#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 3.26 -0.04 0.03 1.02 -1.26 -4.97 119.74 117.78 2noc s LYS 2 Ca 0.00 0.76 -0.27 0.00 0.02 0.00 0.00 55.97 56.48 2noc s LYS 2 Cb 0.00 -4.16 -0.03 0.00 -0.52 0.00 0.00 37.83 33.12 2noc s LYS 2 CO 0.00 -1.97 0.84 -0.08 -0.92 0.00 0.00 175.35 173.22 2noc s THR 3 N 6.56 4.96 -0.35 2.17 -1.32 -1.26 -5.02 115.64 121.38 2noc s THR 3 Ca 0.62 1.75 0.00 0.00 -1.21 0.00 0.00 61.69 62.85 2noc s THR 3 Cb -0.14 -4.18 0.14 0.00 -1.51 0.00 0.00 72.50 66.81 2noc s THR 3 CO 0.28 0.20 0.23 -0.83 -2.21 0.00 0.00 174.62 172.29 2noc s GLY 4 N 0.91 0.65 -0.30 6.08 0.00 -1.26 -5.07 107.32 108.33 2noc s GLY 4 Ca 0.45 -1.62 -0.11 0.00 0.00 0.00 0.00 44.72 43.43 2noc s GLY 4 CO 0.23 2.21 0.85 -0.47 0.00 0.00 0.00 173.10 175.92 2noc s TYR 5 N 1.24 -0.98 -0.45 1.90 5.04 -1.26 -5.11 117.35 117.72 2noc s TYR 5 Ca 0.17 1.45 0.05 0.00 -2.44 0.00 0.00 57.07 56.30 2noc s TYR 5 Cb -0.21 0.50 0.18 0.00 0.35 0.00 0.00 41.96 42.77 2noc s TYR 5 CO -0.03 -0.50 0.51 -1.59 -1.34 0.00 0.00 175.55 172.60 2noc s LYS 6 N 2.71 0.94 -0.30 4.97 -2.85 -1.26 -5.10 119.74 118.85 2noc s LYS 6 Ca 0.01 -1.49 -0.16 0.00 -1.00 0.00 0.00 55.97 53.32 2noc s LYS 6 Cb -0.10 -0.74 0.21 0.00 -2.06 0.00 0.00 37.83 35.15 2noc s LYS 6 CO -0.17 -1.34 1.27 0.54 0.10 0.00 0.00 175.35 175.75 2noc s VAL 7 N 0.59 -0.00 -0.23 1.79 0.11 -1.26 -5.15 120.40 116.26 2noc s VAL 7 Ca 0.29 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.31 2noc s VAL 7 Cb -0.00 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.97 2noc s VAL 7 CO -0.11 0.00 0.33 -0.32 -3.33 0.00 0.00 175.10 171.67 2noc s MET 8 N 1.11 0.30 0.46 1.54 0.00 -1.26 -5.15 119.30 116.29 2noc s MET 8 Ca -0.07 0.49 0.02 0.00 0.00 0.00 0.00 55.69 56.12 2noc s MET 8 Cb -0.02 -0.60 -0.01 0.00 0.00 0.00 0.00 34.83 34.20 2noc s MET 8 CO -0.10 -0.61 0.06 1.28 0.00 0.00 0.00 175.02 175.65 2noc n LEU 9 N 5.35 0.00 -0.87 4.11 4.77 -1.26 -4.93 117.00 124.17 2noc n LEU 9 Ca -0.04 -3.09 0.00 0.00 -0.03 0.00 0.00 56.01 52.85 2noc n LEU 9 Cb 0.50 0.62 0.00 0.00 -2.33 0.00 0.00 43.42 42.21 2noc n LEU 9 CO 0.06 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.28 2noc n GLY 10 N -0.84 0.48 3.37 -0.72 0.00 -1.26 -5.04 105.19 101.19 2noc n GLY 10 Ca -0.14 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.70 3.53 -0.01 4.61 0.00 -1.26 -5.03 121.76 120.90 2noc s ALA 11 Ca 0.00 -2.13 -0.19 0.00 0.00 0.00 0.00 51.96 49.64 2noc s ALA 11 Cb 0.00 -3.03 0.03 0.00 0.00 0.00 0.00 23.12 20.13 2noc s ALA 11 CO 0.00 -1.73 0.40 -0.48 0.00 0.00 0.00 175.76 173.96 2noc s LEU 12 N 1.61 0.46 -0.15 0.00 2.34 -1.26 -5.16 118.68 116.52 2noc s LEU 12 Ca 0.04 0.20 -0.08 0.00 0.06 0.00 0.00 54.13 54.35 2noc s LEU 12 Cb -0.24 1.61 0.06 0.00 -0.56 0.00 0.00 46.19 47.06 2noc s LEU 12 CO 0.06 -0.52 0.36 0.00 -1.06 0.00 0.00 176.35 175.19 2noc s ALA 13 N -1.52 -0.90 -0.07 1.48 0.00 -1.26 -5.14 121.76 114.35 2noc s ALA 13 Ca -0.11 1.36 -0.03 0.00 0.00 0.00 0.00 51.96 53.18 2noc s ALA 13 Cb -0.03 -0.87 0.04 0.00 0.00 0.00 0.00 23.12 22.26 2noc s ALA 13 CO 0.04 -0.28 0.11 -0.59 0.00 0.00 0.00 175.76 175.04 2noc s PHE 14 N 1.45 -0.07 -0.05 0.00 -0.71 -1.26 -5.14 117.98 112.21 2noc s PHE 14 Ca -0.09 0.43 -0.31 0.00 -1.04 0.00 0.00 56.93 55.92 2noc s PHE 14 Cb -0.09 -0.37 0.12 0.00 -1.21 0.00 0.00 43.02 41.47 2noc s PHE 14 CO -0.11 -0.24 1.21 0.54 -1.34 0.00 0.00 175.22 175.28 2noc s VAL 15 N 2.24 0.00 -0.05 -2.49 0.11 -1.26 -5.10 120.40 113.84 2noc s VAL 15 Ca 0.04 -0.19 -0.01 0.00 -2.93 0.00 0.00 61.98 58.89 2noc s VAL 15 Cb -0.12 -1.65 0.00 0.00 -1.53 0.00 0.00 36.38 33.08 2noc s VAL 15 CO -0.05 0.00 0.03 0.52 -3.33 0.00 0.00 175.10 172.27 2noc n VAL 16 N -0.36 -3.47 -4.11 2.04 0.31 -1.26 -5.07 118.33 106.40 2noc n VAL 16 Ca -0.06 0.24 -0.32 0.00 -0.01 0.00 0.00 64.34 64.19 2noc n VAL 16 Cb 0.61 -4.46 -0.16 0.00 -0.91 0.00 0.00 33.84 28.92 2noc n VAL 16 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2noc s THR 17 N -0.55 1.86 -1.07 2.52 -4.23 -1.26 -5.07 115.64 107.85 2noc s THR 17 Ca 0.01 -0.82 -0.14 0.00 -1.18 0.00 0.00 61.69 59.56 2noc s THR 17 Cb -0.00 -1.70 0.18 0.00 1.34 0.00 0.00 72.50 72.32 2noc s THR 17 CO 0.12 0.51 1.21 0.20 -0.54 0.00 0.00 174.62 176.12 2noc s ASN 18 N 1.34 6.95 -0.04 3.99 0.01 -1.26 -4.99 114.94 120.93 2noc s ASN 18 Ca 0.04 -2.80 -0.22 0.00 -0.71 0.00 0.00 52.86 49.18 2noc s ASN 18 Cb -0.13 -2.34 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 2noc s ASN 18 CO -0.11 -0.74 0.65 0.54 -1.51 0.00 0.00 177.10 175.93 2noc s VAL 19 N 1.23 4.99 0.08 1.60 0.11 -1.26 -5.07 120.40 122.08 2noc s VAL 19 Ca 0.35 1.35 0.09 0.00 -2.93 0.00 0.00 61.98 60.84 2noc s VAL 19 Cb -0.05 -3.99 -0.03 0.00 -1.53 0.00 0.00 36.38 30.77 2noc s VAL 19 CO -0.05 0.32 -0.24 -0.72 -3.33 0.00 0.00 175.10 171.08 2noc s TYR 20 N 0.41 2.04 -0.27 1.54 -0.85 -1.26 -5.10 117.35 113.86 2noc s TYR 20 Ca 0.34 -0.40 -0.05 0.00 -0.52 0.00 0.00 57.07 56.45 2noc s TYR 20 Cb -0.18 -1.16 0.14 0.00 0.38 0.00 0.00 41.96 41.14 2noc s TYR 20 CO 0.17 0.19 0.54 0.00 -1.52 0.00 0.00 175.55 174.93 2noc s ALA 21 N -0.96 -1.77 -0.41 9.51 0.00 -1.26 -5.04 121.76 121.82 2noc s ALA 21 Ca 0.10 1.74 -0.28 0.00 0.00 0.00 0.00 51.96 53.52 2noc s ALA 21 Cb -0.10 -1.81 -0.08 0.00 0.00 0.00 0.00 23.12 21.14 2noc s ALA 21 CO 0.04 -1.10 2.35 0.00 0.00 0.00 0.00 175.76 177.05 2noc n ALA 22 N 5.42 1.12 -2.36 0.00 0.00 -1.21 -4.63 120.51 118.85 2noc n ALA 22 Ca -0.06 -0.60 -0.30 0.00 0.00 0.00 0.00 53.44 52.48 2noc n ALA 22 Cb 0.50 -3.01 -0.14 0.00 0.00 0.00 0.00 19.45 16.79 2noc n ALA 22 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2noc s GLU 23 N 7.51 1.85 -0.05 0.00 2.56 0.13 -4.90 118.70 125.81 2noc s GLU 23 Ca 1.02 -1.08 -0.26 0.00 0.00 0.00 0.00 54.97 54.64 2noc s GLU 23 Cb -0.34 -2.02 -0.03 0.00 2.00 0.00 0.00 34.13 33.74 2noc s GLU 23 CO 0.32 0.52 0.83 0.42 -0.56 0.00 0.00 175.26 176.79 2noc s ILE 24 N -0.82 4.95 0.24 -3.70 -1.09 -1.26 -1.46 121.20 118.07 2noc s ILE 24 Ca 0.12 1.72 0.10 0.00 -2.23 0.00 0.00 60.65 60.36 2noc s ILE 24 Cb -0.10 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.57 2noc s ILE 24 CO 0.02 0.19 -0.06 -0.04 -1.23 0.00 0.00 174.94 173.83 2noc s MET 25 N 1.05 2.15 0.46 2.79 -1.94 -1.24 -4.99 119.30 117.57 2noc s MET 25 Ca 0.44 -1.39 -0.19 0.00 -1.71 0.00 0.00 55.69 52.83 2noc s MET 25 Cb -0.19 -2.12 -0.10 0.00 2.01 0.00 0.00 34.83 34.43 2noc s MET 25 CO 0.21 0.39 0.97 0.15 -0.01 0.00 0.00 175.02 176.73 2noc s LYS 26 N -3.35 4.11 0.64 2.03 1.02 -1.26 -4.80 119.74 118.13 2noc s LYS 26 Ca 0.29 1.08 0.39 0.00 0.02 0.00 0.00 55.97 57.74 2noc s LYS 26 Cb -0.07 -2.16 2.19 0.00 -0.52 0.00 0.00 37.83 37.27 2noc s LYS 26 CO 0.18 -0.13 2.33 0.87 -0.92 0.00 0.00 175.35 177.67 2noc h LYS 27 N 1.56 0.00 0.04 1.68 6.56 -2.00 0.66 116.57 125.07 2noc h LYS 27 Ca -0.48 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.11 2noc h LYS 27 Cb 1.18 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 2noc h LYS 27 CO 0.61 0.00 -0.02 1.79 -2.06 0.00 0.00 179.45 179.77 2noc h THR 28 N 0.00 1.08 0.00 -0.16 1.35 -1.99 -2.88 112.91 110.32 2noc h THR 28 Ca 0.00 -1.65 -0.16 0.00 -0.55 0.00 0.00 66.41 64.05 2noc h THR 28 Cb 0.00 1.98 -0.02 0.00 -1.73 0.00 0.00 68.15 68.38 2noc h THR 28 CO -0.00 0.34 -0.76 -2.24 -0.25 0.00 0.00 175.52 172.61 2noc h ASP 29 N -0.95 0.00 -0.64 5.36 3.04 -1.77 -2.43 116.42 119.03 2noc h ASP 29 Ca -0.01 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.78 2noc h ASP 29 Cb 0.61 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.86 2noc h ASP 29 CO 0.01 0.76 0.37 0.15 -2.04 0.00 0.00 179.24 178.49 2noc h PHE 30 N 0.00 0.87 -0.03 4.15 3.57 0.14 0.18 116.94 125.83 2noc h PHE 30 Ca -0.01 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 2noc h PHE 30 Cb 1.41 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 2noc h PHE 30 CO 0.00 0.61 -0.27 0.22 -2.23 0.00 0.00 178.31 176.64 2noc h ASP 31 N 0.88 0.05 -0.04 0.41 3.58 -1.27 0.21 116.42 120.24 2noc h ASP 31 Ca 0.23 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.55 2noc h ASP 31 Cb 0.01 -0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.06 2noc h ASP 31 CO -0.04 0.32 -0.42 0.11 -2.88 0.00 0.00 179.24 176.34 2noc h LYS 32 N 0.05 0.35 0.00 0.28 6.56 -0.91 -3.27 116.57 119.63 2noc h LYS 32 Ca 0.01 -0.33 -0.07 0.00 -1.06 0.00 0.00 60.65 59.20 2noc h LYS 32 Cb 0.50 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.23 2noc h LYS 32 CO 0.04 0.99 -0.31 -0.39 -2.06 0.00 0.00 179.45 177.71 2noc h VAL 33 N -0.16 0.66 0.00 0.50 -1.51 -0.39 -2.90 116.25 112.44 2noc h VAL 33 Ca -0.04 -1.48 0.00 0.00 -1.23 0.00 0.00 66.70 63.95 2noc h VAL 33 Cb 1.10 1.99 0.00 0.00 -2.13 0.00 0.00 31.29 32.25 2noc h VAL 33 CO 0.08 0.31 0.00 0.00 -1.23 0.00 0.00 177.57 176.73 2noc h ALA 34 N 1.69 1.00 -0.04 5.19 0.00 -0.63 0.12 119.26 126.58 2noc h ALA 34 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2noc h ALA 34 Cb 0.96 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2noc h ALA 34 CO 0.04 0.00 -0.50 1.03 0.00 0.00 0.00 179.25 179.83 2noc h SER 35 N 0.00 0.11 -0.23 0.00 0.87 -1.64 -3.14 113.55 109.53 2noc h SER 35 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2noc h SER 35 Cb 0.01 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2noc h SER 35 CO 0.00 0.59 0.00 -0.62 -0.53 0.00 0.00 176.83 176.27 2noc n GLU 36 N -3.95 2.77 -4.36 2.24 1.02 0.31 -4.99 120.64 113.68 2noc n GLU 36 Ca -0.02 -2.17 -0.26 0.00 -0.02 0.00 0.00 57.16 54.69 2noc n GLU 36 Cb 0.52 -1.37 -0.09 0.00 -0.02 0.00 0.00 31.44 30.48 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 -1.59 2.56 -0.01 -0.32 1.51 -0.63 -2.21 117.35 116.66 2noc s TYR 37 Ca 0.24 -0.60 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 2noc s TYR 37 Cb 0.16 -1.83 0.01 0.00 -0.11 0.00 0.00 41.96 40.20 2noc s TYR 37 CO 0.10 0.33 -0.00 0.99 -1.11 0.00 0.00 175.55 175.86 2noc s THR 38 N -2.64 0.08 -0.13 -0.71 2.01 0.40 -4.87 115.64 109.78 2noc s THR 38 Ca 0.38 0.03 -0.29 0.00 0.31 0.00 0.00 61.69 62.12 2noc s THR 38 Cb 0.06 -0.12 -0.02 0.00 0.01 0.00 0.00 72.50 72.43 2noc s THR 38 CO 0.20 0.06 1.20 -0.75 -0.69 0.00 0.00 174.62 174.65 2noc s LYS 39 N 0.42 4.29 0.10 4.92 2.20 -1.26 -0.29 119.74 130.11 2noc s LYS 39 Ca -0.04 1.62 0.23 0.00 -0.36 0.00 0.00 55.97 57.42 2noc s LYS 39 Cb -0.06 -3.66 0.02 0.00 -1.51 0.00 0.00 37.83 32.62 2noc s LYS 39 CO -0.01 -0.58 1.00 0.44 -0.36 0.00 0.00 175.35 175.83 2noc n ILE 40 N 5.05 0.32 0.00 5.43 -5.35 -1.25 -4.97 119.36 118.59 2noc n ILE 40 Ca 0.12 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 2noc n ILE 40 Cb 0.46 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 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 1.29 2.92 3.80 3.28 0.00 -1.26 -5.13 105.19 110.09 2noc n GLY 41 Ca 0.01 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.00 4.58 0.32 2.61 2.01 -1.26 -3.55 115.64 118.35 2noc s THR 42 Ca 0.00 -0.89 0.10 0.00 0.31 0.00 0.00 61.69 61.21 2noc s THR 42 Cb 0.00 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.18 2noc s THR 42 CO 0.00 0.01 -0.05 0.27 -0.69 0.00 0.00 174.62 174.16 2noc s ILE 43 N -1.57 2.62 0.23 1.82 -4.36 0.18 -4.98 121.20 115.13 2noc s ILE 43 Ca 0.30 -2.10 -0.17 0.00 -0.26 0.00 0.00 60.65 58.43 2noc s ILE 43 Cb -0.11 -2.68 0.02 0.00 1.25 0.00 0.00 42.46 40.94 2noc s ILE 43 CO 0.23 -0.26 0.56 -0.55 0.24 0.00 0.00 174.94 175.16 2noc s SER 44 N -3.65 -0.22 0.26 4.36 0.15 -1.26 -0.78 113.70 112.56 2noc s SER 44 Ca 0.33 -0.62 0.08 0.00 0.70 0.00 0.00 55.95 56.44 2noc s SER 44 Cb -0.01 0.61 -0.04 0.00 -1.71 0.00 0.00 66.02 64.87 2noc s SER 44 CO 0.18 -1.14 0.14 0.42 1.20 0.00 0.00 173.24 174.04 2noc s THR 45 N -3.92 4.09 -0.17 6.45 -4.23 -1.09 -5.01 115.64 111.76 2noc s THR 45 Ca 0.13 -1.56 -0.06 0.00 -1.18 0.00 0.00 61.69 59.02 2noc s THR 45 Cb -0.02 -3.22 0.08 0.00 1.34 0.00 0.00 72.50 70.68 2noc s THR 45 CO 0.02 -0.35 0.37 -0.89 -0.54 0.00 0.00 174.62 173.23 2noc s THR 46 N -2.20 -0.52 0.00 3.99 2.01 -1.26 -4.66 115.64 112.99 2noc s THR 46 Ca 0.33 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.53 2noc s THR 46 Cb -0.07 -0.59 0.00 0.00 0.01 0.00 0.00 72.50 71.85 2noc s THR 46 CO 0.23 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 2noc n GLY 47 N 5.27 2.84 3.62 4.40 0.00 -1.26 -4.98 105.19 115.07 2noc n GLY 47 Ca -0.09 -1.49 -0.45 0.00 0.00 0.00 0.00 46.02 43.98 2noc n GLY 47 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2noc n GLU 48 N 1.13 2.13 -4.17 1.61 4.71 -1.26 -4.68 120.64 120.10 2noc n GLU 48 Ca 0.00 0.70 -0.11 0.00 -0.01 0.00 0.00 57.16 57.74 2noc n GLU 48 Cb 0.00 -2.92 -0.10 0.00 -1.01 0.00 0.00 31.44 27.41 2noc n GLU 48 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 2noc s MET 49 N 5.29 1.19 0.35 3.49 -1.94 -0.40 -4.98 119.30 122.30 2noc s MET 49 Ca 0.97 -1.56 -0.27 0.00 -1.71 0.00 0.00 55.69 53.11 2noc s MET 49 Cb -0.52 0.28 -0.09 0.00 2.01 0.00 0.00 34.83 36.51 2noc s MET 49 CO 0.43 -0.39 1.23 -1.12 -0.01 0.00 0.00 175.02 175.16 2noc s SER 50 N -3.13 6.72 0.07 3.03 0.01 -1.26 -4.25 113.70 114.89 2noc s SER 50 Ca 0.35 2.52 -0.32 0.00 1.31 0.00 0.00 55.95 59.81 2noc s SER 50 Cb 0.06 -2.63 -0.18 0.00 0.21 0.00 0.00 66.02 63.48 2noc s SER 50 CO 0.10 -0.55 1.62 1.55 0.41 0.00 0.00 173.24 176.37 2noc h PRO 51 N 3.15 -0.77 -0.05 12.44 0.13 -1.89 0.99 132.00 146.00 2noc h PRO 51 Ca -0.49 0.05 -0.15 0.00 -0.87 0.00 0.00 66.00 64.55 2noc h PRO 51 Cb 1.23 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.52 2noc h PRO 51 CO 0.64 -0.51 -0.64 1.25 -0.23 0.00 0.00 178.00 178.52 2noc h LEU 52 N -0.81 0.24 -0.43 1.56 5.85 -1.93 -2.09 115.31 117.69 2noc h LEU 52 Ca -0.08 -0.14 -0.17 0.00 0.84 0.00 0.00 57.88 58.32 2noc h LEU 52 Cb 0.62 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 2noc h LEU 52 CO 0.13 0.81 -0.54 0.44 -0.34 0.00 0.00 178.44 178.94 2noc h ASP 53 N 0.15 0.76 0.29 1.25 3.32 -1.93 0.19 116.42 120.45 2noc h ASP 53 Ca -0.01 -0.41 -0.13 0.00 0.02 0.00 0.00 57.03 56.50 2noc h ASP 53 Cb 1.16 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 2noc h ASP 53 CO 0.10 1.15 -0.53 0.00 -1.72 0.00 0.00 179.24 178.24 2noc h ALA 54 N 0.86 0.93 -0.36 3.45 0.00 -0.71 -1.29 119.26 122.14 2noc h ALA 54 Ca 0.01 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 2noc h ALA 54 Cb 1.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2noc h ALA 54 CO 0.11 0.68 -0.04 0.00 0.00 0.00 0.00 179.25 180.00 2noc h ARG 55 N 0.21 0.66 -0.77 0.00 3.08 -1.12 -2.25 114.38 114.19 2noc h ARG 55 Ca 0.00 -0.23 0.07 0.00 0.07 0.00 0.00 59.98 59.89 2noc h ARG 55 Cb 1.00 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.94 2noc h ARG 55 CO 0.08 0.79 0.45 1.49 -1.07 0.00 0.00 179.97 181.71 2noc h GLU 56 N 0.47 0.77 -0.14 0.04 4.22 -0.36 0.84 114.58 120.43 2noc h GLU 56 Ca 0.10 -0.05 -0.12 0.00 0.08 0.00 0.00 59.36 59.37 2noc h GLU 56 Cb 0.52 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2noc h GLU 56 CO 0.03 0.51 -0.43 0.22 -2.18 0.00 0.00 179.01 177.16 2noc h ASP 57 N 0.80 0.34 -0.45 1.04 3.58 -1.09 0.27 116.42 120.90 2noc h ASP 57 Ca 0.35 -0.15 -0.07 0.00 0.42 0.00 0.00 57.03 57.58 2noc h ASP 57 Cb 0.23 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 2noc h ASP 57 CO -0.20 0.73 0.02 -0.07 -2.88 0.00 0.00 179.24 176.84 2noc h LEU 58 N 0.27 0.77 -0.66 2.28 3.38 -0.74 -0.33 115.31 120.28 2noc h LEU 58 Ca 0.02 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 2noc h LEU 58 Cb 0.86 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 2noc h LEU 58 CO 0.07 0.88 0.28 0.40 0.09 0.00 0.00 178.44 180.16 2noc h ILE 59 N 0.64 1.23 0.01 1.22 2.04 -0.26 -0.14 117.51 122.25 2noc h ILE 59 Ca 0.13 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 65.30 2noc h ILE 59 Cb 0.47 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 2noc h ILE 59 CO 0.02 0.29 -0.19 0.11 0.00 0.00 0.00 178.15 178.38 2noc h LYS 60 N 0.92 -0.30 -0.71 2.37 1.57 -0.31 -1.56 116.57 118.55 2noc h LYS 60 Ca 0.22 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 2noc h LYS 60 Cb 0.18 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 2noc h LYS 60 CO -0.02 -0.20 0.32 -0.22 -0.57 0.00 0.00 179.45 178.76 2noc h LYS 61 N -0.32 1.02 -0.53 3.15 3.64 -0.62 0.40 116.57 123.31 2noc h LYS 61 Ca 0.05 -0.15 0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2noc h LYS 61 Cb 0.38 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 2noc h LYS 61 CO -0.17 0.80 0.30 0.00 -2.27 0.00 0.00 179.45 178.11 2noc h ALA 62 N 1.34 0.69 -0.51 5.00 0.00 -0.84 0.19 119.26 125.14 2noc h ALA 62 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2noc h ALA 62 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2noc h ALA 62 CO -0.03 -0.02 0.02 0.22 0.00 0.00 0.00 179.25 179.45 2noc h ASP 63 N 0.59 0.86 -0.52 0.00 1.82 -0.23 0.14 116.42 119.08 2noc h ASP 63 Ca 0.23 -0.29 -0.01 0.00 -0.39 0.00 0.00 57.03 56.56 2noc h ASP 63 Cb 0.08 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 39.83 2noc h ASP 63 CO -0.13 0.94 0.29 -0.33 -1.61 0.00 0.00 179.24 178.40 2noc h GLU 64 N 0.75 0.74 0.00 0.28 4.39 0.16 -1.39 114.58 119.52 2noc h GLU 64 Ca 0.15 -0.08 -0.21 0.00 0.34 0.00 0.00 59.36 59.56 2noc h GLU 64 Cb 0.49 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2noc h GLU 64 CO 0.02 0.55 -0.91 -0.22 -1.16 0.00 0.00 179.01 177.29 2noc h LYS 65 N 0.75 0.30 0.00 2.33 1.63 -0.35 -3.48 116.57 117.76 2noc h LYS 65 Ca 0.19 -0.33 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 2noc h LYS 65 Cb 0.03 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2noc h LYS 65 CO -0.03 1.03 0.00 0.41 -3.45 0.00 0.00 179.45 177.41 2noc n GLY 66 N 0.91 1.31 3.76 5.01 0.00 0.32 -5.09 105.19 111.42 2noc n GLY 66 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 3.00 -0.21 4.61 0.00 -0.20 -4.94 121.76 122.03 2noc s ALA 67 Ca 0.00 1.16 -0.00 0.00 0.00 0.00 0.00 51.96 53.11 2noc s ALA 67 Cb 0.00 -3.48 -0.20 0.00 0.00 0.00 0.00 23.12 19.44 2noc s ALA 67 CO 0.00 -0.95 -0.01 -3.47 0.00 0.00 0.00 175.76 171.33 2noc n ASP 68 N -0.50 1.95 -4.42 0.00 2.03 -0.39 -3.58 116.55 111.65 2noc n ASP 68 Ca 0.07 -0.01 -0.33 0.00 0.52 0.00 0.00 54.79 55.05 2noc n ASP 68 Cb 0.46 -0.51 -0.14 0.00 -0.72 0.00 0.00 41.12 40.21 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 -2.53 3.00 0.01 5.18 1.01 -0.42 -0.69 120.40 125.95 2noc s VAL 69 Ca -0.30 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.02 2noc s VAL 69 Cb 0.08 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 2noc s VAL 69 CO 0.67 0.56 -0.17 0.68 0.00 0.00 0.00 175.10 176.84 2noc s VAL 70 N -0.21 1.34 -0.06 2.92 -7.23 -0.53 -0.22 120.40 116.41 2noc s VAL 70 Ca 0.00 -0.86 0.01 0.00 -1.81 0.00 0.00 61.98 59.33 2noc s VAL 70 Cb -0.13 -1.15 0.02 0.00 0.56 0.00 0.00 36.38 35.68 2noc s VAL 70 CO 0.03 0.27 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.32 2noc s VAL 71 N -0.55 0.90 -0.69 1.32 1.01 0.09 -3.67 120.40 118.80 2noc s VAL 71 Ca 0.06 -0.32 -0.24 0.00 0.00 0.00 0.00 61.98 61.48 2noc s VAL 71 Cb -0.07 -0.86 0.06 0.00 0.00 0.00 0.00 36.38 35.51 2noc s VAL 71 CO 0.00 0.31 1.07 -0.76 0.00 0.00 0.00 175.10 175.72 2noc s LEU 72 N 0.92 4.02 0.02 3.92 1.43 -1.26 -0.27 118.68 127.45 2noc s LEU 72 Ca -0.10 -0.85 0.25 0.00 -1.03 0.00 0.00 54.13 52.39 2noc s LEU 72 Cb -0.15 -2.46 0.53 0.00 0.03 0.00 0.00 46.19 44.14 2noc s LEU 72 CO 0.01 -1.56 1.43 0.35 0.23 0.00 0.00 176.35 176.82 2noc n THR 73 N 6.06 0.05 -1.65 5.49 -2.24 -1.07 -4.94 114.28 115.98 2noc n THR 73 Ca -0.01 -0.04 -0.57 0.00 -2.27 0.00 0.00 64.05 61.17 2noc n THR 73 Cb 0.47 0.15 -0.07 0.00 -2.10 0.00 0.00 70.33 68.77 2noc n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2noc n SER 74 N -1.58 1.73 0.24 3.42 3.41 -0.20 -4.69 113.62 115.94 2noc n SER 74 Ca 0.05 1.11 0.13 0.00 -0.26 0.00 0.00 58.87 59.91 2noc n SER 74 Cb 0.35 -1.11 0.36 0.00 -0.26 0.00 0.00 64.21 63.55 2noc n SER 74 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2noc h GLY 75 N 5.53 0.00 -4.23 5.00 0.00 -1.92 -3.47 103.07 103.99 2noc h GLY 75 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2noc h GLY 75 CO 0.86 0.00 -0.93 -1.06 0.00 0.00 0.00 176.54 175.41 2noc n GLN 76 N -3.12 -3.80 0.00 4.80 1.13 -1.26 -5.05 117.38 110.08 2noc n GLN 76 Ca 0.03 2.91 0.00 0.00 -1.94 0.00 0.00 57.00 58.00 2noc n GLN 76 Cb 0.46 -3.87 0.00 0.00 0.11 0.00 0.00 30.24 26.94 2noc n GLN 76 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2noc n THR 77 N 1.36 0.00 0.00 5.09 -2.24 -1.26 -5.11 114.28 112.12 2noc n THR 77 Ca -0.12 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2noc n THR 77 Cb 0.19 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 2noc n THR 77 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2noc n GLU 78 N -1.59 0.00 -0.10 -0.78 2.13 -1.26 -5.01 120.64 114.03 2noc n GLU 78 Ca 0.00 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 2noc n GLU 78 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 2noc n GLU 78 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2noc n ASN 79 N -1.23 1.69 -1.87 4.31 2.85 -1.26 -3.21 115.26 116.53 2noc n ASN 79 Ca 0.00 0.17 -0.11 0.00 -0.11 0.00 0.00 54.58 54.54 2noc n ASN 79 Cb 0.00 -0.54 -0.06 0.00 1.24 0.00 0.00 39.78 40.42 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 -3.74 1.67 -2.62 1.20 2.85 -1.26 -1.28 118.16 114.98 2noc n LYS 80 Ca -0.39 -0.92 -0.42 0.00 -1.05 0.00 0.00 58.31 55.53 2noc n LYS 80 Cb 0.81 -1.60 -0.03 0.00 -0.65 0.00 0.00 35.03 33.56 2noc n LYS 80 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 2noc s ILE 81 N -0.34 4.62 -0.39 0.58 -4.36 -1.26 -4.91 121.20 115.14 2noc s ILE 81 Ca 0.36 1.88 0.05 0.00 -0.26 0.00 0.00 60.65 62.68 2noc s ILE 81 Cb 0.20 -4.20 0.46 0.00 1.25 0.00 0.00 42.46 40.17 2noc s ILE 81 CO -0.03 0.14 1.46 1.57 0.24 0.00 0.00 174.94 178.32 2noc n HIS 82 N 3.95 2.55 -2.25 1.37 -0.00 -1.26 -4.52 115.22 115.05 2noc n HIS 82 Ca 0.07 -2.32 -0.39 0.00 0.46 0.00 0.00 57.72 55.54 2noc n HIS 82 Cb 0.50 -0.66 -0.02 0.00 -0.12 0.00 0.00 29.99 29.69 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 -2.96 2.95 0.41 1.57 0.00 -1.26 -4.63 107.32 103.41 2noc s GLY 83 Ca 0.53 1.07 0.08 0.00 0.00 0.00 0.00 44.72 46.40 2noc s GLY 83 CO 0.02 1.65 0.38 -0.51 0.00 0.00 0.00 173.10 174.64 2noc s THR 84 N -1.27 2.76 -0.03 0.90 -4.23 -1.26 -2.65 115.64 109.86 2noc s THR 84 Ca 0.52 -1.33 -0.01 0.00 -1.18 0.00 0.00 61.69 59.69 2noc s THR 84 Cb -0.34 -3.02 0.02 0.00 1.34 0.00 0.00 72.50 70.50 2noc s THR 84 CO 0.44 -0.02 0.07 0.00 -0.54 0.00 0.00 174.62 174.58 2noc s ALA 85 N -2.45 -0.08 -0.22 3.99 0.00 0.04 -1.03 121.76 122.00 2noc s ALA 85 Ca 0.48 0.36 -0.05 0.00 0.00 0.00 0.00 51.96 52.75 2noc s ALA 85 Cb -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 2noc s ALA 85 CO 0.28 -0.09 -0.01 0.34 0.00 0.00 0.00 175.76 176.27 2noc s ASP 86 N 0.75 4.54 0.18 0.00 2.15 0.63 -0.65 116.67 124.27 2noc s ASP 86 Ca -0.06 -0.33 0.10 0.00 0.43 0.00 0.00 52.55 52.69 2noc s ASP 86 Cb -0.08 -1.79 -0.04 0.00 -0.30 0.00 0.00 42.92 40.71 2noc s ASP 86 CO -0.03 -0.01 -0.15 0.27 -0.17 0.00 0.00 175.17 175.08 2noc s ILE 87 N 1.44 2.90 0.06 4.11 -4.36 -1.23 -0.73 121.20 123.39 2noc s ILE 87 Ca 0.05 -1.75 0.03 0.00 -0.26 0.00 0.00 60.65 58.73 2noc s ILE 87 Cb -0.14 -2.41 -0.03 0.00 1.25 0.00 0.00 42.46 41.13 2noc s ILE 87 CO -0.01 -0.09 -0.10 -0.31 0.24 0.00 0.00 174.94 174.68 2noc s TYR 88 N -1.62 0.86 0.23 1.37 1.51 0.69 -3.91 117.35 116.48 2noc s TYR 88 Ca 0.23 -0.52 0.09 0.00 -1.01 0.00 0.00 57.07 55.86 2noc s TYR 88 Cb -0.09 -0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 41.22 2noc s TYR 88 CO 0.13 -0.04 -0.04 0.15 -1.11 0.00 0.00 175.55 174.64 2noc s LYS 89 N -1.80 2.22 0.40 -0.62 -0.14 0.60 -1.26 119.74 119.14 2noc s LYS 89 Ca -0.06 -1.36 -0.24 0.00 -1.36 0.00 0.00 55.97 52.95 2noc s LYS 89 Cb -0.09 -2.16 -0.09 0.00 -1.68 0.00 0.00 37.83 33.81 2noc s LYS 89 CO 0.01 0.39 1.06 0.15 -0.76 0.00 0.00 175.35 176.20 2noc s LYS 90 N -3.37 4.15 0.38 1.68 1.02 -1.26 -0.46 119.74 121.88 2noc s LYS 90 Ca 0.29 1.54 -0.01 0.00 0.02 0.00 0.00 55.97 57.81 2noc s LYS 90 Cb -0.07 -2.54 0.08 0.00 -0.52 0.00 0.00 37.83 34.77 2noc s LYS 90 CO 0.18 -0.16 0.53 1.63 -0.92 0.00 0.00 175.35 176.61 2noc n LYS 91 N -0.08 0.15 -0.01 1.68 5.02 -0.94 -4.78 118.16 119.21 2noc n LYS 91 Ca 0.05 -1.35 0.03 0.00 -2.02 0.00 0.00 58.31 55.02 2noc n LYS 91 Cb 0.49 -0.38 -0.12 0.00 -0.02 0.00 0.00 35.03 35.01 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 0.35 -4.27 -0.35 -0.00 -1.26 -4.57 117.00 106.90 2noc n LEU 92 Ca 0.08 0.15 -0.44 0.00 -0.00 0.00 0.00 56.01 55.80 2noc n LEU 92 Cb 0.30 0.13 -0.03 0.00 -0.00 0.00 0.00 43.42 43.82 2noc n LEU 92 CO 0.20 0.14 0.41 -0.70 -0.00 0.00 0.00 177.39 177.44 2noc s GLU 93 N -3.09 3.49 -0.12 1.47 2.12 -1.26 -5.00 118.70 116.30 2noc s GLU 93 Ca -0.06 -2.67 -0.00 0.00 0.36 0.00 0.00 54.97 52.60 2noc s GLU 93 Cb 0.10 -4.29 0.02 0.00 0.26 0.00 0.00 34.13 30.23 2noc s GLU 93 CO 0.85 -1.26 -0.10 -3.38 -0.54 0.00 0.00 175.26 170.83 2noc s HIS 94 N -0.23 1.72 -0.45 5.30 -3.43 -1.26 -4.82 115.29 112.11 2noc s HIS 94 Ca 0.21 -0.90 0.23 0.00 -0.80 0.00 0.00 55.06 53.80 2noc s HIS 94 Cb -0.12 -1.36 0.34 0.00 -1.43 0.00 0.00 32.58 30.01 2noc s HIS 94 CO -0.08 -0.56 1.51 1.25 -2.00 0.00 0.00 174.74 174.85 2noc h HIS 95 N 8.11 0.00 -3.19 0.38 2.76 -1.96 -3.42 115.15 117.84 2noc h HIS 95 Ca -0.33 0.00 -0.57 0.00 -2.20 0.00 0.00 60.37 57.27 2noc h HIS 95 Cb 1.13 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.04 2noc h HIS 95 CO 0.47 0.00 1.09 -1.01 -1.30 0.00 0.00 177.93 177.18 2noc s HIS 96 N -3.22 2.35 -0.08 5.26 3.76 -1.26 -4.82 115.29 117.28 2noc s HIS 96 Ca 0.06 0.68 0.03 0.00 -0.15 0.00 0.00 55.06 55.68 2noc s HIS 96 Cb 0.07 -4.25 -0.07 0.00 1.11 0.00 0.00 32.58 29.45 2noc s HIS 96 CO 0.69 -2.10 -0.03 1.58 -0.85 0.00 0.00 174.74 174.03 2noc n HIS 97 N 8.85 0.00 -3.85 1.40 -0.00 -1.26 -5.02 115.22 115.34 2noc n HIS 97 Ca 0.17 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 58.06 2noc n HIS 97 Cb 0.48 -0.35 -0.04 0.00 -0.12 0.00 0.00 29.99 29.96 2noc n HIS 97 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2noc s HIS 98 N -2.18 3.50 -0.84 1.57 -3.43 -1.26 -5.15 115.29 107.50 2noc s HIS 98 Ca -0.08 0.27 0.07 0.00 -0.80 0.00 0.00 55.06 54.52 2noc s HIS 98 Cb 0.03 -1.78 0.05 0.00 -1.43 0.00 0.00 32.58 29.44 2noc s HIS 98 CO 0.25 0.51 0.71 1.58 -2.00 0.00 0.00 174.74 175.79