54.97 54.32 2noc s GLU 48 Cb 0.00 -1.05 -0.04 0.00 -0.44 0.00 0.00 34.13 32.60 2noc s GLU 48 CO 0.00 -1.04 -0.00 -1.64 0.95 0.00 0.00 175.26 173.53 2noc s MET 49 N 2.08 0.80 0.22 -4.83 -1.94 -1.26 -5.02 119.30 109.35 2noc s MET 49 Ca 0.10 -1.34 -0.12 0.00 -1.71 0.00 0.00 55.69 52.62 2noc s MET 49 Cb -0.16 0.11 -0.07 0.00 2.01 0.00 0.00 34.83 36.72 2noc s MET 49 CO -0.33 -0.15 0.58 -1.12 -0.01 0.00 0.00 175.02 173.99 2noc s SER 50 N -3.01 6.71 0.23 3.03 0.01 -1.26 -4.49 113.70 114.93 2noc s SER 50 Ca 0.15 1.03 -0.07 0.00 1.31 0.00 0.00 55.95 58.37 2noc s SER 50 Cb 0.07 -2.27 0.23 0.00 0.21 0.00 0.00 66.02 64.26 2noc s SER 50 CO -0.04 -0.04 1.91 1.55 0.41 0.00 0.00 173.24 177.02 2noc h PRO 51 N 2.79 1.17 -0.09 12.44 0.13 -1.98 0.50 132.00 146.95 2noc h PRO 51 Ca -0.47 -0.07 -0.21 0.00 -0.87 0.00 0.00 66.00 64.37 2noc h PRO 51 Cb 1.18 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2noc h PRO 51 CO 0.68 0.78 -0.80 1.25 -0.23 0.00 0.00 178.00 179.67 2noc h LEU 52 N 1.21 0.71 -1.09 1.56 5.85 -1.99 -1.39 115.31 120.17 2noc h LEU 52 Ca 0.34 -0.49 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 2noc h LEU 52 Cb -0.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 2noc h LEU 52 CO -0.08 1.26 0.08 -0.78 -0.34 0.00 0.00 178.44 178.58 2noc h ASP 53 N 0.39 0.68 0.65 1.25 3.58 -1.75 -1.83 116.42 119.39 2noc h ASP 53 Ca -0.05 -0.13 -0.18 0.00 0.42 0.00 0.00 57.03 57.09 2noc h ASP 53 Cb 1.41 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.27 2noc h ASP 53 CO 0.15 0.70 -0.81 0.00 -2.88 0.00 0.00 179.24 176.40 2noc h ALA 54 N 1.39 0.63 0.08 -0.78 0.00 0.02 -2.72 119.26 117.88 2noc h ALA 54 Ca 0.15 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 2noc h ALA 54 Cb 0.32 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2noc h ALA 54 CO 0.00 0.92 -0.06 0.00 0.00 0.00 0.00 179.25 180.12 2noc h ARG 55 N 0.07 -0.14 0.00 0.00 3.08 -0.53 -0.32 114.38 116.54 2noc h ARG 55 Ca -0.02 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2noc h ARG 55 Cb 1.41 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.49 2noc h ARG 55 CO 0.12 -0.09 -0.24 0.93 -1.07 0.00 0.00 179.97 179.61 2noc h GLU 56 N -0.15 0.00 -0.11 0.04 5.08 -1.37 0.45 114.58 118.52 2noc h GLU 56 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2noc h GLU 56 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2noc h GLU 56 CO -0.00 0.24 0.01 0.22 -1.00 0.00 0.00 179.01 178.47 2noc h ASP 57 N 0.00 0.19 -0.48 1.42 3.58 -1.14 -0.66 116.42 119.33 2noc h ASP 57 Ca -0.00 -0.29 -0.02 0.00 0.42 0.00 0.00 57.03 57.14 2noc h ASP 57 Cb 0.55 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 2noc h ASP 57 CO 0.03 0.43 0.21 -0.07 -2.88 0.00 0.00 179.24 176.96 2noc h LEU 58 N -0.06 0.64 -0.10 2.28 3.38 -0.07 -0.94 115.31 120.45 2noc h LEU 58 Ca 0.03 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2noc h LEU 58 Cb 0.33 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2noc h LEU 58 CO 0.00 0.62 0.05 0.40 0.09 0.00 0.00 178.44 179.61 2noc h ILE 59 N 0.63 1.08 -0.53 1.22 2.04 -0.09 0.19 117.51 122.04 2noc h ILE 59 Ca 0.16 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 2noc h ILE 59 Cb 0.16 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2noc h ILE 59 CO -0.02 0.07 0.19 0.11 0.00 0.00 0.00 178.15 178.51 2noc h LYS 60 N 0.07 0.81 -0.70 2.37 1.79 -1.08 -1.86 116.57 117.97 2noc h LYS 60 Ca 0.03 -0.16 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 2noc h LYS 60 Cb 0.07 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.56 2noc h LYS 60 CO -0.01 0.73 0.29 -0.22 -1.08 0.00 0.00 179.45 179.16 2noc h LYS 61 N 0.73 1.03 -0.59 3.15 3.64 -0.91 0.15 116.57 123.76 2noc h LYS 61 Ca 0.18 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2noc h LYS 61 Cb 0.23 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 2noc h LYS 61 CO -0.01 0.85 0.38 0.00 -2.27 0.00 0.00 179.45 178.39 2noc h ALA 62 N 1.13 0.76 -0.20 5.00 0.00 -0.45 0.15 119.26 125.65 2noc h ALA 62 Ca 0.23 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2noc h ALA 62 Cb 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2noc h ALA 62 CO -0.02 0.14 -0.12 0.22 0.00 0.00 0.00 179.25 179.47 2noc h ASP 63 N 0.75 0.30 1.75 0.00 3.58 -0.78 0.69 116.42 122.71 2noc h ASP 63 Ca 0.23 -0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 2noc h ASP 63 Cb -0.03 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 40.93 2noc h ASP 63 CO -0.07 0.46 -0.07 -0.33 -2.88 0.00 0.00 179.24 176.34 2noc h GLU 64 N 0.30 0.00 0.00 0.28 5.08 0.12 -3.18 114.58 117.18 2noc h GLU 64 Ca 0.06 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.17 2noc h GLU 64 Cb 0.40 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 2noc h GLU 64 CO 0.02 0.07 -1.77 1.17 -1.00 0.00 0.00 179.01 177.51 2noc n LYS 65 N -3.13 0.64 0.00 2.33 4.81 0.44 -5.01 118.16 118.24 2noc n LYS 65 Ca 0.03 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 2noc n LYS 65 Cb 0.52 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 33.84 2noc n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2noc n GLY 66 N 1.53 0.66 3.98 3.14 0.00 0.15 -5.09 105.19 109.56 2noc n GLY 66 Ca -0.17 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.76 4.04 0.00 4.61 0.00 -0.68 -4.80 121.76 124.17 2noc s ALA 67 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.59 2noc s ALA 67 Cb 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.16 2noc s ALA 67 CO 0.00 -0.54 0.00 -3.47 0.00 0.00 0.00 175.76 171.75 2noc n ASP 68 N -2.15 2.77 -4.17 0.00 2.03 0.87 -4.85 116.55 111.04 2noc n ASP 68 Ca 0.06 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.11 2noc n ASP 68 Cb 0.59 0.02 -0.16 0.00 -0.72 0.00 0.00 41.12 40.85 2noc n ASP 68 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2noc s VAL 69 N -1.68 1.49 0.03 5.18 1.01 0.19 -2.21 120.40 124.41 2noc s VAL 69 Ca 0.00 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.29 2noc s VAL 69 Cb 0.00 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 2noc s VAL 69 CO 0.00 0.42 -0.26 0.68 0.00 0.00 0.00 175.10 175.95 2noc s VAL 70 N -0.20 2.17 -0.18 2.92 -7.23 -1.13 -0.11 120.40 116.64 2noc s VAL 70 Ca 0.01 -1.31 -0.00 0.00 -1.81 0.00 0.00 61.98 58.87 2noc s VAL 70 Cb -0.10 -1.82 0.04 0.00 0.56 0.00 0.00 36.38 35.06 2noc s VAL 70 CO 0.01 0.41 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.45 2noc s VAL 71 N -0.77 1.31 -1.11 1.32 1.01 0.25 -4.29 120.40 118.12 2noc s VAL 71 Ca 0.11 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 2noc s VAL 71 Cb -0.10 -1.43 0.17 0.00 0.00 0.00 0.00 36.38 35.01 2noc s VAL 71 CO 0.02 0.16 1.30 -0.76 0.00 0.00 0.00 175.10 175.81 2noc s LEU 72 N 1.55 5.20 0.05 3.92 1.43 -1.26 -0.82 118.68 128.75 2noc s LEU 72 Ca 0.00 -2.75 -0.17 0.00 -1.03 0.00 0.00 54.13 50.19 2noc s LEU 72 Cb -0.15 -2.38 -0.19 0.00 0.03 0.00 0.00 46.19 43.50 2noc s LEU 72 CO -0.08 -0.80 1.22 0.71 0.23 0.00 0.00 176.35 177.63 2noc h THR 73 N 4.94 1.36 -1.22 5.49 1.35 -1.93 -3.49 112.91 119.40 2noc h THR 73 Ca 0.25 -1.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 2noc h THR 73 Cb 0.92 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 2noc h THR 73 CO 1.17 0.58 0.00 -1.54 -0.25 0.00 0.00 175.52 175.48 2noc n SER 74 N -4.16 -3.66 -3.78 5.36 3.41 0.12 -4.90 113.62 106.00 2noc n SER 74 Ca -0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.40 2noc n SER 74 Cb 0.65 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.48 2noc n SER 74 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2noc s GLY 75 N -3.90 -0.18 -1.25 5.00 0.00 -1.26 -4.26 107.32 101.47 2noc s GLY 75 Ca 0.00 0.71 -0.17 0.00 0.00 0.00 0.00 44.72 45.26 2noc s GLY 75 CO 0.00 0.65 2.04 -0.18 0.00 0.00 0.00 173.10 175.61 2noc n GLN 76 N 3.06 2.50 -3.33 2.90 7.27 -1.26 -4.61 117.38 123.91 2noc n GLN 76 Ca -0.14 -2.54 -0.13 0.00 0.07 0.00 0.00 57.00 54.26 2noc n GLN 76 Cb 0.58 -3.28 -0.06 0.00 2.41 0.00 0.00 30.24 29.89 2noc n GLN 76 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2noc s THR 77 N 4.45 -0.47 -0.27 1.69 2.01 -1.26 -5.02 115.64 116.77 2noc s THR 77 Ca 0.52 -0.77 0.21 0.00 0.31 0.00 0.00 61.69 61.97 2noc s THR 77 Cb 0.11 -0.57 0.08 0.00 0.01 0.00 0.00 72.50 72.14 2noc s THR 77 CO 0.01 -0.46 1.22 -0.33 -0.69 0.00 0.00 174.62 174.37 2noc h GLU 78 N 7.12 0.00 0.16 4.92 5.08 -1.98 -3.16 114.58 126.70 2noc h GLU 78 Ca 0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2noc h GLU 78 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2noc h GLU 78 CO 0.19 0.09 -0.20 -0.91 -1.00 0.00 0.00 179.01 177.18 2noc h ASN 79 N 0.00 -0.55 -3.35 1.42 4.21 -1.95 -3.41 115.58 111.96 2noc h ASN 79 Ca -0.02 0.05 -0.54 0.00 1.21 0.00 0.00 56.30 57.00 2noc h ASN 79 Cb 1.13 0.19 -0.39 0.00 -1.12 0.00 0.00 38.32 38.13 2noc h ASN 79 CO 0.01 -0.24 -0.78 -1.59 -1.29 0.00 0.00 177.43 173.54 2noc s LYS 80 N -4.07 1.13 0.41 0.81 -2.85 -1.26 -4.76 119.74 109.15 2noc s LYS 80 Ca -0.07 -0.49 -0.23 0.00 -1.00 0.00 0.00 55.97 54.18 2noc s LYS 80 Cb 0.02 -2.02 -0.09 0.00 -2.06 0.00 0.00 37.83 33.68 2noc s LYS 80 CO 0.23 -0.51 1.05 0.42 0.10 0.00 0.00 175.35 176.63 2noc s ILE 81 N 1.71 3.74 0.00 3.79 1.01 -1.19 -4.85 121.20 125.41 2noc s ILE 81 Ca -0.00 1.29 0.12 0.00 0.00 0.00 0.00 60.65 62.05 2noc s ILE 81 Cb -0.16 -3.64 0.19 0.00 0.01 0.00 0.00 42.46 38.86 2noc s ILE 81 CO -0.07 -0.04 1.03 1.57 0.00 0.00 0.00 174.94 177.43 2noc n HIS 82 N -0.22 0.00 -1.52 3.97 -0.00 -1.26 -3.23 115.22 112.96 2noc n HIS 82 Ca 0.06 -0.27 -0.31 0.00 0.46 0.00 0.00 57.72 57.65 2noc n HIS 82 Cb 0.50 -0.01 0.06 0.00 -0.12 0.00 0.00 29.99 30.42 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 -1.36 1.66 0.18 1.57 0.00 -1.25 -4.72 107.32 103.40 2noc s GLY 83 Ca 0.15 0.05 0.10 0.00 0.00 0.00 0.00 44.72 45.02 2noc s GLY 83 CO -0.08 0.39 -0.20 -0.51 0.00 0.00 0.00 173.10 172.70 2noc s THR 84 N -3.05 2.03 -0.04 0.90 -4.23 -1.26 -2.84 115.64 107.15 2noc s THR 84 Ca 0.59 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 2noc s THR 84 Cb -0.15 -1.97 0.01 0.00 1.34 0.00 0.00 72.50 71.74 2noc s THR 84 CO 0.55 -0.26 -0.09 0.00 -0.54 0.00 0.00 174.62 174.27 2noc s ALA 85 N -1.98 0.95 -0.18 3.99 0.00 0.61 0.11 121.76 125.26 2noc s ALA 85 Ca 0.18 -0.32 -0.05 0.00 0.00 0.00 0.00 51.96 51.78 2noc s ALA 85 Cb -0.06 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 2noc s ALA 85 CO 0.08 0.12 -0.00 0.34 0.00 0.00 0.00 175.76 176.30 2noc s ASP 86 N 0.41 4.95 0.16 0.00 2.15 -0.00 -0.40 116.67 123.93 2noc s ASP 86 Ca -0.07 -0.14 0.09 0.00 0.43 0.00 0.00 52.55 52.87 2noc s ASP 86 Cb -0.11 -1.83 -0.04 0.00 -0.30 0.00 0.00 42.92 40.63 2noc s ASP 86 CO 0.01 0.11 -0.16 0.27 -0.17 0.00 0.00 175.17 175.24 2noc s ILE 87 N 0.71 2.89 0.10 4.11 -4.36 -1.20 -0.59 121.20 122.86 2noc s ILE 87 Ca -0.00 -1.68 0.05 0.00 -0.26 0.00 0.00 60.65 58.76 2noc s ILE 87 Cb -0.14 -2.38 -0.03 0.00 1.25 0.00 0.00 42.46 41.15 2noc s ILE 87 CO 0.02 -0.04 -0.13 -0.31 0.24 0.00 0.00 174.94 174.73 2noc s TYR 88 N -1.50 1.26 -0.10 1.37 1.51 0.85 -3.77 117.35 116.96 2noc s TYR 88 Ca 0.22 -0.56 0.03 0.00 -1.01 0.00 0.00 57.07 55.75 2noc s TYR 88 Cb -0.09 -0.68 -0.01 0.00 -0.11 0.00 0.00 41.96 41.08 2noc s TYR 88 CO 0.12 0.08 -0.22 0.21 -1.11 0.00 0.00 175.55 174.64 2noc s LYS 89 N -2.48 3.05 0.20 -0.62 2.47 0.59 -0.09 119.74 122.85 2noc s LYS 89 Ca 0.05 -0.84 -0.30 0.00 -1.56 0.00 0.00 55.97 53.33 2noc s LYS 89 Cb -0.06 -2.36 -0.09 0.00 -1.46 0.00 0.00 37.83 33.87 2noc s LYS 89 CO 0.02 0.22 1.29 0.21 0.16 0.00 0.00 175.35 177.26 2noc s LYS 90 N 0.25 4.40 0.00 4.03 2.20 -1.26 0.06 119.74 129.42 2noc s LYS 90 Ca -0.15 2.04 0.00 0.00 -0.36 0.00 0.00 55.97 57.50 2noc s LYS 90 Cb -0.17 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 2noc s LYS 90 CO 0.07 -0.22 0.00 1.63 -0.36 0.00 0.00 175.35 176.47 2noc n LYS 91 N 2.51 0.35 -0.67 4.03 5.02 -1.24 -4.89 118.16 123.26 2noc n LYS 91 Ca 0.06 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2noc n LYS 91 Cb 0.43 0.00 0.22 0.00 -0.02 0.00 0.00 35.03 35.66 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 4.11 0.00 -0.35 -0.00 -1.26 -5.01 117.00 114.50 2noc n LEU 92 Ca 0.00 -3.47 0.00 0.00 -0.00 0.00 0.00 56.01 52.54 2noc n LEU 92 Cb 0.00 -0.61 0.00 0.00 -0.00 0.00 0.00 43.42 42.81 2noc n LEU 92 CO 0.00 1.02 0.00 -0.62 -0.00 0.00 0.00 177.39 177.79 2noc n GLU 93 N -0.91 0.46 -2.87 1.47 -0.58 -1.26 -4.94 120.64 112.01 2noc n GLU 93 Ca 0.30 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.62 2noc n GLU 93 Cb 1.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.83 2noc n GLU 93 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2noc s HIS 94 N -0.25 3.41 -0.27 -0.32 3.76 -1.26 -4.99 115.29 115.37 2noc s HIS 94 Ca 0.00 1.27 -0.35 0.00 -0.15 0.00 0.00 55.06 55.83 2noc s HIS 94 Cb 0.00 -3.04 0.16 0.00 1.11 0.00 0.00 32.58 30.82 2noc s HIS 94 CO 0.00 -0.26 1.34 -3.38 -0.85 0.00 0.00 174.74 171.59 2noc s HIS 95 N 2.25 -0.04 -0.57 1.40 -3.43 -1.26 -4.99 115.29 108.65 2noc s HIS 95 Ca 0.39 0.04 -0.20 0.00 -0.80 0.00 0.00 55.06 54.49 2noc s HIS 95 Cb -0.16 0.50 0.08 0.00 -1.43 0.00 0.00 32.58 31.57 2noc s HIS 95 CO 0.12 -0.06 0.72 -1.58 -2.00 0.00 0.00 174.74 171.94 2noc s HIS 96 N -1.80 2.96 -0.89 0.38 2.46 0.90 -4.91 115.29 114.40 2noc s HIS 96 Ca 0.10 -0.70 0.15 0.00 0.47 0.00 0.00 55.06 55.08 2noc s HIS 96 Cb -0.01 -3.88 0.69 0.00 -0.13 0.00 0.00 32.58 29.25 2noc s HIS 96 CO -0.04 -1.25 1.58 1.58 -2.47 0.00 0.00 174.74 174.14 2noc n HIS 97 N 6.51 1.55 -3.02 3.88 -0.00 -1.26 -4.32 115.22 118.57 2noc n HIS 97 Ca -0.07 -0.58 0.00 0.00 -0.00 0.00 0.00 57.72 57.07 2noc n HIS 97 Cb 0.44 -0.31 0.00 0.00 -0.00 0.00 0.00 29.99 30.12 2noc n HIS 97 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2noc n HIS 98 N 0.87 -0.00 0.36 1.57 8.25 -1.26 -4.87 115.22 120.14 2noc n HIS 98 Ca 0.24 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.74 2noc n HIS 98 Cb 0.92 0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.07 2noc n HIS 98 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59