#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 0.76 0.33 0.03 2.20 -1.26 -5.10 119.74 116.70 2noc s LYS 2 Ca 0.00 -1.10 -0.05 0.00 -0.36 0.00 0.00 55.97 54.46 2noc s LYS 2 Cb 0.00 -2.06 0.01 0.00 -1.51 0.00 0.00 37.83 34.27 2noc s LYS 2 CO 0.00 -0.97 0.49 -0.08 -0.36 0.00 0.00 175.35 174.43 2noc s THR 3 N 1.58 0.00 -0.02 3.43 -1.32 -1.26 -5.09 115.64 112.96 2noc s THR 3 Ca 0.09 -1.53 0.01 0.00 -1.21 0.00 0.00 61.69 59.05 2noc s THR 3 Cb -0.17 -2.60 0.03 0.00 -1.51 0.00 0.00 72.50 68.25 2noc s THR 3 CO -0.24 0.00 0.55 0.61 -2.21 0.00 0.00 174.62 173.33 2noc n GLY 4 N -0.53 -0.76 3.53 6.08 0.00 -1.26 -5.14 105.19 107.11 2noc n GLY 4 Ca -0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2noc n GLY 4 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2noc s TYR 5 N 0.01 3.02 -0.66 1.61 2.02 -1.26 -5.06 117.35 117.02 2noc s TYR 5 Ca 0.01 -0.18 -0.18 0.00 -0.37 0.00 0.00 57.07 56.35 2noc s TYR 5 Cb 0.03 -1.88 0.12 0.00 -0.40 0.00 0.00 41.96 39.83 2noc s TYR 5 CO -0.01 0.10 0.76 0.15 -1.57 0.00 0.00 175.55 174.98 2noc s LYS 6 N -0.05 3.18 -0.01 -0.62 1.02 -1.26 -5.02 119.74 116.98 2noc s LYS 6 Ca 0.01 -1.53 0.06 0.00 0.02 0.00 0.00 55.97 54.53 2noc s LYS 6 Cb -0.13 -4.37 -0.02 0.00 -0.52 0.00 0.00 37.83 32.79 2noc s LYS 6 CO 0.03 -1.53 -0.19 0.54 -0.92 0.00 0.00 175.35 173.27 2noc s VAL 7 N 2.33 1.52 -0.00 3.17 0.11 -1.26 -5.14 120.40 121.12 2noc s VAL 7 Ca 0.15 -0.85 -0.09 0.00 -2.93 0.00 0.00 61.98 58.25 2noc s VAL 7 Cb -0.20 -1.27 0.01 0.00 -1.53 0.00 0.00 36.38 33.39 2noc s VAL 7 CO 0.02 0.40 0.17 0.00 -3.33 0.00 0.00 175.10 172.37 2noc s MET 8 N -0.52 0.52 -0.33 1.54 0.23 -1.26 -5.12 119.30 114.35 2noc s MET 8 Ca 0.07 -0.35 -0.02 0.00 -1.03 0.00 0.00 55.69 54.37 2noc s MET 8 Cb -0.07 0.22 0.07 0.00 -1.53 0.00 0.00 34.83 33.51 2noc s MET 8 CO -0.00 -0.13 0.05 -0.51 -2.03 0.00 0.00 175.02 172.40 2noc s LEU 9 N -1.35 4.27 -0.06 0.18 1.43 -1.26 -4.93 118.68 116.96 2noc s LEU 9 Ca -0.14 -1.50 0.08 0.00 -1.03 0.00 0.00 54.13 51.53 2noc s LEU 9 Cb -0.07 -1.73 -0.11 0.00 0.03 0.00 0.00 46.19 44.30 2noc s LEU 9 CO 0.02 -0.33 0.08 0.61 0.23 0.00 0.00 176.35 176.95 2noc n GLY 10 N 4.59 -0.40 3.56 -3.19 0.00 -1.26 -4.88 105.19 103.61 2noc n GLY 10 Ca -0.10 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.32 2.61 -0.02 4.61 0.00 -1.26 -4.94 121.76 120.44 2noc s ALA 11 Ca -0.04 -2.13 0.03 0.00 0.00 0.00 0.00 51.96 49.82 2noc s ALA 11 Cb 0.03 -4.52 0.00 0.00 0.00 0.00 0.00 23.12 18.64 2noc s ALA 11 CO 0.34 -3.72 -0.10 -1.17 0.00 0.00 0.00 175.76 171.11 2noc s LEU 12 N 5.54 1.83 0.23 0.00 2.96 -1.26 -5.15 118.68 122.84 2noc s LEU 12 Ca 0.48 -0.20 -0.07 0.00 -0.22 0.00 0.00 54.13 54.12 2noc s LEU 12 Cb -0.01 -0.59 -0.06 0.00 0.50 0.00 0.00 46.19 46.03 2noc s LEU 12 CO -0.08 0.08 0.51 0.00 -1.32 0.00 0.00 176.35 175.55 2noc s ALA 13 N 0.12 3.64 -0.02 5.97 0.00 -1.26 -5.10 121.76 125.10 2noc s ALA 13 Ca -0.02 -0.44 0.06 0.00 0.00 0.00 0.00 51.96 51.56 2noc s ALA 13 Cb -0.08 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 2noc s ALA 13 CO 0.00 0.44 -0.21 -0.59 0.00 0.00 0.00 175.76 175.40 2noc s PHE 14 N -1.88 1.95 -0.28 0.00 -0.12 -1.26 -5.13 117.98 111.25 2noc s PHE 14 Ca 0.45 -0.39 -0.18 0.00 -0.05 0.00 0.00 56.93 56.75 2noc s PHE 14 Cb -0.11 -1.26 0.09 0.00 -0.63 0.00 0.00 43.02 41.11 2noc s PHE 14 CO 0.25 -0.05 0.76 0.54 -0.05 0.00 0.00 175.22 176.67 2noc s VAL 15 N -0.45 0.00 -0.05 -2.49 0.11 -1.26 -5.14 120.40 111.12 2noc s VAL 15 Ca 0.07 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.10 2noc s VAL 15 Cb -0.09 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.80 2noc s VAL 15 CO -0.00 0.00 0.08 0.54 -3.33 0.00 0.00 175.10 172.39 2noc s VAL 16 N 1.29 -0.14 -0.01 2.04 0.11 -1.26 -5.15 120.40 117.27 2noc s VAL 16 Ca -0.07 0.41 0.03 0.00 -2.93 0.00 0.00 61.98 59.41 2noc s VAL 16 Cb -0.05 -0.18 -0.00 0.00 -1.53 0.00 0.00 36.38 34.62 2noc s VAL 16 CO -0.15 0.17 -0.09 0.28 -3.33 0.00 0.00 175.10 171.98 2noc s THR 17 N 2.16 0.77 -0.50 5.04 -1.32 -1.26 -5.09 115.64 115.44 2noc s THR 17 Ca 0.04 -0.40 0.03 0.00 -1.21 0.00 0.00 61.69 60.16 2noc s THR 17 Cb -0.12 -0.66 0.15 0.00 -1.51 0.00 0.00 72.50 70.36 2noc s THR 17 CO -0.04 0.22 0.33 0.20 -2.21 0.00 0.00 174.62 173.12 2noc s ASN 18 N -0.11 3.51 -0.33 8.08 -0.87 -1.26 -4.92 114.94 119.04 2noc s ASN 18 Ca 0.02 -3.04 0.09 0.00 -1.57 0.00 0.00 52.86 48.35 2noc s ASN 18 Cb -0.05 -1.08 0.65 0.00 -0.02 0.00 0.00 41.25 40.75 2noc s ASN 18 CO -0.00 -0.20 1.71 1.33 -2.57 0.00 0.00 177.10 177.37 2noc n VAL 19 N 2.98 2.84 -3.95 1.60 0.24 -1.26 -4.87 118.33 115.93 2noc n VAL 19 Ca 0.16 -1.98 -0.30 0.00 -2.04 0.00 0.00 64.34 60.17 2noc n VAL 19 Cb 0.37 -0.36 -0.15 0.00 -1.47 0.00 0.00 33.84 32.22 2noc n VAL 19 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2noc s TYR 20 N -3.11 2.56 -0.09 6.34 2.02 -1.26 -4.94 117.35 118.87 2noc s TYR 20 Ca 0.52 -1.93 -0.21 0.00 -0.37 0.00 0.00 57.07 55.08 2noc s TYR 20 Cb 0.43 -1.75 -0.18 0.00 -0.40 0.00 0.00 41.96 40.07 2noc s TYR 20 CO 0.09 -0.81 0.73 0.00 -1.57 0.00 0.00 175.55 174.00 2noc h ALA 21 N 7.91 -0.07 -6.40 3.71 0.00 -1.78 -3.49 119.26 119.15 2noc h ALA 21 Ca -0.16 -0.30 -0.42 0.00 0.00 0.00 0.00 54.91 54.02 2noc h ALA 21 Cb 1.06 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.91 2noc h ALA 21 CO 0.43 -0.12 -0.86 0.00 0.00 0.00 0.00 179.25 178.69 2noc n ALA 22 N -2.60 -2.64 -2.35 0.00 0.00 0.42 -4.98 120.51 108.37 2noc n ALA 22 Ca -0.07 -0.28 -0.18 0.00 0.00 0.00 0.00 53.44 52.91 2noc n ALA 22 Cb 0.31 -2.39 -0.10 0.00 0.00 0.00 0.00 19.45 17.27 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 -5.48 1.34 -0.19 0.00 2.12 -0.20 -4.91 118.70 111.39 2noc s GLU 23 Ca 0.26 -1.64 -0.24 0.00 0.36 0.00 0.00 54.97 53.71 2noc s GLU 23 Cb -0.11 -0.91 -0.02 0.00 0.26 0.00 0.00 34.13 33.36 2noc s GLU 23 CO 0.88 0.05 0.76 0.42 -0.54 0.00 0.00 175.26 176.82 2noc s ILE 24 N -3.16 4.93 -0.12 -3.70 -1.09 -1.26 -2.34 121.20 114.45 2noc s ILE 24 Ca 0.25 1.46 -0.06 0.00 -2.23 0.00 0.00 60.65 60.07 2noc s ILE 24 Cb 0.03 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 2noc s ILE 24 CO 0.07 0.05 0.10 -0.04 -1.23 0.00 0.00 174.94 173.90 2noc s MET 25 N 2.11 3.44 0.56 2.79 -1.94 -1.26 -5.03 119.30 119.97 2noc s MET 25 Ca 0.34 -0.22 -0.21 0.00 -1.71 0.00 0.00 55.69 53.89 2noc s MET 25 Cb -0.16 -3.12 -0.04 0.00 2.01 0.00 0.00 34.83 33.52 2noc s MET 25 CO 0.11 0.68 1.36 0.15 -0.01 0.00 0.00 175.02 177.32 2noc s LYS 26 N -0.78 3.05 0.36 2.03 -0.14 -1.26 -4.69 119.74 118.31 2noc s LYS 26 Ca 0.13 2.24 0.04 0.00 -1.36 0.00 0.00 55.97 57.03 2noc s LYS 26 Cb -0.12 -2.21 0.68 0.00 -1.68 0.00 0.00 37.83 34.50 2noc s LYS 26 CO 0.03 -1.26 1.96 -0.22 -0.76 0.00 0.00 175.35 175.09 2noc h LYS 27 N 1.33 0.61 -0.66 1.68 3.64 -1.98 0.87 116.57 122.08 2noc h LYS 27 Ca -0.51 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 58.77 2noc h LYS 27 Cb 1.31 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 2noc h LYS 27 CO 0.57 0.50 0.31 1.15 -2.27 0.00 0.00 179.45 179.71 2noc h THR 28 N 0.61 1.22 -0.01 1.00 2.02 -2.00 -0.03 112.91 115.73 2noc h THR 28 Ca 0.15 -0.64 -0.16 0.00 0.77 0.00 0.00 66.41 66.53 2noc h THR 28 Cb 0.11 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 2noc h THR 28 CO -0.02 0.26 -0.75 -0.78 0.37 0.00 0.00 175.52 174.60 2noc h ASP 29 N 0.91 0.10 -0.48 4.18 3.58 -1.57 -3.10 116.42 120.04 2noc h ASP 29 Ca 0.23 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 2noc h ASP 29 Cb 0.13 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 2noc h ASP 29 CO -0.03 0.81 0.26 0.15 -2.88 0.00 0.00 179.24 177.55 2noc h PHE 30 N 0.05 0.67 -0.09 0.28 3.57 0.14 0.53 116.94 122.08 2noc h PHE 30 Ca -0.02 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 2noc h PHE 30 Cb 1.32 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 2noc h PHE 30 CO 0.01 0.50 -0.17 -0.44 -2.23 0.00 0.00 178.31 175.98 2noc h ASP 31 N 0.64 0.14 -0.01 0.41 5.19 -1.03 0.21 116.42 121.97 2noc h ASP 31 Ca 0.17 -0.03 -0.15 0.00 -0.62 0.00 0.00 57.03 56.40 2noc h ASP 31 Cb 0.06 -0.04 0.01 0.00 0.18 0.00 0.00 39.33 39.54 2noc h ASP 31 CO -0.03 0.33 -0.59 0.11 -3.12 0.00 0.00 179.24 175.94 2noc h LYS 32 N 0.14 0.43 -0.00 3.56 6.56 -1.28 -3.26 116.57 122.72 2noc h LYS 32 Ca 0.03 -0.44 0.00 0.00 -1.06 0.00 0.00 60.65 59.18 2noc h LYS 32 Cb 0.39 0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.17 2noc h LYS 32 CO 0.03 1.10 -0.01 1.33 -2.06 0.00 0.00 179.45 179.83 2noc n VAL 33 N -4.22 0.00 0.29 0.50 0.24 0.18 -2.18 118.33 113.15 2noc n VAL 33 Ca -0.10 -0.00 0.18 0.00 -2.04 0.00 0.00 64.34 62.37 2noc n VAL 33 Cb 0.67 -0.47 0.88 0.00 -1.47 0.00 0.00 33.84 33.44 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 3.21 1.00 0.00 2.33 0.00 -0.62 0.19 119.26 125.37 2noc h ALA 34 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2noc h ALA 34 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2noc h ALA 34 CO 0.00 0.00 -1.24 1.03 0.00 0.00 0.00 179.25 179.04 2noc h SER 35 N 0.00 0.00 -0.33 0.00 0.87 -1.61 -3.37 113.55 109.12 2noc h SER 35 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2noc h SER 35 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2noc h SER 35 CO 0.00 0.72 0.00 -0.62 -0.53 0.00 0.00 176.83 176.40 2noc n GLU 36 N -3.06 2.23 -4.36 2.24 1.02 -0.11 -4.99 120.64 113.60 2noc n GLU 36 Ca -0.08 -2.00 -0.19 0.00 -0.02 0.00 0.00 57.16 54.88 2noc n GLU 36 Cb 0.88 -1.36 -0.10 0.00 -0.02 0.00 0.00 31.44 30.84 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 -1.14 1.64 -0.07 -0.32 1.51 0.47 -1.18 117.35 118.26 2noc s TYR 37 Ca 0.28 -1.25 -0.05 0.00 -1.01 0.00 0.00 57.07 55.05 2noc s TYR 37 Cb 0.16 -0.95 0.03 0.00 -0.11 0.00 0.00 41.96 41.09 2noc s TYR 37 CO 0.22 -0.38 0.17 0.99 -1.11 0.00 0.00 175.55 175.45 2noc s THR 38 N -3.58 -0.03 -0.22 -0.71 2.01 0.16 -4.80 115.64 108.48 2noc s THR 38 Ca 0.35 0.10 -0.24 0.00 0.31 0.00 0.00 61.69 62.21 2noc s THR 38 Cb 0.06 -0.27 -0.01 0.00 0.01 0.00 0.00 72.50 72.29 2noc s THR 38 CO 0.16 0.04 0.78 -0.75 -0.69 0.00 0.00 174.62 174.16 2noc s LYS 39 N 0.75 4.21 0.00 4.92 2.20 -1.26 0.58 119.74 131.14 2noc s LYS 39 Ca -0.05 0.88 0.25 0.00 -0.36 0.00 0.00 55.97 56.68 2noc s LYS 39 Cb -0.07 -3.62 0.57 0.00 -1.51 0.00 0.00 37.83 33.21 2noc s LYS 39 CO -0.04 -0.42 1.45 0.44 -0.36 0.00 0.00 175.35 176.43 2noc n ILE 40 N 5.03 0.00 0.00 5.43 -5.35 -1.23 -4.95 119.36 118.28 2noc n ILE 40 Ca 0.04 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 2noc n ILE 40 Cb 0.48 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 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 1.42 2.06 3.76 3.28 0.00 -1.26 -5.09 105.19 109.36 2noc n GLY 41 Ca 0.09 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.61 4.59 0.32 2.61 2.01 -1.26 -2.84 115.64 119.45 2noc s THR 42 Ca 0.00 -0.53 0.10 0.00 0.31 0.00 0.00 61.69 61.56 2noc s THR 42 Cb 0.00 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 2noc s THR 42 CO 0.00 0.29 -0.02 0.27 -0.69 0.00 0.00 174.62 174.47 2noc s ILE 43 N -1.23 2.76 0.32 1.82 -4.36 0.69 -4.98 121.20 116.22 2noc s ILE 43 Ca 0.24 -2.02 -0.09 0.00 -0.26 0.00 0.00 60.65 58.51 2noc s ILE 43 Cb -0.12 -2.74 0.01 0.00 1.25 0.00 0.00 42.46 40.87 2noc s ILE 43 CO 0.15 -0.26 0.56 -0.55 0.24 0.00 0.00 174.94 175.08 2noc s SER 44 N -3.68 0.35 0.38 4.36 0.15 -1.26 -1.06 113.70 112.93 2noc s SER 44 Ca 0.33 -1.20 -0.10 0.00 0.70 0.00 0.00 55.95 55.69 2noc s SER 44 Cb -0.02 0.69 0.04 0.00 -1.71 0.00 0.00 66.02 65.01 2noc s SER 44 CO 0.19 -1.34 0.68 1.07 1.20 0.00 0.00 173.24 175.03 2noc n THR 45 N -0.50 0.00 -3.55 6.45 5.66 -0.12 -4.92 114.28 117.30 2noc n THR 45 Ca -0.02 -1.32 -0.38 0.00 -3.05 0.00 0.00 64.05 59.28 2noc n THR 45 Cb 0.61 1.04 -0.06 0.00 -1.55 0.00 0.00 70.33 70.37 2noc n THR 45 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2noc s THR 46 N -2.39 5.09 -1.43 1.09 2.01 -1.26 -4.06 115.64 114.69 2noc s THR 46 Ca 0.21 0.72 0.20 0.00 0.31 0.00 0.00 61.69 63.14 2noc s THR 46 Cb -0.03 -3.67 0.35 0.00 0.01 0.00 0.00 72.50 69.16 2noc s THR 46 CO 0.16 0.55 1.63 0.61 -0.69 0.00 0.00 174.62 176.88 2noc n GLY 47 N 1.74 -0.95 2.13 4.40 0.00 -1.21 -3.44 105.19 107.87 2noc n GLY 47 Ca -0.14 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 2noc n GLY 47 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2noc n GLU 48 N -1.29 2.29 -4.37 1.61 0.28 -1.26 -3.48 120.64 114.42 2noc n GLU 48 Ca 0.09 -2.62 -0.19 0.00 -0.16 0.00 0.00 57.16 54.29 2noc n GLU 48 Cb 0.16 -2.03 -0.10 0.00 1.43 0.00 0.00 31.44 30.90 2noc n GLU 48 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 2noc s MET 49 N -3.01 1.41 0.58 3.44 -1.94 -1.22 -5.12 119.30 113.45 2noc s MET 49 Ca 0.51 -1.69 -0.17 0.00 -1.71 0.00 0.00 55.69 52.64 2noc s MET 49 Cb 0.41 -1.01 -0.04 0.00 2.01 0.00 0.00 34.83 36.20 2noc s MET 49 CO 0.01 0.06 1.09 -1.12 -0.01 0.00 0.00 175.02 175.05 2noc s SER 50 N -3.36 5.65 0.10 3.03 0.01 -1.26 -4.52 113.70 113.34 2noc s SER 50 Ca 0.26 1.98 -0.29 0.00 1.31 0.00 0.00 55.95 59.21 2noc s SER 50 Cb 0.03 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.59 2noc s SER 50 CO 0.09 -1.26 1.62 1.55 0.41 0.00 0.00 173.24 175.65 2noc h PRO 51 N 0.67 -0.60 -0.22 12.44 0.13 -1.86 0.18 132.00 142.75 2noc h PRO 51 Ca -0.48 0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.56 2noc h PRO 51 Cb 1.24 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 2noc h PRO 51 CO 0.56 -0.40 -0.39 1.25 -0.23 0.00 0.00 178.00 178.79 2noc h LEU 52 N -0.62 0.54 -0.15 1.56 6.46 -1.93 -1.91 115.31 119.26 2noc h LEU 52 Ca -0.00 -0.23 -0.01 0.00 -0.12 0.00 0.00 57.88 57.52 2noc h LEU 52 Cb 0.59 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 2noc h LEU 52 CO -0.09 0.88 0.07 -0.78 -0.62 0.00 0.00 178.44 177.90 2noc h ASP 53 N 0.43 0.19 0.23 1.25 3.58 -1.85 0.13 116.42 120.37 2noc h ASP 53 Ca 0.04 -0.12 -0.07 0.00 0.42 0.00 0.00 57.03 57.30 2noc h ASP 53 Cb 0.88 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.86 2noc h ASP 53 CO 0.07 0.26 -0.29 0.00 -2.88 0.00 0.00 179.24 176.41 2noc h ALA 54 N 0.94 1.41 -0.08 -0.78 0.00 -0.56 0.18 119.26 120.38 2noc h ALA 54 Ca 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2noc h ALA 54 Cb 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2noc h ALA 54 CO -0.01 0.42 -0.05 0.00 0.00 0.00 0.00 179.25 179.62 2noc h ARG 55 N 0.09 0.18 0.00 0.00 3.08 -0.89 -1.28 114.38 115.56 2noc h ARG 55 Ca 0.01 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2noc h ARG 55 Cb 0.56 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 2noc h ARG 55 CO 0.04 0.56 -0.10 0.93 -1.07 0.00 0.00 179.97 180.34 2noc h GLU 56 N -0.22 0.00 -0.31 0.04 4.39 -0.43 0.37 114.58 118.42 2noc h GLU 56 Ca 0.02 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 2noc h GLU 56 Cb 0.52 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2noc h GLU 56 CO 0.01 0.10 0.04 0.22 -1.16 0.00 0.00 179.01 178.23 2noc h ASP 57 N 0.00 0.49 -0.22 1.42 3.58 -0.77 0.12 116.42 121.05 2noc h ASP 57 Ca -0.00 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.15 2noc h ASP 57 Cb 0.18 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2noc h ASP 57 CO 0.01 0.64 0.03 -0.07 -2.88 0.00 0.00 179.24 176.96 2noc h LEU 58 N 0.33 0.35 -0.63 2.28 3.38 -0.14 -1.93 115.31 118.96 2noc h LEU 58 Ca 0.09 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 2noc h LEU 58 Cb 0.36 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2noc h LEU 58 CO 0.01 0.54 0.11 0.40 0.09 0.00 0.00 178.44 179.59 2noc h ILE 59 N 0.15 1.26 -0.10 1.22 2.04 -0.23 0.22 117.51 122.06 2noc h ILE 59 Ca 0.06 -0.99 -0.13 0.00 1.00 0.00 0.00 64.86 64.80 2noc h ILE 59 Cb 0.34 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2noc h ILE 59 CO 0.01 0.37 -0.53 0.07 0.00 0.00 0.00 178.15 178.07 2noc h LYS 60 N 0.94 0.28 -0.28 2.37 2.10 -0.77 -2.04 116.57 119.17 2noc h LYS 60 Ca 0.19 -0.17 -0.14 0.00 -2.00 0.00 0.00 60.65 58.54 2noc h LYS 60 Cb 0.41 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.76 2noc h LYS 60 CO 0.01 0.74 -0.36 -0.22 -2.00 0.00 0.00 179.45 177.62 2noc h LYS 61 N 0.22 0.73 -0.62 0.07 3.64 -0.93 0.57 116.57 120.25 2noc h LYS 61 Ca 0.01 -0.42 0.03 0.00 -1.27 0.00 0.00 60.65 59.00 2noc h LYS 61 Cb 1.00 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 2noc h LYS 61 CO 0.08 1.04 0.41 0.00 -2.27 0.00 0.00 179.45 178.71 2noc h ALA 62 N 0.68 1.66 -0.25 5.00 0.00 -0.92 0.18 119.26 125.61 2noc h ALA 62 Ca 0.03 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2noc h ALA 62 Cb 0.94 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2noc h ALA 62 CO 0.08 0.28 -0.52 0.22 0.00 0.00 0.00 179.25 179.31 2noc h ASP 63 N 0.74 0.81 -0.42 0.00 3.58 -0.75 0.29 116.42 120.66 2noc h ASP 63 Ca 0.25 -0.42 -0.06 0.00 0.42 0.00 0.00 57.03 57.22 2noc h ASP 63 Cb 0.07 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 2noc h ASP 63 CO -0.07 1.18 0.07 -0.33 -2.88 0.00 0.00 179.24 177.22 2noc h GLU 64 N 0.57 0.77 0.00 0.28 5.08 0.11 -2.69 114.58 118.70 2noc h GLU 64 Ca 0.02 -0.17 -0.22 0.00 -1.00 0.00 0.00 59.36 57.98 2noc h GLU 64 Cb 1.10 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 2noc h GLU 64 CO 0.11 0.73 -1.21 -0.22 -1.00 0.00 0.00 179.01 177.42 2noc h LYS 65 N 0.74 0.00 -0.22 2.33 3.64 -0.62 -3.49 116.57 118.96 2noc h LYS 65 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2noc h LYS 65 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2noc h LYS 65 CO 0.01 0.73 0.00 0.41 -2.27 0.00 0.00 179.45 178.33 2noc n GLY 66 N 1.41 0.84 3.88 5.01 0.00 0.73 -5.08 105.19 111.98 2noc n GLY 66 Ca -0.06 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2noc n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2noc s ALA 67 N -1.92 3.21 -0.08 4.61 0.00 0.44 -4.90 121.76 123.12 2noc s ALA 67 Ca 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 51.96 51.81 2noc s ALA 67 Cb 0.00 -2.90 -0.11 0.00 0.00 0.00 0.00 23.12 20.10 2noc s ALA 67 CO 0.00 -0.56 0.05 -0.25 0.00 0.00 0.00 175.76 175.00 2noc n ASP 68 N -2.55 2.81 -4.18 0.00 8.00 0.58 -3.28 116.55 117.93 2noc n ASP 68 Ca 0.04 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.30 2noc n ASP 68 Cb 0.54 0.79 -0.15 0.00 -0.02 0.00 0.00 41.12 42.28 2noc n ASP 68 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2noc s VAL 69 N -2.26 1.40 0.01 2.53 1.01 0.85 -0.43 120.40 123.51 2noc s VAL 69 Ca -0.04 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.18 2noc s VAL 69 Cb 0.03 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 2noc s VAL 69 CO 0.37 0.34 -0.20 0.68 0.00 0.00 0.00 175.10 176.28 2noc s VAL 70 N -0.50 1.61 -0.30 2.92 -7.23 -0.99 -0.07 120.40 115.86 2noc s VAL 70 Ca 0.06 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 2noc s VAL 70 Cb -0.07 -1.37 0.09 0.00 0.56 0.00 0.00 36.38 35.59 2noc s VAL 70 CO -0.00 0.33 0.06 -0.69 -0.31 0.00 0.00 175.10 174.49 2noc s VAL 71 N -0.63 1.24 -0.99 1.32 1.01 -0.35 -4.45 120.40 117.55 2noc s VAL 71 Ca 0.07 -1.52 -0.23 0.00 0.00 0.00 0.00 61.98 60.31 2noc s VAL 71 Cb -0.08 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.47 2noc s VAL 71 CO 0.00 -0.55 1.55 -0.76 0.00 0.00 0.00 175.10 175.35 2noc s LEU 72 N 1.45 3.42 0.23 3.92 1.43 -1.26 -1.05 118.68 126.82 2noc s LEU 72 Ca 0.07 -1.26 0.26 0.00 -1.03 0.00 0.00 54.13 52.17 2noc s LEU 72 Cb -0.18 -2.57 0.75 0.00 0.03 0.00 0.00 46.19 44.22 2noc s LEU 72 CO -0.18 -1.78 1.74 0.71 0.23 0.00 0.00 176.35 177.08 2noc h THR 73 N 6.88 0.00 -4.46 5.49 1.35 -1.91 -3.47 112.91 116.80 2noc h THR 73 Ca 0.17 -0.53 -0.36 0.00 -0.55 0.00 0.00 66.41 65.14 2noc h THR 73 Cb 1.01 1.51 -0.10 0.00 -1.73 0.00 0.00 68.15 68.84 2noc h THR 73 CO 1.38 0.00 -0.32 -0.44 -0.25 0.00 0.00 175.52 175.89 2noc s SER 74 N -4.69 1.21 0.00 5.36 0.01 -0.57 -4.96 113.70 110.07 2noc s SER 74 Ca 0.10 -1.60 0.00 0.00 1.31 0.00 0.00 55.95 55.76 2noc s SER 74 Cb 0.12 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.96 2noc s SER 74 CO 0.61 -1.19 0.00 0.61 0.41 0.00 0.00 173.24 173.68 2noc n GLY 75 N -0.58 2.48 1.96 3.44 0.00 -1.26 -4.14 105.19 107.08 2noc n GLY 75 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 2noc n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2noc n GLN 76 N -1.06 2.01 0.08 1.61 1.13 -1.26 -3.90 117.38 116.00 2noc n GLN 76 Ca 0.00 -2.26 0.11 0.00 -1.94 0.00 0.00 57.00 52.90 2noc n GLN 76 Cb 0.00 -1.89 -0.03 0.00 0.11 0.00 0.00 30.24 28.43 2noc n GLN 76 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2noc n THR 77 N -0.58 0.58 0.00 5.09 -1.04 -1.26 -4.98 114.28 112.08 2noc n THR 77 Ca 0.45 -0.55 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2noc n THR 77 Cb 1.15 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 69.34 2noc n THR 77 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2noc n GLU 78 N -2.64 0.00 0.16 -2.82 2.13 -1.25 -4.50 120.64 111.73 2noc n GLU 78 Ca -0.01 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.70 2noc n GLU 78 Cb 0.57 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.23 2noc n GLU 78 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 2noc h ASN 79 N 0.00 -0.81 -4.53 4.31 -1.24 -1.94 -3.29 115.58 108.07 2noc h ASN 79 Ca 0.00 0.07 -0.22 0.00 0.71 0.00 0.00 56.30 56.86 2noc h ASN 79 Cb 0.00 0.27 -0.23 0.00 0.73 0.00 0.00 38.32 39.08 2noc h ASN 79 CO 0.00 -0.38 -0.72 -1.59 -1.29 0.00 0.00 177.43 173.45 2noc s LYS 80 N -4.63 0.29 -0.07 6.67 -2.85 -1.26 -4.75 119.74 113.13 2noc s LYS 80 Ca -0.10 -0.45 -0.03 0.00 -1.00 0.00 0.00 55.97 54.39 2noc s LYS 80 Cb 0.02 -0.04 0.04 0.00 -2.06 0.00 0.00 37.83 35.79 2noc s LYS 80 CO 0.34 -0.00 0.15 0.96 0.10 0.00 0.00 175.35 176.90 2noc s ILE 81 N -0.96 -0.16 -1.33 3.79 -4.36 -1.23 -4.73 121.20 112.22 2noc s ILE 81 Ca -0.09 0.28 -0.12 0.00 -0.26 0.00 0.00 60.65 60.46 2noc s ILE 81 Cb -0.07 -0.26 0.12 0.00 1.25 0.00 0.00 42.46 43.50 2noc s ILE 81 CO -0.00 0.12 1.92 1.57 0.24 0.00 0.00 174.94 178.78 2noc n HIS 82 N 4.82 3.54 -1.69 1.37 -0.00 -1.26 -3.34 115.22 118.65 2noc n HIS 82 Ca -0.14 -2.92 -0.44 0.00 -0.00 0.00 0.00 57.72 54.21 2noc n HIS 82 Cb 0.51 -2.23 -0.02 0.00 -0.00 0.00 0.00 29.99 28.24 2noc n HIS 82 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2noc n GLY 83 N 3.59 0.98 2.92 1.57 0.00 -1.26 -4.65 105.19 108.35 2noc n GLY 83 Ca 0.44 0.50 -0.12 0.00 0.00 0.00 0.00 46.02 46.84 2noc n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2noc s THR 84 N 0.05 -0.00 -0.13 2.61 2.01 -1.26 -0.95 115.64 117.97 2noc s THR 84 Ca 0.68 0.02 -0.09 0.00 0.31 0.00 0.00 61.69 62.60 2noc s THR 84 Cb -0.60 -0.09 0.04 0.00 0.01 0.00 0.00 72.50 71.86 2noc s THR 84 CO 0.48 0.01 0.33 0.00 -0.69 0.00 0.00 174.62 174.74 2noc s ALA 85 N 0.11 -0.80 -0.30 7.40 0.00 -0.23 -1.50 121.76 126.44 2noc s ALA 85 Ca -0.01 1.10 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 2noc s ALA 85 Cb -0.01 -0.66 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 2noc s ALA 85 CO -0.00 -0.19 0.19 0.16 0.00 0.00 0.00 175.76 175.91 2noc s ASP 86 N 0.78 5.88 0.13 0.00 -4.77 -0.22 -0.22 116.67 118.25 2noc s ASP 86 Ca -0.05 -0.22 0.04 0.00 -3.30 0.00 0.00 52.55 49.03 2noc s ASP 86 Cb -0.06 -2.09 -0.04 0.00 -1.09 0.00 0.00 42.92 39.64 2noc s ASP 86 CO -0.05 -0.12 0.11 0.27 0.70 0.00 0.00 175.17 176.07 2noc s ILE 87 N 1.72 4.48 0.06 2.11 -4.36 -1.13 -1.21 121.20 122.86 2noc s ILE 87 Ca 0.06 -0.96 0.05 0.00 -0.26 0.00 0.00 60.65 59.54 2noc s ILE 87 Cb -0.16 -3.23 -0.03 0.00 1.25 0.00 0.00 42.46 40.29 2noc s ILE 87 CO 0.10 -0.01 -0.14 -0.31 0.24 0.00 0.00 174.94 174.82 2noc s TYR 88 N -1.59 1.18 0.01 1.37 1.51 0.91 -3.57 117.35 117.16 2noc s TYR 88 Ca 0.30 -0.43 0.08 0.00 -1.01 0.00 0.00 57.07 56.02 2noc s TYR 88 Cb -0.11 -0.68 -0.02 0.00 -0.11 0.00 0.00 41.96 41.04 2noc s TYR 88 CO 0.23 0.04 -0.26 0.21 -1.11 0.00 0.00 175.55 174.66 2noc s LYS 89 N -1.55 1.99 0.26 -0.62 2.47 0.20 -0.10 119.74 122.38 2noc s LYS 89 Ca -0.01 -1.00 -0.29 0.00 -1.56 0.00 0.00 55.97 53.10 2noc s LYS 89 Cb -0.09 -2.01 -0.09 0.00 -1.46 0.00 0.00 37.83 34.17 2noc s LYS 89 CO 0.02 0.54 1.28 0.21 0.16 0.00 0.00 175.35 177.56 2noc s LYS 90 N -0.85 4.41 0.52 4.03 2.20 -1.26 0.38 119.74 129.17 2noc s LYS 90 Ca 0.11 2.08 -0.09 0.00 -0.36 0.00 0.00 55.97 57.71 2noc s LYS 90 Cb -0.10 -3.15 0.12 0.00 -1.51 0.00 0.00 37.83 33.20 2noc s LYS 90 CO 0.00 -0.16 0.70 1.63 -0.36 0.00 0.00 175.35 177.16 2noc n LYS 91 N 1.72 -0.76 0.02 4.03 5.02 -0.32 -4.80 118.16 123.07 2noc n LYS 91 Ca 0.03 -1.07 0.14 0.00 -2.02 0.00 0.00 58.31 55.38 2noc n LYS 91 Cb 0.43 -0.73 0.54 0.00 -0.02 0.00 0.00 35.03 35.25 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 0.22 -4.06 -0.35 -0.00 -1.26 -4.40 117.00 107.14 2noc n LEU 92 Ca 0.09 0.48 -0.35 0.00 -0.00 0.00 0.00 56.01 56.23 2noc n LEU 92 Cb 0.30 -0.44 -0.10 0.00 -0.00 0.00 0.00 43.42 43.19 2noc n LEU 92 CO 0.22 -0.03 0.07 -1.61 -0.00 0.00 0.00 177.39 176.04 2noc s GLU 93 N -3.02 2.64 -0.31 1.47 0.41 -1.26 -4.94 118.70 113.68 2noc s GLU 93 Ca 0.13 -2.80 0.01 0.00 -0.41 0.00 0.00 54.97 51.90 2noc s GLU 93 Cb 0.17 -3.70 0.15 0.00 -1.78 0.00 0.00 34.13 28.97 2noc s GLU 93 CO 0.56 -1.20 0.34 -1.58 -0.49 0.00 0.00 175.26 172.89 2noc s HIS 94 N -0.53 -0.54 0.42 1.61 2.46 -1.26 -4.51 115.29 112.94 2noc s HIS 94 Ca 0.20 -0.23 0.19 0.00 0.47 0.00 0.00 55.06 55.69 2noc s HIS 94 Cb -0.17 -0.39 1.10 0.00 -0.13 0.00 0.00 32.58 33.00 2noc s HIS 94 CO -0.06 -0.95 1.99 0.45 -2.47 0.00 0.00 174.74 173.70 2noc h HIS 95 N 7.95 0.00 -5.04 3.88 3.86 -1.97 -3.47 115.15 120.36 2noc h HIS 95 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 2noc h HIS 95 Cb 1.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.55 2noc h HIS 95 CO 0.29 0.20 -0.62 1.58 0.86 0.00 0.00 177.93 180.24 2noc n HIS 96 N -4.03 -3.37 0.01 2.45 -0.00 -1.26 -4.94 115.22 104.08 2noc n HIS 96 Ca -0.02 1.41 -0.08 0.00 -0.00 0.00 0.00 57.72 59.03 2noc n HIS 96 Cb 0.27 -3.86 -0.13 0.00 -0.00 0.00 0.00 29.99 26.28 2noc n HIS 96 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2noc h HIS 97 N 2.17 0.00 -3.30 1.57 2.76 -2.07 -3.43 115.15 112.86 2noc h HIS 97 Ca 0.00 0.00 -0.67 0.00 -2.20 0.00 0.00 60.37 57.50 2noc h HIS 97 Cb 0.59 0.00 -0.31 0.00 1.55 0.00 0.00 27.41 29.24 2noc h HIS 97 CO 0.06 0.99 -0.83 -1.58 -1.30 0.00 0.00 177.93 175.27 2noc s HIS 98 N -2.65 2.69 -2.00 5.26 5.65 -1.26 -5.35 115.29 117.63 2noc s HIS 98 Ca -0.02 -0.99 0.01 0.00 0.25 0.00 0.00 55.06 54.31 2noc s HIS 98 Cb 0.09 -1.80 0.06 0.00 -1.18 0.00 0.00 32.58 29.74 2noc s HIS 98 CO 0.82 -0.41 0.55 -2.39 -0.65 0.00 0.00 174.74 172.66