#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 0.47 -0.42 3.17 2.20 -1.26 -5.11 119.74 118.78 2noc s LYS 2 Ca 0.00 0.52 -0.10 0.00 -0.36 0.00 0.00 55.97 56.03 2noc s LYS 2 Cb 0.00 -0.03 0.07 0.00 -1.51 0.00 0.00 37.83 36.37 2noc s LYS 2 CO 0.00 -0.85 0.28 0.99 -0.36 0.00 0.00 175.35 175.41 2noc s THR 3 N 2.68 4.42 0.00 3.43 2.01 -1.26 -4.59 115.64 122.33 2noc s THR 3 Ca 0.13 -1.29 0.00 0.00 0.31 0.00 0.00 61.69 60.84 2noc s THR 3 Cb -0.13 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.71 2noc s THR 3 CO -0.24 -0.49 0.00 0.61 -0.69 0.00 0.00 174.62 173.81 2noc n GLY 4 N 4.97 0.00 3.55 4.40 0.00 -1.26 -5.09 105.19 111.76 2noc n GLY 4 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 2noc n GLY 4 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2noc s TYR 5 N 0.00 1.51 -0.25 1.61 5.04 -1.26 -4.93 117.35 119.07 2noc s TYR 5 Ca 0.00 1.03 -0.06 0.00 -2.44 0.00 0.00 57.07 55.59 2noc s TYR 5 Cb 0.00 -3.92 -0.02 0.00 0.35 0.00 0.00 41.96 38.37 2noc s TYR 5 CO 0.00 -2.23 0.04 -1.59 -1.34 0.00 0.00 175.55 170.43 2noc s LYS 6 N 7.45 3.49 -0.30 4.97 -2.85 -1.26 -5.05 119.74 126.19 2noc s LYS 6 Ca 0.76 -0.58 -0.10 0.00 -1.00 0.00 0.00 55.97 55.05 2noc s LYS 6 Cb -0.13 -3.25 0.14 0.00 -2.06 0.00 0.00 37.83 32.52 2noc s LYS 6 CO 0.18 -0.23 0.68 0.54 0.10 0.00 0.00 175.35 176.62 2noc s VAL 7 N 1.56 -0.95 -0.38 1.79 0.11 -1.26 -5.12 120.40 116.16 2noc s VAL 7 Ca 0.06 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.12 2noc s VAL 7 Cb -0.15 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.81 2noc s VAL 7 CO 0.02 0.00 0.16 0.00 -3.33 0.00 0.00 175.10 171.95 2noc s MET 8 N 2.85 1.09 0.09 1.54 0.23 -1.26 -5.10 119.30 118.74 2noc s MET 8 Ca -0.05 -1.63 0.03 0.00 -1.03 0.00 0.00 55.69 53.02 2noc s MET 8 Cb -0.11 -2.32 -0.04 0.00 -1.53 0.00 0.00 34.83 30.83 2noc s MET 8 CO -0.19 -1.06 -0.09 -0.48 -2.03 0.00 0.00 175.02 171.17 2noc s LEU 9 N 0.92 2.43 0.00 0.18 0.05 -1.26 -5.11 118.68 115.88 2noc s LEU 9 Ca 0.14 -0.85 0.00 0.00 0.05 0.00 0.00 54.13 53.46 2noc s LEU 9 Cb -0.21 -0.22 0.00 0.00 -2.05 0.00 0.00 46.19 43.71 2noc s LEU 9 CO -0.11 -0.32 0.00 0.61 -0.55 0.00 0.00 176.35 175.98 2noc n GLY 10 N 0.43 0.28 2.77 -3.48 0.00 -1.26 -5.15 105.19 98.79 2noc n GLY 10 Ca -0.15 0.54 -0.17 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.41 -0.25 4.61 0.00 -1.26 -5.12 121.76 119.32 2noc s ALA 11 Ca 0.00 0.28 -0.15 0.00 0.00 0.00 0.00 51.96 52.08 2noc s ALA 11 Cb 0.00 -1.44 0.07 0.00 0.00 0.00 0.00 23.12 21.76 2noc s ALA 11 CO 0.00 -1.28 0.62 -0.48 0.00 0.00 0.00 175.76 174.62 2noc s LEU 12 N 2.36 -0.69 -0.46 0.00 0.05 -1.26 -5.10 118.68 113.58 2noc s LEU 12 Ca 0.08 1.35 0.05 0.00 0.05 0.00 0.00 54.13 55.66 2noc s LEU 12 Cb -0.15 2.13 0.18 0.00 -2.05 0.00 0.00 46.19 46.29 2noc s LEU 12 CO -0.15 -0.23 0.54 0.00 -0.55 0.00 0.00 176.35 175.96 2noc s ALA 13 N 1.42 -0.62 -0.26 1.48 0.00 -1.26 -5.10 121.76 117.42 2noc s ALA 13 Ca -0.09 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.65 2noc s ALA 13 Cb -0.06 -2.22 0.07 0.00 0.00 0.00 0.00 23.12 20.91 2noc s ALA 13 CO -0.16 -2.13 0.01 -0.06 0.00 0.00 0.00 175.76 173.43 2noc s PHE 14 N 0.66 2.11 -0.67 0.00 0.08 -1.26 -5.07 117.98 113.85 2noc s PHE 14 Ca 0.29 -1.72 -0.12 0.00 0.12 0.00 0.00 56.93 55.50 2noc s PHE 14 Cb -0.00 -1.66 0.17 0.00 -0.57 0.00 0.00 43.02 40.96 2noc s PHE 14 CO -0.10 -0.79 0.59 0.08 -0.10 0.00 0.00 175.22 174.89 2noc s VAL 15 N 1.48 5.04 -0.28 -0.44 1.01 -1.26 -5.01 120.40 120.95 2noc s VAL 15 Ca 0.01 -2.16 0.02 0.00 0.00 0.00 0.00 61.98 59.85 2noc s VAL 15 Cb -0.18 -4.19 0.07 0.00 0.00 0.00 0.00 36.38 32.08 2noc s VAL 15 CO -0.12 -0.93 -0.03 -0.69 0.00 0.00 0.00 175.10 173.34 2noc s VAL 16 N 0.72 1.86 -0.37 2.92 1.01 -1.26 -5.03 120.40 120.26 2noc s VAL 16 Ca 0.12 -1.65 0.03 0.00 0.00 0.00 0.00 61.98 60.48 2noc s VAL 16 Cb -0.19 -2.16 0.16 0.00 0.00 0.00 0.00 36.38 34.18 2noc s VAL 16 CO -0.04 -0.26 0.38 -0.89 0.00 0.00 0.00 175.10 174.30 2noc s THR 17 N 1.20 -0.37 -0.07 3.92 2.01 -1.26 -4.96 115.64 116.11 2noc s THR 17 Ca -0.01 -0.91 -0.26 0.00 0.31 0.00 0.00 61.69 60.83 2noc s THR 17 Cb -0.19 -0.67 -0.24 0.00 0.01 0.00 0.00 72.50 71.40 2noc s THR 17 CO -0.08 -0.55 0.99 -0.55 -0.69 0.00 0.00 174.62 173.74 2noc h ASN 18 N 7.16 0.16 -3.81 3.53 -1.07 -2.00 -3.45 115.58 116.10 2noc h ASN 18 Ca 0.04 -0.81 -0.53 0.00 0.07 0.00 0.00 56.30 55.07 2noc h ASN 18 Cb 1.06 -0.05 -0.31 0.00 -2.07 0.00 0.00 38.32 36.95 2noc h ASN 18 CO 0.21 0.94 -0.82 0.54 0.07 0.00 0.00 177.43 178.36 2noc s VAL 19 N -3.00 1.27 -0.33 6.14 0.11 -1.26 -5.10 120.40 118.23 2noc s VAL 19 Ca -0.17 -0.62 -0.00 0.00 -2.93 0.00 0.00 61.98 58.27 2noc s VAL 19 Cb -0.00 -1.11 0.10 0.00 -1.53 0.00 0.00 36.38 33.85 2noc s VAL 19 CO 0.73 0.37 0.11 -0.47 -3.33 0.00 0.00 175.10 172.51 2noc s TYR 20 N 0.16 1.90 -0.26 1.54 5.04 -1.26 -5.08 117.35 119.40 2noc s TYR 20 Ca -0.05 -1.93 -0.09 0.00 -2.44 0.00 0.00 57.07 52.56 2noc s TYR 20 Cb -0.12 -1.83 0.11 0.00 0.35 0.00 0.00 41.96 40.47 2noc s TYR 20 CO 0.02 -0.87 0.57 0.00 -1.34 0.00 0.00 175.55 173.93 2noc s ALA 21 N 1.40 -1.71 -0.52 3.97 0.00 -1.26 -5.10 121.76 118.54 2noc s ALA 21 Ca 0.11 2.05 -0.26 0.00 0.00 0.00 0.00 51.96 53.85 2noc s ALA 21 Cb -0.18 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 2noc s ALA 21 CO -0.20 -0.81 2.22 0.00 0.00 0.00 0.00 175.76 176.96 2noc s ALA 22 N 2.67 1.84 0.25 0.00 0.00 -1.18 -4.59 121.76 120.76 2noc s ALA 22 Ca -0.05 -0.18 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 2noc s ALA 22 Cb -0.11 -4.32 -0.05 0.00 0.00 0.00 0.00 23.12 18.63 2noc s ALA 22 CO -0.17 -4.22 0.51 -2.00 0.00 0.00 0.00 175.76 169.88 2noc s GLU 23 N 7.79 3.63 0.23 0.00 2.56 0.16 -4.83 118.70 128.24 2noc s GLU 23 Ca 0.88 -0.04 -0.02 0.00 0.00 0.00 0.00 54.97 55.79 2noc s GLU 23 Cb -0.16 -2.70 -0.05 0.00 2.00 0.00 0.00 34.13 33.23 2noc s GLU 23 CO 0.25 0.28 0.44 0.42 -0.56 0.00 0.00 175.26 176.08 2noc s ILE 24 N -1.98 5.15 0.03 -3.70 -1.09 -1.26 -0.99 121.20 117.35 2noc s ILE 24 Ca 0.43 -0.23 0.04 0.00 -2.23 0.00 0.00 60.65 58.66 2noc s ILE 24 Cb -0.11 -3.73 -0.02 0.00 -1.58 0.00 0.00 42.46 37.02 2noc s ILE 24 CO 0.28 -0.21 -0.13 -0.04 -1.23 0.00 0.00 174.94 173.61 2noc s MET 25 N -3.38 0.92 0.44 2.79 -1.94 -1.25 -4.96 119.30 111.92 2noc s MET 25 Ca 0.40 -0.67 -0.17 0.00 -1.71 0.00 0.00 55.69 53.55 2noc s MET 25 Cb -0.11 -0.91 -0.09 0.00 2.01 0.00 0.00 34.83 35.73 2noc s MET 25 CO 0.29 0.23 0.89 0.15 -0.01 0.00 0.00 175.02 176.58 2noc s LYS 26 N -0.92 4.02 0.28 2.03 1.02 -1.26 -4.88 119.74 120.03 2noc s LYS 26 Ca 0.02 0.87 -0.01 0.00 0.02 0.00 0.00 55.97 56.87 2noc s LYS 26 Cb -0.07 -2.25 0.46 0.00 -0.52 0.00 0.00 37.83 35.45 2noc s LYS 26 CO 0.01 -0.08 1.90 -0.22 -0.92 0.00 0.00 175.35 176.04 2noc h LYS 27 N 1.52 1.09 -0.34 1.68 3.64 -2.00 0.65 116.57 122.81 2noc h LYS 27 Ca -0.48 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 2noc h LYS 27 Cb 1.18 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 2noc h LYS 27 CO 0.62 0.72 0.22 1.79 -2.27 0.00 0.00 179.45 180.54 2noc h THR 28 N 1.12 1.09 -0.44 1.00 1.35 -2.00 0.15 112.91 115.18 2noc h THR 28 Ca 0.40 -0.18 -0.14 0.00 -0.55 0.00 0.00 66.41 65.94 2noc h THR 28 Cb 0.14 0.60 -0.01 0.00 -1.73 0.00 0.00 68.15 67.15 2noc h THR 28 CO -0.15 0.09 -0.28 0.44 -0.25 0.00 0.00 175.52 175.37 2noc h ASP 29 N 0.46 1.01 -0.50 5.36 3.32 -1.76 -3.04 116.42 121.28 2noc h ASP 29 Ca 0.12 -0.42 0.06 0.00 0.02 0.00 0.00 57.03 56.82 2noc h ASP 29 Cb -0.04 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.17 2noc h ASP 29 CO -0.03 1.22 0.19 0.15 -1.72 0.00 0.00 179.24 179.05 2noc h PHE 30 N 0.82 0.33 -0.12 4.55 3.57 0.94 0.53 116.94 127.57 2noc h PHE 30 Ca 0.09 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 2noc h PHE 30 Cb 0.87 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 2noc h PHE 30 CO 0.06 0.12 -0.30 -0.44 -2.23 0.00 0.00 178.31 175.51 2noc h ASP 31 N 0.37 0.22 0.01 0.41 3.32 -0.73 0.50 116.42 120.51 2noc h ASP 31 Ca 0.24 -0.07 -0.21 0.00 0.02 0.00 0.00 57.03 57.01 2noc h ASP 31 Cb 0.24 -0.06 0.02 0.00 0.22 0.00 0.00 39.33 39.75 2noc h ASP 31 CO -0.23 0.52 -0.82 0.11 -1.72 0.00 0.00 179.24 177.10 2noc h LYS 32 N 0.19 0.53 0.00 3.56 6.56 -1.17 -3.26 116.57 122.99 2noc h LYS 32 Ca 0.03 -0.59 0.00 0.00 -1.06 0.00 0.00 60.65 59.03 2noc h LYS 32 Cb 0.64 0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.47 2noc h LYS 32 CO 0.05 1.21 -0.03 1.33 -2.06 0.00 0.00 179.45 179.94 2noc n VAL 33 N -4.05 0.24 0.32 0.50 0.24 0.18 -2.45 118.33 113.32 2noc n VAL 33 Ca -0.11 -0.12 0.22 0.00 -2.04 0.00 0.00 64.34 62.29 2noc n VAL 33 Cb 0.78 -0.50 1.09 0.00 -1.47 0.00 0.00 33.84 33.74 2noc n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2noc h ALA 34 N 2.80 1.00 0.00 2.33 0.00 -0.93 0.14 119.26 124.60 2noc h ALA 34 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2noc h ALA 34 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2noc h ALA 34 CO 0.00 0.00 -0.74 1.03 0.00 0.00 0.00 179.25 179.54 2noc h SER 35 N 0.00 0.00 -0.19 0.00 0.87 -1.64 -3.33 113.55 109.26 2noc h SER 35 Ca -0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2noc h SER 35 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2noc h SER 35 CO 0.00 0.08 0.00 -0.62 -0.53 0.00 0.00 176.83 175.76 2noc n GLU 36 N -2.28 2.18 -4.41 2.24 1.02 -0.04 -4.83 120.64 114.53 2noc n GLU 36 Ca 0.02 -1.66 -0.25 0.00 -0.02 0.00 0.00 57.16 55.26 2noc n GLU 36 Cb 0.47 -1.18 -0.07 0.00 -0.02 0.00 0.00 31.44 30.63 2noc n GLU 36 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2noc n TYR 37 N 0.29 -0.04 -3.74 -0.32 4.02 0.30 -1.97 117.16 115.70 2noc n TYR 37 Ca 0.07 -2.69 -0.14 0.00 -0.01 0.00 0.00 57.90 55.13 2noc n TYR 37 Cb 0.33 0.05 -0.15 0.00 -0.02 0.00 0.00 39.34 39.55 2noc n TYR 37 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2noc s THR 38 N -3.16 -0.07 0.17 -0.72 2.01 0.15 -4.76 115.64 109.26 2noc s THR 38 Ca 0.25 0.21 -0.31 0.00 0.31 0.00 0.00 61.69 62.14 2noc s THR 38 Cb 0.01 -0.21 -0.10 0.00 0.01 0.00 0.00 72.50 72.22 2noc s THR 38 CO 0.17 0.09 1.56 -0.75 -0.69 0.00 0.00 174.62 175.00 2noc s LYS 39 N 1.27 4.22 0.00 4.92 2.47 -1.26 -0.23 119.74 131.12 2noc s LYS 39 Ca -0.08 2.36 0.05 0.00 -1.56 0.00 0.00 55.97 56.74 2noc s LYS 39 Cb -0.12 -3.15 -0.02 0.00 -1.46 0.00 0.00 37.83 33.09 2noc s LYS 39 CO -0.05 -0.59 0.35 0.44 0.16 0.00 0.00 175.35 175.66 2noc n ILE 40 N 3.80 0.00 0.00 5.43 -5.35 -1.18 -4.88 119.36 117.18 2noc n ILE 40 Ca 0.13 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 2noc n ILE 40 Cb 0.39 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 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 0.81 3.25 3.77 3.28 0.00 -1.25 -5.07 105.19 109.97 2noc n GLY 41 Ca 0.02 -1.79 -0.28 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.04 4.40 0.26 2.61 2.01 -1.26 -2.68 115.64 118.94 2noc s THR 42 Ca 0.00 -0.98 0.07 0.00 0.31 0.00 0.00 61.69 61.09 2noc s THR 42 Cb 0.00 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 2noc s THR 42 CO 0.00 0.00 -0.08 0.27 -0.69 0.00 0.00 174.62 174.12 2noc s ILE 43 N -1.57 1.71 0.15 1.82 -4.36 0.66 -4.99 121.20 114.62 2noc s ILE 43 Ca 0.30 -2.16 -0.20 0.00 -0.26 0.00 0.00 60.65 58.33 2noc s ILE 43 Cb -0.11 -2.35 0.05 0.00 1.25 0.00 0.00 42.46 41.30 2noc s ILE 43 CO 0.22 -0.37 0.52 -0.94 0.24 0.00 0.00 174.94 174.60 2noc s SER 44 N -3.42 -0.40 -0.13 4.36 1.04 -1.26 -0.39 113.70 113.50 2noc s SER 44 Ca 0.28 -0.18 -0.01 0.00 0.48 0.00 0.00 55.95 56.53 2noc s SER 44 Cb 0.02 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 2noc s SER 44 CO 0.11 -0.94 -0.11 0.42 0.98 0.00 0.00 173.24 173.70 2noc s THR 45 N -3.78 3.20 -0.22 2.02 -4.23 0.14 -4.99 115.64 107.78 2noc s THR 45 Ca 0.03 -0.61 -0.06 0.00 -1.18 0.00 0.00 61.69 59.86 2noc s THR 45 Cb 0.00 -2.35 0.10 0.00 1.34 0.00 0.00 72.50 71.59 2noc s THR 45 CO -0.11 0.52 0.44 -0.89 -0.54 0.00 0.00 174.62 174.04 2noc s THR 46 N 0.29 -0.69 0.00 3.99 2.01 -1.26 -2.84 115.64 117.14 2noc s THR 46 Ca -0.09 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.03 2noc s THR 46 Cb -0.15 -0.73 0.00 0.00 0.01 0.00 0.00 72.50 71.63 2noc s THR 46 CO 0.05 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.62 2noc n GLY 47 N 5.39 -0.56 2.65 4.40 0.00 -1.19 -5.06 105.19 110.83 2noc n GLY 47 Ca -0.08 0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2noc n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2noc s GLU 48 N 0.00 0.55 0.32 1.61 2.02 -1.26 -4.64 118.70 117.30 2noc s GLU 48 Ca 0.00 -0.95 -0.04 0.00 0.02 0.00 0.00 54.97 54.00 2noc s GLU 48 Cb 0.00 -1.69 0.02 0.00 0.10 0.00 0.00 34.13 32.56 2noc s GLU 48 CO 0.00 -1.02 0.48 -1.33 0.02 0.00 0.00 175.26 173.41 2noc n MET 49 N 4.88 0.69 -3.76 1.61 2.81 -1.26 -5.14 117.12 116.96 2noc n MET 49 Ca -0.02 -2.36 -0.35 0.00 -1.81 0.00 0.00 57.70 53.17 2noc n MET 49 Cb 0.41 2.38 -0.05 0.00 -0.71 0.00 0.00 33.22 35.25 2noc n MET 49 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2noc s SER 50 N -2.89 6.50 0.12 7.83 1.04 -1.26 -4.80 113.70 120.24 2noc s SER 50 Ca 0.23 0.57 -0.23 0.00 0.48 0.00 0.00 55.95 56.99 2noc s SER 50 Cb -0.02 -2.09 -0.06 0.00 0.10 0.00 0.00 66.02 63.96 2noc s SER 50 CO 0.17 0.26 1.67 -0.65 0.98 0.00 0.00 173.24 175.67 2noc h PRO 51 N 4.03 -0.21 -0.59 4.02 0.11 -1.85 0.38 132.00 137.89 2noc h PRO 51 Ca -0.50 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2noc h PRO 51 Cb 1.20 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 2noc h PRO 51 CO 0.66 -0.14 0.22 -0.07 -0.21 0.00 0.00 178.00 178.46 2noc h LEU 52 N -0.22 0.79 -0.71 2.35 3.38 -1.96 0.12 115.31 119.07 2noc h LEU 52 Ca 0.06 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 2noc h LEU 52 Cb 0.31 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2noc h LEU 52 CO -0.17 0.72 -0.47 0.44 0.09 0.00 0.00 178.44 179.05 2noc h ASP 53 N 0.85 0.46 -0.51 -0.43 3.32 -1.78 -0.63 116.42 117.71 2noc h ASP 53 Ca 0.20 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 2noc h ASP 53 Cb 0.19 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2noc h ASP 53 CO -0.02 0.86 -0.01 0.00 -1.72 0.00 0.00 179.24 178.36 2noc h ALA 54 N 1.16 0.95 0.27 3.45 0.00 0.48 0.16 119.26 125.72 2noc h ALA 54 Ca 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2noc h ALA 54 Cb 0.95 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2noc h ALA 54 CO 0.08 0.63 -0.16 0.00 0.00 0.00 0.00 179.25 179.80 2noc h ARG 55 N 0.87 -0.40 -0.75 0.00 3.08 -0.45 0.13 114.38 116.87 2noc h ARG 55 Ca 0.16 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.32 2noc h ARG 55 Cb 0.52 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.60 2noc h ARG 55 CO 0.03 -0.26 0.42 1.49 -1.07 0.00 0.00 179.97 180.57 2noc h GLU 56 N -0.41 0.72 -0.33 0.04 4.22 -0.88 0.15 114.58 118.09 2noc h GLU 56 Ca -0.03 -0.04 -0.12 0.00 0.08 0.00 0.00 59.36 59.25 2noc h GLU 56 Cb 0.34 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2noc h GLU 56 CO 0.03 0.47 -0.30 0.22 -2.18 0.00 0.00 179.01 177.26 2noc h ASP 57 N 0.74 0.72 0.06 1.04 3.58 -0.44 0.44 116.42 122.54 2noc h ASP 57 Ca 0.35 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 2noc h ASP 57 Cb 0.28 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2noc h ASP 57 CO -0.22 0.97 -0.03 -0.07 -2.88 0.00 0.00 179.24 177.01 2noc h LEU 58 N 0.59 -0.06 -1.11 2.28 3.38 0.15 0.18 115.31 120.72 2noc h LEU 58 Ca 0.07 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 2noc h LEU 58 Cb 0.81 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2noc h LEU 58 CO 0.07 0.25 0.19 0.40 0.09 0.00 0.00 178.44 179.43 2noc h ILE 59 N -0.38 1.21 -0.03 1.22 2.04 -0.63 0.29 117.51 121.23 2noc h ILE 59 Ca -0.01 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 2noc h ILE 59 Cb 0.34 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2noc h ILE 59 CO 0.01 0.27 -0.02 0.50 0.00 0.00 0.00 178.15 178.92 2noc h LYS 60 N 0.80 0.06 -0.34 2.37 3.64 -0.85 -2.44 116.57 119.80 2noc h LYS 60 Ca 0.19 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.43 2noc h LYS 60 Cb 0.21 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2noc h LYS 60 CO -0.01 0.48 -0.22 -0.22 -2.27 0.00 0.00 179.45 177.20 2noc h LYS 61 N -0.36 0.67 -0.38 1.90 3.64 -0.22 0.19 116.57 122.00 2noc h LYS 61 Ca 0.01 -0.26 0.05 0.00 -1.27 0.00 0.00 60.65 59.18 2noc h LYS 61 Cb 0.46 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 2noc h LYS 61 CO 0.00 0.84 0.10 0.00 -2.27 0.00 0.00 179.45 178.12 2noc h ALA 62 N 1.17 0.43 -0.48 5.00 0.00 -0.50 0.57 119.26 125.46 2noc h ALA 62 Ca 0.08 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2noc h ALA 62 Cb 0.70 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2noc h ALA 62 CO 0.05 -0.30 0.12 0.22 0.00 0.00 0.00 179.25 179.34 2noc h ASP 63 N 0.23 0.66 -0.32 0.00 1.82 -0.79 0.60 116.42 118.63 2noc h ASP 63 Ca 0.18 -0.10 -0.13 0.00 -0.39 0.00 0.00 57.03 56.59 2noc h ASP 63 Cb 0.20 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.02 2noc h ASP 63 CO -0.22 0.65 -0.28 -0.33 -1.61 0.00 0.00 179.24 177.45 2noc h GLU 64 N 0.69 0.83 0.00 0.28 5.08 -0.06 -3.01 114.58 118.39 2noc h GLU 64 Ca 0.16 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 2noc h GLU 64 Cb 0.25 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2noc h GLU 64 CO -0.00 1.00 -0.31 -0.22 -1.00 0.00 0.00 179.01 178.48 2noc h LYS 65 N 0.70 0.00 0.00 2.33 3.64 0.84 -3.47 116.57 120.62 2noc h LYS 65 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2noc h LYS 65 Cb 0.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2noc h LYS 65 CO 0.07 0.31 0.00 0.41 -2.27 0.00 0.00 179.45 177.97 2noc n GLY 66 N 0.14 1.73 3.88 5.01 0.00 -0.42 -5.08 105.19 110.46 2noc n GLY 66 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 3.68 -0.10 4.61 0.00 0.07 -4.70 121.76 123.31 2noc s ALA 67 Ca 0.00 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.62 2noc s ALA 67 Cb 0.00 -2.29 -0.10 0.00 0.00 0.00 0.00 23.12 20.72 2noc s ALA 67 CO 0.00 0.58 -0.02 -3.47 0.00 0.00 0.00 175.76 172.85 2noc n ASP 68 N 0.10 2.79 -4.18 0.00 2.03 0.38 -4.41 116.55 113.27 2noc n ASP 68 Ca -0.02 -0.02 -0.24 0.00 0.52 0.00 0.00 54.79 55.02 2noc n ASP 68 Cb 0.52 0.39 -0.15 0.00 -0.72 0.00 0.00 41.12 41.16 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 -2.24 1.40 0.02 5.18 1.01 -0.57 0.37 120.40 125.57 2noc s VAL 69 Ca -0.09 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.11 2noc s VAL 69 Cb 0.03 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 2noc s VAL 69 CO 0.35 0.31 -0.23 0.68 0.00 0.00 0.00 175.10 176.21 2noc s VAL 70 N -0.53 1.85 -0.34 2.92 -7.23 -0.16 -0.71 120.40 116.20 2noc s VAL 70 Ca 0.06 -1.15 0.01 0.00 -1.81 0.00 0.00 61.98 59.10 2noc s VAL 70 Cb -0.07 -1.57 0.09 0.00 0.56 0.00 0.00 36.38 35.39 2noc s VAL 70 CO 0.00 0.38 0.06 -0.69 -0.31 0.00 0.00 175.10 174.54 2noc s VAL 71 N -0.68 2.62 -1.12 1.32 1.01 0.64 -3.96 120.40 120.24 2noc s VAL 71 Ca 0.09 -2.02 -0.21 0.00 0.00 0.00 0.00 61.98 59.83 2noc s VAL 71 Cb -0.09 -2.77 0.04 0.00 0.00 0.00 0.00 36.38 33.56 2noc s VAL 71 CO 0.01 -0.46 1.61 -0.76 0.00 0.00 0.00 175.10 175.49 2noc s LEU 72 N 1.04 3.57 0.34 3.92 1.43 -1.26 -1.14 118.68 126.58 2noc s LEU 72 Ca 0.05 -1.75 0.25 0.00 -1.03 0.00 0.00 54.13 51.66 2noc s LEU 72 Cb -0.20 -2.57 0.70 0.00 0.03 0.00 0.00 46.19 44.15 2noc s LEU 72 CO -0.06 -1.56 1.73 0.71 0.23 0.00 0.00 176.35 177.41 2noc h THR 73 N 6.38 0.00 -1.79 5.49 1.35 -1.92 -3.46 112.91 118.97 2noc h THR 73 Ca 0.28 -0.66 -0.67 0.00 -0.55 0.00 0.00 66.41 64.81 2noc h THR 73 Cb 0.96 1.63 0.04 0.00 -1.73 0.00 0.00 68.15 69.05 2noc h THR 73 CO 1.41 0.00 0.72 -1.54 -0.25 0.00 0.00 175.52 175.86 2noc n SER 74 N -2.67 2.33 0.00 5.36 3.41 0.11 -4.81 113.62 117.34 2noc n SER 74 Ca 0.04 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.73 2noc n SER 74 Cb 0.44 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 2noc n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2noc n GLY 75 N 3.38 0.29 2.23 5.00 0.00 -1.26 -4.90 105.19 109.93 2noc n GLY 75 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2noc n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2noc n GLN 76 N -0.23 0.00 -2.95 1.61 7.27 -1.26 -5.11 117.38 116.71 2noc n GLN 76 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.01 2noc n GLN 76 Cb 0.00 0.00 0.01 0.00 2.41 0.00 0.00 30.24 32.66 2noc n GLN 76 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2noc n THR 77 N -3.44 -8.50 0.07 1.69 -1.04 -1.26 -4.72 114.28 97.08 2noc n THR 77 Ca 0.00 1.13 0.07 0.00 -2.04 0.00 0.00 64.05 63.22 2noc n THR 77 Cb 0.00 -5.67 -0.04 0.00 -1.82 0.00 0.00 70.33 62.80 2noc n THR 77 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2noc n GLU 78 N 0.55 0.62 0.00 -2.82 1.02 -1.26 -2.48 120.64 116.27 2noc n GLU 78 Ca 0.01 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 2noc n GLU 78 Cb 0.29 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 2noc n GLU 78 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2noc n ASN 79 N -2.72 0.00 -0.25 1.62 2.85 -1.26 -4.40 115.26 111.10 2noc n ASN 79 Ca -0.04 0.82 0.00 0.00 -0.11 0.00 0.00 54.58 55.25 2noc n ASN 79 Cb 0.65 -0.32 0.00 0.00 1.24 0.00 0.00 39.78 41.35 2noc n ASN 79 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2noc n LYS 80 N -2.10 0.00 -1.16 1.20 2.85 -1.26 -5.01 118.16 112.68 2noc n LYS 80 Ca 0.00 -0.60 0.00 0.00 -1.05 0.00 0.00 58.31 56.66 2noc n LYS 80 Cb 0.00 -0.40 0.00 0.00 -0.65 0.00 0.00 35.03 33.98 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 0.00 -2.27 -1.97 0.58 5.41 -1.03 -3.17 119.36 116.90 2noc n ILE 81 Ca 0.00 1.12 -0.05 0.00 1.00 0.00 0.00 62.75 64.82 2noc n ILE 81 Cb 0.58 -1.83 -0.04 0.00 -0.71 0.00 0.00 39.64 37.65 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 -2.23 -0.17 -2.21 1.39 -0.00 -1.13 -4.28 115.22 106.59 2noc n HIS 82 Ca 0.00 -0.49 -0.40 0.00 0.46 0.00 0.00 57.72 57.29 2noc n HIS 82 Cb 0.33 0.54 -0.02 0.00 -0.12 0.00 0.00 29.99 30.72 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 -0.79 2.95 0.10 1.57 0.00 -1.15 -4.72 107.32 105.28 2noc s GLY 83 Ca 0.01 1.11 0.10 0.00 0.00 0.00 0.00 44.72 45.94 2noc s GLY 83 CO -0.01 1.70 -0.23 -1.59 0.00 0.00 0.00 173.10 172.97 2noc s THR 84 N -1.26 2.49 -0.04 0.90 2.01 -1.26 -0.68 115.64 117.80 2noc s THR 84 Ca 0.53 -1.56 -0.02 0.00 0.31 0.00 0.00 61.69 60.94 2noc s THR 84 Cb -0.35 -2.09 0.03 0.00 0.01 0.00 0.00 72.50 70.09 2noc s THR 84 CO 0.46 0.16 0.09 0.00 -0.69 0.00 0.00 174.62 174.64 2noc s ALA 85 N -1.03 -0.14 -0.22 7.40 0.00 0.48 0.04 121.76 128.28 2noc s ALA 85 Ca 0.15 0.44 -0.05 0.00 0.00 0.00 0.00 51.96 52.50 2noc s ALA 85 Cb -0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 2noc s ALA 85 CO 0.07 -0.11 0.01 0.34 0.00 0.00 0.00 175.76 176.06 2noc s ASP 86 N 0.85 4.78 0.17 0.00 2.15 -0.29 -0.24 116.67 124.08 2noc s ASP 86 Ca -0.07 -0.25 0.09 0.00 0.43 0.00 0.00 52.55 52.76 2noc s ASP 86 Cb -0.09 -1.83 -0.04 0.00 -0.30 0.00 0.00 42.92 40.66 2noc s ASP 86 CO -0.03 0.02 -0.14 0.27 -0.17 0.00 0.00 175.17 175.12 2noc s ILE 87 N 1.26 2.97 0.09 4.11 -4.36 -1.09 -0.26 121.20 123.91 2noc s ILE 87 Ca 0.04 -1.71 0.05 0.00 -0.26 0.00 0.00 60.65 58.76 2noc s ILE 87 Cb -0.15 -2.45 -0.03 0.00 1.25 0.00 0.00 42.46 41.08 2noc s ILE 87 CO 0.01 -0.08 -0.12 -0.31 0.24 0.00 0.00 174.94 174.68 2noc s TYR 88 N -1.62 1.18 0.06 1.37 1.51 0.11 -3.09 117.35 116.87 2noc s TYR 88 Ca 0.23 -0.56 0.04 0.00 -1.01 0.00 0.00 57.07 55.77 2noc s TYR 88 Cb -0.09 -0.64 -0.04 0.00 -0.11 0.00 0.00 41.96 41.08 2noc s TYR 88 CO 0.13 0.05 -0.02 -1.59 -1.11 0.00 0.00 175.55 173.02 2noc s LYS 89 N -2.39 2.55 0.65 -0.62 -2.85 0.68 -0.47 119.74 117.29 2noc s LYS 89 Ca 0.03 -0.80 -0.14 0.00 -1.00 0.00 0.00 55.97 54.06 2noc s LYS 89 Cb -0.06 -2.54 -0.01 0.00 -2.06 0.00 0.00 37.83 33.16 2noc s LYS 89 CO 0.02 0.56 1.07 -1.59 0.10 0.00 0.00 175.35 175.51 2noc s LYS 90 N -2.06 3.02 0.70 1.78 -2.85 -1.26 0.34 119.74 119.41 2noc s LYS 90 Ca 0.23 1.19 -0.01 0.00 -1.00 0.00 0.00 55.97 56.39 2noc s LYS 90 Cb -0.12 -1.99 0.12 0.00 -2.06 0.00 0.00 37.83 33.78 2noc s LYS 90 CO 0.15 -1.05 0.97 0.15 0.10 0.00 0.00 175.35 175.67 2noc s LYS 91 N -4.35 1.79 0.00 1.78 1.02 -0.83 -4.71 119.74 114.44 2noc s LYS 91 Ca 0.63 -1.06 0.15 0.00 0.02 0.00 0.00 55.97 55.71 2noc s LYS 91 Cb -0.17 -2.35 0.31 0.00 -0.52 0.00 0.00 37.83 35.10 2noc s LYS 91 CO 0.43 -1.36 1.21 1.47 -0.92 0.00 0.00 175.35 176.18 2noc n LEU 92 N -2.78 2.89 0.00 3.17 -0.00 -1.26 -4.90 117.00 114.11 2noc n LEU 92 Ca 0.14 -1.62 0.00 0.00 -0.00 0.00 0.00 56.01 54.54 2noc n LEU 92 Cb 0.60 -0.20 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 2noc n LEU 92 CO 0.43 0.66 0.00 -0.62 -0.00 0.00 0.00 177.39 177.86 2noc n GLU 93 N 0.88 0.00 -1.74 1.47 1.02 -1.26 -5.03 120.64 115.98 2noc n GLU 93 Ca 0.13 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.87 2noc n GLU 93 Cb 0.45 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.88 2noc n GLU 93 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2noc n HIS 94 N 0.00 2.53 -3.21 -0.32 8.25 -1.26 -5.01 115.22 116.20 2noc n HIS 94 Ca 0.00 0.46 0.04 0.00 -0.26 0.00 0.00 57.72 57.97 2noc n HIS 94 Cb 0.00 -2.44 -0.02 0.00 1.12 0.00 0.00 29.99 28.65 2noc n HIS 94 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2noc s HIS 95 N -1.19 -0.67 0.18 4.41 -3.43 -1.26 -4.61 115.29 108.73 2noc s HIS 95 Ca 0.60 0.82 -0.20 0.00 -0.80 0.00 0.00 55.06 55.48 2noc s HIS 95 Cb -0.47 0.27 0.12 0.00 -1.43 0.00 0.00 32.58 31.07 2noc s HIS 95 CO 0.58 -0.36 1.61 0.45 -2.00 0.00 0.00 174.74 175.03 2noc h HIS 96 N 7.85 -0.67 0.00 0.38 3.86 -1.95 -3.44 115.15 121.19 2noc h HIS 96 Ca -0.15 0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 2noc h HIS 96 Cb 1.16 0.36 0.00 0.00 1.06 0.00 0.00 27.41 29.99 2noc h HIS 96 CO 0.11 -0.33 0.00 -2.39 0.86 0.00 0.00 177.93 176.18 2noc n HIS 97 N -5.41 0.00 0.00 2.45 1.44 -1.26 -4.97 115.22 107.47 2noc n HIS 97 Ca 0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 2noc n HIS 97 Cb 0.32 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.43 2noc n HIS 97 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2noc n HIS 98 N -0.17 -1.18 -1.33 -1.40 -0.00 -1.26 -5.21 115.22 104.67 2noc n HIS 98 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2noc n HIS 98 Cb 0.00 0.24 0.00 0.00 -0.12 0.00 0.00 29.99 30.11 2noc n HIS 98 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41