#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 2.83 -0.15 0.03 1.02 -1.26 -5.00 119.74 117.20 2noc s LYS 2 Ca 0.00 -1.81 -0.01 0.00 0.02 0.00 0.00 55.97 54.17 2noc s LYS 2 Cb 0.00 -4.15 0.04 0.00 -0.52 0.00 0.00 37.83 33.20 2noc s LYS 2 CO 0.00 -1.27 -0.02 0.99 -0.92 0.00 0.00 175.35 174.13 2noc s THR 3 N 1.36 0.79 -0.05 2.17 2.01 -1.26 -5.13 115.64 115.53 2noc s THR 3 Ca 0.06 -0.45 -0.11 0.00 0.31 0.00 0.00 61.69 61.49 2noc s THR 3 Cb -0.27 -1.06 0.02 0.00 0.01 0.00 0.00 72.50 71.21 2noc s THR 3 CO 0.00 0.06 0.27 -0.83 -0.69 0.00 0.00 174.62 173.43 2noc s GLY 4 N 1.77 -0.14 -0.87 4.40 0.00 -1.26 -5.10 107.32 106.12 2noc s GLY 4 Ca 0.01 0.44 -0.19 0.00 0.00 0.00 0.00 44.72 44.98 2noc s GLY 4 CO -0.07 0.29 1.06 -0.19 0.00 0.00 0.00 173.10 174.19 2noc s TYR 5 N -0.72 3.07 0.00 1.90 2.02 -1.26 -4.82 117.35 117.53 2noc s TYR 5 Ca -0.08 -1.26 0.12 0.00 -0.37 0.00 0.00 57.07 55.48 2noc s TYR 5 Cb -0.04 -4.25 0.04 0.00 -0.40 0.00 0.00 41.96 37.31 2noc s TYR 5 CO 0.02 -1.48 1.42 0.87 -1.57 0.00 0.00 175.55 174.81 2noc h LYS 6 N 8.93 0.00 -2.98 -0.62 1.57 -2.03 -3.37 116.57 118.06 2noc h LYS 6 Ca 0.06 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.23 2noc h LYS 6 Cb 1.04 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.93 2noc h LYS 6 CO 1.10 0.68 -0.62 1.55 -0.57 0.00 0.00 179.45 181.60 2noc n VAL 7 N -3.33 1.35 0.68 0.50 3.14 -1.26 -4.81 118.33 114.59 2noc n VAL 7 Ca 0.01 -4.72 0.07 0.00 -2.96 0.00 0.00 64.34 56.73 2noc n VAL 7 Cb 0.78 -2.13 -0.07 0.00 -1.06 0.00 0.00 33.84 31.36 2noc n VAL 7 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 2noc n MET 8 N 2.02 2.18 -3.84 1.45 0.00 -1.26 -4.93 117.12 112.74 2noc n MET 8 Ca 0.21 -0.09 -0.35 0.00 0.00 0.00 0.00 57.70 57.48 2noc n MET 8 Cb 0.37 -1.19 -0.09 0.00 0.00 0.00 0.00 33.22 32.31 2noc n MET 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2noc s LEU 9 N -2.60 4.05 -0.18 -0.89 1.02 -1.26 -5.08 118.68 113.74 2noc s LEU 9 Ca 0.06 0.17 -0.07 0.00 0.02 0.00 0.00 54.13 54.31 2noc s LEU 9 Cb 0.11 -2.04 0.08 0.00 0.02 0.00 0.00 46.19 44.36 2noc s LEU 9 CO 0.57 0.17 0.38 -0.83 0.02 0.00 0.00 176.35 176.66 2noc s GLY 10 N 0.39 -0.30 -0.05 -3.19 0.00 -1.26 -5.14 107.32 97.77 2noc s GLY 10 Ca 0.06 1.38 0.01 0.00 0.00 0.00 0.00 44.72 46.17 2noc s GLY 10 CO -0.01 2.14 -0.06 0.00 0.00 0.00 0.00 173.10 175.17 2noc s ALA 11 N 2.29 0.76 -0.18 3.20 0.00 -1.26 -5.02 121.76 121.56 2noc s ALA 11 Ca -0.03 -0.11 0.14 0.00 0.00 0.00 0.00 51.96 51.96 2noc s ALA 11 Cb -0.11 -0.44 0.43 0.00 0.00 0.00 0.00 23.12 23.00 2noc s ALA 11 CO -0.12 0.01 1.20 1.47 0.00 0.00 0.00 175.76 178.32 2noc n LEU 12 N 3.99 2.56 -4.56 0.00 -0.00 -1.26 -5.02 117.00 112.71 2noc n LEU 12 Ca -0.25 -3.56 -0.43 0.00 -0.00 0.00 0.00 56.01 51.77 2noc n LEU 12 Cb 0.51 -0.35 -0.05 0.00 -0.00 0.00 0.00 43.42 43.53 2noc n LEU 12 CO 0.24 1.28 0.61 0.00 -0.00 0.00 0.00 177.39 179.52 2noc s ALA 13 N -2.61 3.31 -0.98 1.47 0.00 -1.26 -4.97 121.76 116.72 2noc s ALA 13 Ca 0.38 -0.86 -0.24 0.00 0.00 0.00 0.00 51.96 51.24 2noc s ALA 13 Cb 0.38 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 20.02 2noc s ALA 13 CO -0.08 -1.85 1.62 0.12 0.00 0.00 0.00 175.76 175.57 2noc s PHE 14 N 3.36 2.27 -0.54 0.00 5.36 -1.26 -4.92 117.98 122.25 2noc s PHE 14 Ca 0.32 -0.32 -0.09 0.00 -0.96 0.00 0.00 56.93 55.88 2noc s PHE 14 Cb -0.12 -4.47 0.14 0.00 -0.34 0.00 0.00 43.02 38.23 2noc s PHE 14 CO 0.22 -1.87 0.42 0.08 -1.46 0.00 0.00 175.22 172.61 2noc s VAL 15 N 6.78 4.35 0.00 3.12 1.01 -1.26 -4.83 120.40 129.56 2noc s VAL 15 Ca 0.54 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 60.48 2noc s VAL 15 Cb -0.02 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2noc s VAL 15 CO -0.06 -0.83 0.00 0.52 0.00 0.00 0.00 175.10 174.73 2noc n VAL 16 N 4.58 0.00 -3.64 2.92 0.31 -1.26 -5.05 118.33 116.19 2noc n VAL 16 Ca -0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.09 2noc n VAL 16 Cb 0.41 -0.24 0.04 0.00 -0.91 0.00 0.00 33.84 33.14 2noc n VAL 16 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2noc n THR 17 N -1.55 -4.96 -0.10 2.52 -1.04 -1.26 -4.92 114.28 102.98 2noc n THR 17 Ca 0.00 -0.55 -0.11 0.00 -2.04 0.00 0.00 64.05 61.35 2noc n THR 17 Cb 0.00 -4.11 -0.12 0.00 -1.82 0.00 0.00 70.33 64.28 2noc n THR 17 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2noc n ASN 18 N -3.06 1.42 -4.57 8.00 5.15 -1.26 -4.84 115.26 116.10 2noc n ASN 18 Ca -0.28 -0.05 -0.34 0.00 -0.60 0.00 0.00 54.58 53.30 2noc n ASN 18 Cb 0.67 0.37 -0.04 0.00 -0.53 0.00 0.00 39.78 40.26 2noc n ASN 18 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2noc s VAL 19 N -2.43 3.71 0.05 3.44 -7.23 -1.26 -4.64 120.40 112.05 2noc s VAL 19 Ca -0.18 -0.81 -0.09 0.00 -1.81 0.00 0.00 61.98 59.09 2noc s VAL 19 Cb 0.06 -4.61 -0.31 0.00 0.56 0.00 0.00 36.38 32.07 2noc s VAL 19 CO 0.62 -1.43 1.05 1.88 -0.31 0.00 0.00 175.10 176.91 2noc h TYR 20 N 10.00 0.69 -1.60 2.82 0.05 -1.92 -3.49 116.97 123.52 2noc h TYR 20 Ca 0.20 -0.51 0.00 0.00 0.05 0.00 0.00 58.73 58.48 2noc h TYR 20 Cb 0.98 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.69 2noc h TYR 20 CO 1.27 1.41 0.00 0.00 -1.05 0.00 0.00 178.16 179.79 2noc n ALA 21 N -2.63 0.00 -1.45 3.88 0.00 -1.26 -5.09 120.51 113.96 2noc n ALA 21 Ca -0.13 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.80 2noc n ALA 21 Cb 1.06 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.44 2noc n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2noc n ALA 22 N -3.00 1.02 -2.45 0.00 0.00 -1.18 -4.67 120.51 110.22 2noc n ALA 22 Ca 0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 53.44 53.16 2noc n ALA 22 Cb 0.00 -2.52 -0.12 0.00 0.00 0.00 0.00 19.45 16.81 2noc n ALA 22 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2noc s GLU 23 N 6.10 1.36 0.07 0.00 0.41 -0.46 -4.86 118.70 121.31 2noc s GLU 23 Ca 1.09 -1.41 -0.21 0.00 -0.41 0.00 0.00 54.97 54.03 2noc s GLU 23 Cb -0.89 -1.58 -0.06 0.00 -1.78 0.00 0.00 34.13 29.82 2noc s GLU 23 CO 0.50 0.34 0.64 0.42 -0.49 0.00 0.00 175.26 176.67 2noc s ILE 24 N -1.70 4.71 0.23 -1.63 -1.09 -1.26 -0.61 121.20 119.85 2noc s ILE 24 Ca 0.16 1.37 0.09 0.00 -2.23 0.00 0.00 60.65 60.03 2noc s ILE 24 Cb -0.08 -3.98 -0.05 0.00 -1.58 0.00 0.00 42.46 36.78 2noc s ILE 24 CO 0.07 0.49 -0.15 -0.04 -1.23 0.00 0.00 174.94 174.09 2noc s MET 25 N -0.75 1.43 0.71 2.79 -1.94 -1.25 -4.98 119.30 115.31 2noc s MET 25 Ca 0.32 -1.65 -0.11 0.00 -1.71 0.00 0.00 55.69 52.54 2noc s MET 25 Cb -0.20 -1.27 0.02 0.00 2.01 0.00 0.00 34.83 35.39 2noc s MET 25 CO 0.20 0.20 1.07 0.15 -0.01 0.00 0.00 175.02 176.63 2noc s LYS 26 N -3.62 2.79 0.10 2.03 1.02 -1.26 -4.78 119.74 116.02 2noc s LYS 26 Ca 0.25 0.92 -0.26 0.00 0.02 0.00 0.00 55.97 56.90 2noc s LYS 26 Cb -0.01 -1.98 -0.10 0.00 -0.52 0.00 0.00 37.83 35.22 2noc s LYS 26 CO 0.09 -1.20 1.67 -0.22 -0.92 0.00 0.00 175.35 174.77 2noc h LYS 27 N -0.79 -0.35 -0.29 1.68 1.63 -2.01 0.63 116.57 117.07 2noc h LYS 27 Ca -0.44 0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.24 2noc h LYS 27 Cb 1.22 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.92 2noc h LYS 27 CO 0.57 -0.23 -0.41 0.00 -3.45 0.00 0.00 179.45 175.92 2noc h THR 28 N -0.36 1.29 -0.24 1.00 1.03 -1.99 -1.99 112.91 111.65 2noc h THR 28 Ca 0.02 -1.59 -0.17 0.00 -0.01 0.00 0.00 66.41 64.66 2noc h THR 28 Cb 0.37 1.51 -0.00 0.00 -1.07 0.00 0.00 68.15 68.95 2noc h THR 28 CO -0.08 0.51 -0.53 -0.78 -0.01 0.00 0.00 175.52 174.63 2noc h ASP 29 N 0.58 0.78 -0.74 0.00 3.58 -1.89 -2.14 116.42 116.60 2noc h ASP 29 Ca 0.05 -0.41 -0.01 0.00 0.42 0.00 0.00 57.03 57.07 2noc h ASP 29 Cb 0.95 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.75 2noc h ASP 29 CO 0.09 1.16 0.42 0.15 -2.88 0.00 0.00 179.24 178.18 2noc h PHE 30 N 0.55 1.01 -0.11 0.28 3.57 0.40 0.12 116.94 122.74 2noc h PHE 30 Ca 0.02 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 2noc h PHE 30 Cb 1.10 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2noc h PHE 30 CO 0.06 0.70 -0.24 0.22 -2.23 0.00 0.00 178.31 176.82 2noc h ASP 31 N 1.02 0.19 0.04 0.41 3.58 -1.14 0.38 116.42 120.91 2noc h ASP 31 Ca 0.26 -0.05 -0.25 0.00 0.42 0.00 0.00 57.03 57.41 2noc h ASP 31 Cb 0.02 -0.05 0.02 0.00 1.72 0.00 0.00 39.33 41.04 2noc h ASP 31 CO -0.04 0.44 -0.99 0.11 -2.88 0.00 0.00 179.24 175.88 2noc h LYS 32 N 0.18 0.60 0.00 0.28 6.56 -0.82 -3.28 116.57 120.09 2noc h LYS 32 Ca 0.03 -0.70 -0.10 0.00 -1.06 0.00 0.00 60.65 58.82 2noc h LYS 32 Cb 0.53 0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 32.38 2noc h LYS 32 CO 0.04 1.29 -0.48 -0.39 -2.06 0.00 0.00 179.45 177.84 2noc h VAL 33 N 0.21 0.85 -0.01 0.50 -1.51 -0.54 -3.21 116.25 112.54 2noc h VAL 33 Ca -0.13 -2.12 0.00 0.00 -1.23 0.00 0.00 66.70 63.22 2noc h VAL 33 Cb 1.67 2.36 -0.00 0.00 -2.13 0.00 0.00 31.29 33.19 2noc h VAL 33 CO 0.19 0.47 0.02 0.00 -1.23 0.00 0.00 177.57 177.02 2noc h ALA 34 N 1.52 1.28 -0.24 5.19 0.00 -0.29 -0.48 119.26 126.24 2noc h ALA 34 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2noc h ALA 34 Cb 1.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2noc h ALA 34 CO 0.06 -0.02 -0.04 1.03 0.00 0.00 0.00 179.25 180.28 2noc h SER 35 N 0.00 0.35 -0.58 0.00 0.87 -1.67 -2.53 113.55 109.99 2noc h SER 35 Ca 0.00 -0.06 -0.28 0.00 -1.23 0.00 0.00 61.79 60.23 2noc h SER 35 Cb 0.04 -0.09 -0.16 0.00 -0.44 0.00 0.00 62.40 61.75 2noc h SER 35 CO -0.00 0.44 0.19 -0.62 -0.53 0.00 0.00 176.83 176.30 2noc n GLU 36 N -4.30 2.21 -4.30 2.24 1.02 -0.19 -4.96 120.64 112.36 2noc n GLU 36 Ca 0.00 -3.10 -0.16 0.00 -0.02 0.00 0.00 57.16 53.89 2noc n GLU 36 Cb 0.23 -1.97 -0.10 0.00 -0.02 0.00 0.00 31.44 29.58 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 -3.21 1.48 0.08 -0.32 1.51 -0.95 -3.66 117.35 112.28 2noc s TYR 37 Ca 0.49 -1.21 0.06 0.00 -1.01 0.00 0.00 57.07 55.40 2noc s TYR 37 Cb 0.43 -0.85 -0.03 0.00 -0.11 0.00 0.00 41.96 41.40 2noc s TYR 37 CO 0.05 -0.38 -0.16 0.99 -1.11 0.00 0.00 175.55 174.94 2noc s THR 38 N -3.82 1.28 -0.36 -0.71 2.01 0.10 -4.87 115.64 109.27 2noc s THR 38 Ca 0.38 -1.40 -0.11 0.00 0.31 0.00 0.00 61.69 60.87 2noc s THR 38 Cb 0.08 -1.23 0.02 0.00 0.01 0.00 0.00 72.50 71.38 2noc s THR 38 CO 0.13 -0.20 0.21 -0.75 -0.69 0.00 0.00 174.62 173.32 2noc s LYS 39 N -1.85 3.00 0.00 4.92 2.20 -1.26 0.62 119.74 127.37 2noc s LYS 39 Ca 0.01 -0.97 0.29 0.00 -0.36 0.00 0.00 55.97 54.94 2noc s LYS 39 Cb -0.10 -3.73 1.21 0.00 -1.51 0.00 0.00 37.83 33.71 2noc s LYS 39 CO 0.03 -0.63 1.88 0.44 -0.36 0.00 0.00 175.35 176.71 2noc n ILE 40 N 5.02 0.00 0.00 5.43 -5.35 -1.26 -5.00 119.36 118.20 2noc n ILE 40 Ca -0.12 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 2noc n ILE 40 Cb 0.47 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 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 1.40 2.94 3.90 3.28 0.00 -1.26 -5.08 105.19 110.36 2noc n GLY 41 Ca 0.10 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.03 5.12 0.32 2.61 2.01 -1.26 -4.06 115.64 118.36 2noc s THR 42 Ca 0.00 0.04 0.09 0.00 0.31 0.00 0.00 61.69 62.13 2noc s THR 42 Cb 0.00 -3.65 -0.06 0.00 0.01 0.00 0.00 72.50 68.80 2noc s THR 42 CO 0.00 -0.05 -0.10 0.27 -0.69 0.00 0.00 174.62 174.05 2noc s ILE 43 N -1.76 2.14 0.20 1.82 -4.36 -0.76 -4.99 121.20 113.48 2noc s ILE 43 Ca 0.42 -2.22 -0.12 0.00 -0.26 0.00 0.00 60.65 58.48 2noc s ILE 43 Cb -0.12 -2.55 -0.00 0.00 1.25 0.00 0.00 42.46 41.04 2noc s ILE 43 CO 0.25 -0.25 0.39 -0.55 0.24 0.00 0.00 174.94 175.02 2noc s SER 44 N -3.56 -0.06 -0.24 4.36 0.15 -1.26 -1.17 113.70 111.93 2noc s SER 44 Ca 0.31 -0.83 0.01 0.00 0.70 0.00 0.00 55.95 56.14 2noc s SER 44 Cb 0.02 0.52 0.06 0.00 -1.71 0.00 0.00 66.02 64.90 2noc s SER 44 CO 0.15 -1.01 -0.05 0.42 1.20 0.00 0.00 173.24 173.96 2noc s THR 45 N -3.97 1.51 -0.29 6.45 -4.23 0.13 -4.91 115.64 110.32 2noc s THR 45 Ca 0.18 -1.23 -0.08 0.00 -1.18 0.00 0.00 61.69 59.38 2noc s THR 45 Cb 0.01 -1.79 -0.01 0.00 1.34 0.00 0.00 72.50 72.05 2noc s THR 45 CO 0.03 -0.13 0.12 -0.89 -0.54 0.00 0.00 174.62 173.21 2noc s THR 46 N 1.40 4.38 0.00 3.99 2.01 -1.26 -3.90 115.64 122.26 2noc s THR 46 Ca -0.05 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.51 2noc s THR 46 Cb -0.19 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.12 2noc s THR 46 CO -0.07 0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 2noc n GLY 47 N 4.94 -0.53 3.15 4.40 0.00 -1.26 -5.08 105.19 110.81 2noc n GLY 47 Ca -0.14 0.04 0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 0.59 0.35 1.61 -1.05 -1.26 -5.08 118.70 113.86 2noc s GLU 48 Ca 0.00 0.18 0.05 0.00 -0.15 0.00 0.00 54.97 55.06 2noc s GLU 48 Cb 0.00 0.16 -0.03 0.00 -0.44 0.00 0.00 34.13 33.82 2noc s GLU 48 CO 0.00 -0.97 0.21 -1.64 0.95 0.00 0.00 175.26 173.81 2noc s MET 49 N 2.44 1.78 0.47 -4.83 -1.94 -1.26 -5.13 119.30 110.83 2noc s MET 49 Ca 0.14 -2.05 -0.19 0.00 -1.71 0.00 0.00 55.69 51.88 2noc s MET 49 Cb -0.06 -0.05 -0.10 0.00 2.01 0.00 0.00 34.83 36.63 2noc s MET 49 CO -0.18 -0.56 0.97 -1.12 -0.01 0.00 0.00 175.02 174.12 2noc s SER 50 N -3.45 6.75 0.27 3.03 0.01 -1.26 -4.84 113.70 114.21 2noc s SER 50 Ca 0.34 1.67 0.01 0.00 1.31 0.00 0.00 55.95 59.28 2noc s SER 50 Cb 0.03 -2.53 0.61 0.00 0.21 0.00 0.00 66.02 64.34 2noc s SER 50 CO 0.21 -0.50 1.73 1.55 0.41 0.00 0.00 173.24 176.64 2noc h PRO 51 N 1.50 0.48 -0.40 12.44 0.13 -1.98 0.30 132.00 144.47 2noc h PRO 51 Ca -0.48 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.52 2noc h PRO 51 Cb 1.19 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2noc h PRO 51 CO 0.61 0.32 -0.12 1.25 -0.23 0.00 0.00 178.00 179.82 2noc h LEU 52 N 0.49 0.81 -0.70 1.56 6.46 -1.95 -0.84 115.31 121.14 2noc h LEU 52 Ca 0.50 -0.37 -0.11 0.00 -0.12 0.00 0.00 57.88 57.78 2noc h LEU 52 Cb 0.84 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 2noc h LEU 52 CO -0.45 1.00 -0.16 0.44 -0.62 0.00 0.00 178.44 178.65 2noc h ASP 53 N 0.61 0.84 -0.03 1.25 3.32 -1.51 -1.10 116.42 119.80 2noc h ASP 53 Ca 0.10 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.79 2noc h ASP 53 Cb 0.66 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2noc h ASP 53 CO 0.05 1.00 -0.19 0.00 -1.72 0.00 0.00 179.24 178.38 2noc h ALA 54 N 1.07 1.27 -0.28 3.45 0.00 -0.38 -1.85 119.26 122.54 2noc h ALA 54 Ca 0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2noc h ALA 54 Cb 0.68 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2noc h ALA 54 CO 0.05 0.48 0.04 0.00 0.00 0.00 0.00 179.25 179.82 2noc h ARG 55 N 0.36 0.46 -0.23 0.00 3.08 -0.35 -1.96 114.38 115.75 2noc h ARG 55 Ca 0.06 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 2noc h ARG 55 Cb 0.54 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2noc h ARG 55 CO 0.04 0.58 -0.12 0.93 -1.07 0.00 0.00 179.97 180.33 2noc h GLU 56 N 0.28 0.37 -0.06 0.04 5.08 -0.98 0.30 114.58 119.60 2noc h GLU 56 Ca 0.08 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 2noc h GLU 56 Cb 0.34 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2noc h GLU 56 CO 0.01 0.50 -0.50 0.22 -1.00 0.00 0.00 179.01 178.24 2noc h ASP 57 N 0.35 0.18 -0.17 1.42 3.58 -1.15 0.21 116.42 120.83 2noc h ASP 57 Ca 0.07 -0.09 -0.17 0.00 0.42 0.00 0.00 57.03 57.26 2noc h ASP 57 Cb 0.43 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.43 2noc h ASP 57 CO 0.02 0.65 -0.55 -0.07 -2.88 0.00 0.00 179.24 176.41 2noc h LEU 58 N 0.13 0.79 -0.85 2.28 3.38 -0.56 -2.57 115.31 117.91 2noc h LEU 58 Ca 0.00 -0.59 0.01 0.00 0.09 0.00 0.00 57.88 57.39 2noc h LEU 58 Cb 0.92 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2noc h LEU 58 CO 0.07 1.25 0.56 0.40 0.09 0.00 0.00 178.44 180.81 2noc h ILE 59 N 0.37 1.21 -0.26 1.22 2.04 -0.02 0.37 117.51 122.45 2noc h ILE 59 Ca -0.02 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.49 2noc h ILE 59 Cb 1.18 -0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 2noc h ILE 59 CO 0.12 0.21 0.01 0.11 0.00 0.00 0.00 178.15 178.60 2noc h LYS 60 N 1.15 0.09 -0.37 2.37 1.57 -0.60 -0.40 116.57 120.38 2noc h LYS 60 Ca 0.31 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.94 2noc h LYS 60 Cb -0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2noc h LYS 60 CO -0.07 0.06 -0.35 0.87 -0.57 0.00 0.00 179.45 179.38 2noc h LYS 61 N 0.09 0.85 -0.86 3.15 1.57 -0.90 0.27 116.57 120.74 2noc h LYS 61 Ca 0.12 -0.42 0.02 0.00 -1.87 0.00 0.00 60.65 58.50 2noc h LYS 61 Cb 0.16 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 2noc h LYS 61 CO -0.20 1.06 0.56 0.00 -0.57 0.00 0.00 179.45 180.30 2noc h ALA 62 N 0.89 1.11 -0.48 3.86 0.00 -0.16 -0.18 119.26 124.31 2noc h ALA 62 Ca 0.07 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2noc h ALA 62 Cb 0.92 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2noc h ALA 62 CO 0.08 0.45 -0.15 0.22 0.00 0.00 0.00 179.25 179.86 2noc h ASP 63 N 1.12 0.91 0.06 0.00 3.58 -0.57 -0.15 116.42 121.37 2noc h ASP 63 Ca 0.33 -0.31 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 2noc h ASP 63 Cb -0.07 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.73 2noc h ASP 63 CO -0.09 1.05 -0.08 -0.33 -2.88 0.00 0.00 179.24 176.91 2noc h GLU 64 N 0.80 0.07 -0.01 0.28 5.08 0.29 -2.19 114.58 118.90 2noc h GLU 64 Ca 0.12 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2noc h GLU 64 Cb 0.68 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2noc h GLU 64 CO 0.05 0.16 -0.56 1.17 -1.00 0.00 0.00 179.01 178.84 2noc n LYS 65 N -4.40 0.98 -2.77 2.33 4.81 -0.15 -4.98 118.16 113.99 2noc n LYS 65 Ca -0.02 -0.81 -0.08 0.00 -0.87 0.00 0.00 58.31 56.54 2noc n LYS 65 Cb 0.18 -1.48 0.03 0.00 0.02 0.00 0.00 35.03 33.78 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 1.43 0.36 3.79 3.14 0.00 -0.35 -5.02 105.19 108.55 2noc n GLY 66 Ca 0.08 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.11 2.98 -0.19 4.61 0.00 -0.22 -4.78 121.76 121.04 2noc s ALA 67 Ca 0.14 0.65 0.10 0.00 0.00 0.00 0.00 51.96 52.85 2noc s ALA 67 Cb -0.06 -3.26 -0.18 0.00 0.00 0.00 0.00 23.12 19.61 2noc s ALA 67 CO 0.25 -0.26 -0.05 -3.47 0.00 0.00 0.00 175.76 172.23 2noc n ASP 68 N -0.53 1.41 -4.19 0.00 2.03 0.83 -3.33 116.55 112.77 2noc n ASP 68 Ca 0.07 -0.05 -0.26 0.00 0.52 0.00 0.00 54.79 55.07 2noc n ASP 68 Cb 0.51 0.39 -0.16 0.00 -0.72 0.00 0.00 41.12 41.14 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 -2.43 1.52 0.03 5.18 1.01 -0.10 -1.36 120.40 124.25 2noc s VAL 69 Ca -0.17 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.04 2noc s VAL 69 Cb 0.06 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 2noc s VAL 69 CO 0.62 0.43 -0.14 0.68 0.00 0.00 0.00 175.10 176.69 2noc s VAL 70 N -0.37 1.13 -0.23 2.92 -7.23 0.22 -0.05 120.40 116.79 2noc s VAL 70 Ca 0.06 -0.89 0.01 0.00 -1.81 0.00 0.00 61.98 59.35 2noc s VAL 70 Cb -0.08 -1.00 0.05 0.00 0.56 0.00 0.00 36.38 35.91 2noc s VAL 70 CO -0.00 0.10 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.10 2noc s VAL 71 N -0.70 1.80 -1.04 1.32 1.01 0.45 -3.94 120.40 119.29 2noc s VAL 71 Ca 0.03 -1.26 -0.18 0.00 0.00 0.00 0.00 61.98 60.57 2noc s VAL 71 Cb -0.07 -1.92 0.12 0.00 0.00 0.00 0.00 36.38 34.51 2noc s VAL 71 CO 0.01 0.06 1.31 -0.76 0.00 0.00 0.00 175.10 175.71 2noc s LEU 72 N 1.30 4.65 0.06 3.92 1.43 -1.26 -0.82 118.68 127.95 2noc s LEU 72 Ca -0.04 -2.16 0.27 0.00 -1.03 0.00 0.00 54.13 51.17 2noc s LEU 72 Cb -0.18 -2.45 1.08 0.00 0.03 0.00 0.00 46.19 44.67 2noc s LEU 72 CO -0.07 -1.09 1.85 0.35 0.23 0.00 0.00 176.35 177.62 2noc n THR 73 N 5.66 0.25 -1.53 5.49 -2.24 -1.01 -4.81 114.28 116.09 2noc n THR 73 Ca 0.30 -0.05 -0.38 0.00 -2.27 0.00 0.00 64.05 61.65 2noc n THR 73 Cb 0.48 -0.58 -0.08 0.00 -2.10 0.00 0.00 70.33 68.05 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 -1.72 1.41 0.00 3.42 3.41 0.11 -4.47 113.62 115.78 2noc n SER 74 Ca 0.06 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2noc n SER 74 Cb 0.35 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 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 6.23 -1.33 0.35 5.00 0.00 -1.26 -4.86 105.19 109.32 2noc n GLY 75 Ca 0.50 0.49 -0.04 0.00 0.00 0.00 0.00 46.02 46.96 2noc n GLY 75 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2noc h GLN 76 N 0.00 1.23 0.00 1.61 7.50 -1.85 -3.46 115.11 120.15 2noc h GLN 76 Ca 0.00 -0.15 0.00 0.00 0.50 0.00 0.00 58.65 59.00 2noc h GLN 76 Cb 0.00 -0.24 0.00 0.00 0.05 0.00 0.00 27.48 27.29 2noc h GLN 76 CO 0.00 0.91 0.00 2.41 -1.50 0.00 0.00 178.83 180.65 2noc n THR 77 N -4.34 0.00 0.15 -0.54 -1.04 -1.26 -5.04 114.28 102.20 2noc n THR 77 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 2noc n THR 77 Cb 0.10 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 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 0.00 0.00 -0.07 -2.82 1.02 -1.26 -4.97 120.64 112.54 2noc n GLU 78 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 2noc n GLU 78 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.29 2noc n GLU 78 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2noc h ASN 79 N 0.00 0.01 -0.09 1.62 4.21 -1.99 -3.37 115.58 115.98 2noc h ASN 79 Ca 0.00 -1.00 -0.14 0.00 1.21 0.00 0.00 56.30 56.38 2noc h ASN 79 Cb 0.00 -0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.14 2noc h ASN 79 CO 0.00 1.01 -0.13 2.29 -1.29 0.00 0.00 177.43 179.32 2noc n LYS 80 N -4.59 1.58 -3.84 0.81 2.85 -1.26 -4.90 118.16 108.80 2noc n LYS 80 Ca -0.10 -0.69 -0.31 0.00 -1.05 0.00 0.00 58.31 56.15 2noc n LYS 80 Cb 0.49 -1.56 -0.04 0.00 -0.65 0.00 0.00 35.03 33.27 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 0.17 5.33 -0.46 0.58 -4.36 -1.26 -4.56 121.20 116.64 2noc s ILE 81 Ca 0.36 -0.23 0.03 0.00 -0.26 0.00 0.00 60.65 60.54 2noc s ILE 81 Cb 0.18 -3.62 0.15 0.00 1.25 0.00 0.00 42.46 40.43 2noc s ILE 81 CO -0.01 0.13 0.31 -2.28 0.24 0.00 0.00 174.94 173.33 2noc s HIS 82 N -1.53 1.75 0.28 1.37 2.46 -1.26 -4.99 115.29 113.37 2noc s HIS 82 Ca 0.36 -2.41 -0.30 0.00 0.47 0.00 0.00 55.06 53.17 2noc s HIS 82 Cb -0.13 -1.55 -0.12 0.00 -0.13 0.00 0.00 32.58 30.66 2noc s HIS 82 CO 0.26 -0.76 1.61 0.41 -2.47 0.00 0.00 174.74 173.78 2noc n GLY 83 N 3.14 1.36 3.09 1.59 0.00 -1.25 -4.75 105.19 108.36 2noc n GLY 83 Ca 0.18 0.48 -0.17 0.00 0.00 0.00 0.00 46.02 46.51 2noc n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2noc s THR 84 N 0.13 0.79 -0.03 2.61 -4.23 -1.26 0.17 115.64 113.82 2noc s THR 84 Ca 0.65 -0.94 0.02 0.00 -1.18 0.00 0.00 61.69 60.25 2noc s THR 84 Cb -0.50 -0.76 0.01 0.00 1.34 0.00 0.00 72.50 72.58 2noc s THR 84 CO 0.47 -0.15 -0.10 0.00 -0.54 0.00 0.00 174.62 174.30 2noc s ALA 85 N -0.98 0.94 -0.35 3.99 0.00 -0.31 0.07 121.76 125.11 2noc s ALA 85 Ca -0.03 -0.35 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 2noc s ALA 85 Cb -0.08 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.69 2noc s ALA 85 CO 0.01 0.14 0.20 0.34 0.00 0.00 0.00 175.76 176.45 2noc s ASP 86 N 0.28 5.74 0.15 0.00 -1.08 -0.00 -1.84 116.67 119.93 2noc s ASP 86 Ca -0.05 -0.77 0.09 0.00 -0.52 0.00 0.00 52.55 51.31 2noc s ASP 86 Cb -0.10 -2.04 -0.04 0.00 -1.46 0.00 0.00 42.92 39.28 2noc s ASP 86 CO 0.01 -0.31 -0.16 0.27 0.52 0.00 0.00 175.17 175.49 2noc s ILE 87 N 1.60 2.86 0.08 4.11 -4.36 -1.26 -0.42 121.20 123.83 2noc s ILE 87 Ca 0.04 -1.67 0.05 0.00 -0.26 0.00 0.00 60.65 58.81 2noc s ILE 87 Cb -0.18 -2.36 -0.03 0.00 1.25 0.00 0.00 42.46 41.13 2noc s ILE 87 CO 0.07 -0.02 -0.13 -0.31 0.24 0.00 0.00 174.94 174.79 2noc s TYR 88 N -1.45 1.21 0.09 1.37 1.51 0.93 -4.15 117.35 116.86 2noc s TYR 88 Ca 0.21 -0.51 0.10 0.00 -1.01 0.00 0.00 57.07 55.86 2noc s TYR 88 Cb -0.09 -0.67 -0.03 0.00 -0.11 0.00 0.00 41.96 41.05 2noc s TYR 88 CO 0.12 0.06 -0.26 0.21 -1.11 0.00 0.00 175.55 174.57 2noc s LYS 89 N -2.05 1.52 0.58 -0.62 2.36 0.20 -0.12 119.74 121.61 2noc s LYS 89 Ca 0.01 -1.21 -0.20 0.00 -2.55 0.00 0.00 55.97 52.02 2noc s LYS 89 Cb -0.08 -1.85 -0.04 0.00 -1.05 0.00 0.00 37.83 34.81 2noc s LYS 89 CO 0.02 0.46 1.23 0.15 1.55 0.00 0.00 175.35 178.75 2noc s LYS 90 N -1.66 3.05 0.76 4.03 1.02 -1.26 0.00 119.74 125.68 2noc s LYS 90 Ca 0.12 1.89 -0.02 0.00 0.02 0.00 0.00 55.97 57.98 2noc s LYS 90 Cb -0.10 -2.02 0.15 0.00 -0.52 0.00 0.00 37.83 35.34 2noc s LYS 90 CO 0.04 -1.16 1.05 0.15 -0.92 0.00 0.00 175.35 174.51 2noc s LYS 91 N -3.21 1.46 -0.06 1.68 1.02 -1.24 -4.64 119.74 114.75 2noc s LYS 91 Ca 0.76 -1.10 0.15 0.00 0.02 0.00 0.00 55.97 55.79 2noc s LYS 91 Cb -0.32 -2.27 0.52 0.00 -0.52 0.00 0.00 37.83 35.24 2noc s LYS 91 CO 0.35 -1.63 1.40 1.47 -0.92 0.00 0.00 175.35 176.03 2noc n LEU 92 N -2.98 3.41 -4.75 3.17 -0.00 -1.26 -4.94 117.00 109.66 2noc n LEU 92 Ca 0.16 -1.72 -0.41 0.00 -0.00 0.00 0.00 56.01 54.05 2noc n LEU 92 Cb 0.61 -0.45 -0.04 0.00 -0.00 0.00 0.00 43.42 43.53 2noc n LEU 92 CO 0.42 0.66 0.81 -0.70 -0.00 0.00 0.00 177.39 178.58 2noc s GLU 93 N -1.60 4.60 -1.06 1.47 -6.30 -1.26 -4.97 118.70 109.58 2noc s GLU 93 Ca 0.38 1.78 -0.04 0.00 -2.50 0.00 0.00 54.97 54.59 2noc s GLU 93 Cb 0.23 -3.23 0.31 0.00 0.00 0.00 0.00 34.13 31.43 2noc s GLU 93 CO 0.21 0.11 1.45 0.72 0.02 0.00 0.00 175.26 177.76 2noc n HIS 94 N 1.88 2.32 -0.02 5.30 8.25 -1.26 -4.79 115.22 126.91 2noc n HIS 94 Ca 0.01 -2.66 -0.01 0.00 -0.26 0.00 0.00 57.72 54.81 2noc n HIS 94 Cb 0.45 -1.22 -0.00 0.00 1.12 0.00 0.00 29.99 30.34 2noc n HIS 94 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2noc h HIS 95 N 5.38 0.00 -2.97 4.41 2.76 -1.99 -3.45 115.15 119.29 2noc h HIS 95 Ca 0.20 0.00 -0.60 0.00 -2.20 0.00 0.00 60.37 57.77 2noc h HIS 95 Cb 0.62 0.00 -0.40 0.00 1.55 0.00 0.00 27.41 29.18 2noc h HIS 95 CO 1.00 0.00 -0.75 -1.58 -1.30 0.00 0.00 177.93 175.30 2noc s HIS 96 N -1.32 1.79 -0.16 5.26 2.46 -1.26 -5.08 115.29 116.98 2noc s HIS 96 Ca -0.02 -2.22 -0.00 0.00 0.47 0.00 0.00 55.06 53.29 2noc s HIS 96 Cb 0.00 -1.75 -0.00 0.00 -0.13 0.00 0.00 32.58 30.70 2noc s HIS 96 CO 0.03 -0.81 -0.15 -1.58 -2.47 0.00 0.00 174.74 169.77 2noc s HIS 97 N 0.65 2.80 -0.12 3.88 5.04 -1.26 -5.10 115.29 121.18 2noc s HIS 97 Ca 0.16 -1.09 -0.23 0.00 -1.54 0.00 0.00 55.06 52.37 2noc s HIS 97 Cb -0.23 -1.91 -0.03 0.00 0.04 0.00 0.00 32.58 30.45 2noc s HIS 97 CO -0.03 -0.51 0.69 -1.58 -2.34 0.00 0.00 174.74 170.97 2noc s HIS 98 N 0.92 3.50 0.00 3.88 2.46 -1.26 -5.21 115.29 119.57 2noc s HIS 98 Ca -0.03 1.15 0.00 0.00 0.47 0.00 0.00 55.06 56.65 2noc s HIS 98 Cb -0.15 -2.82 0.00 0.00 -0.13 0.00 0.00 32.58 29.48 2noc s HIS 98 CO -0.02 -0.03 0.00 1.58 -2.47 0.00 0.00 174.74 173.80