#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 2.12 -0.34 0.03 3.01 -1.26 -5.03 119.74 118.28 2noc s LYS 2 Ca 0.00 -1.48 0.05 0.00 -1.01 0.00 0.00 55.97 53.53 2noc s LYS 2 Cb 0.00 -3.12 0.18 0.00 -1.01 0.00 0.00 37.83 33.87 2noc s LYS 2 CO 0.00 -0.72 0.53 -0.08 0.51 0.00 0.00 175.35 175.60 2noc s THR 3 N 1.11 -0.83 0.00 2.17 -1.32 -1.26 -5.12 115.64 110.40 2noc s THR 3 Ca -0.02 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 2noc s THR 3 Cb -0.20 -0.65 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 2noc s THR 3 CO -0.04 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.83 2noc n GLY 4 N 4.95 0.67 3.13 6.08 0.00 -1.26 -5.18 105.19 113.58 2noc n GLY 4 Ca 0.07 0.61 -0.12 0.00 0.00 0.00 0.00 46.02 46.57 2noc n GLY 4 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2noc s TYR 5 N 0.00 -0.10 -0.30 1.61 1.13 -1.26 -5.14 117.35 113.28 2noc s TYR 5 Ca 0.00 0.21 -0.11 0.00 -1.41 0.00 0.00 57.07 55.76 2noc s TYR 5 Cb 0.00 0.03 0.18 0.00 -1.10 0.00 0.00 41.96 41.06 2noc s TYR 5 CO 0.00 -0.24 0.93 -1.59 -2.51 0.00 0.00 175.55 172.14 2noc s LYS 6 N -0.80 0.30 -0.06 -3.49 -2.85 -1.26 -5.15 119.74 106.43 2noc s LYS 6 Ca -0.09 0.57 -0.00 0.00 -1.00 0.00 0.00 55.97 55.44 2noc s LYS 6 Cb -0.05 0.32 0.03 0.00 -2.06 0.00 0.00 37.83 36.07 2noc s LYS 6 CO 0.02 -0.28 -0.01 0.14 0.10 0.00 0.00 175.35 175.31 2noc s VAL 7 N 2.84 0.40 -0.11 1.79 -7.23 -1.26 -5.13 120.40 111.70 2noc s VAL 7 Ca 0.04 0.05 -0.01 0.00 -1.81 0.00 0.00 61.98 60.25 2noc s VAL 7 Cb -0.11 -0.51 0.03 0.00 0.56 0.00 0.00 36.38 36.35 2noc s VAL 7 CO -0.14 0.24 -0.07 -0.04 -0.31 0.00 0.00 175.10 174.77 2noc s MET 8 N 1.54 1.43 -0.12 4.82 -1.94 -1.26 -5.10 119.30 118.67 2noc s MET 8 Ca -0.02 -0.22 -0.02 0.00 -1.71 0.00 0.00 55.69 53.72 2noc s MET 8 Cb -0.13 -1.53 0.04 0.00 2.01 0.00 0.00 34.83 35.22 2noc s MET 8 CO -0.03 -0.27 0.03 -1.17 -0.01 0.00 0.00 175.02 173.57 2noc s LEU 9 N 1.74 0.67 -0.30 -0.03 2.96 -1.26 -5.10 118.68 117.36 2noc s LEU 9 Ca 0.05 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 2noc s LEU 9 Cb -0.13 -0.42 0.20 0.00 0.50 0.00 0.00 46.19 46.35 2noc s LEU 9 CO -0.08 -0.26 0.66 -0.83 -1.32 0.00 0.00 176.35 174.52 2noc s GLY 10 N 1.99 -1.22 -0.14 7.98 0.00 -1.26 -5.14 107.32 109.53 2noc s GLY 10 Ca 0.03 1.17 -0.09 0.00 0.00 0.00 0.00 44.72 45.83 2noc s GLY 10 CO -0.06 3.75 0.35 0.00 0.00 0.00 0.00 173.10 177.13 2noc s ALA 11 N 2.80 -0.86 -0.09 3.20 0.00 -1.26 -5.15 121.76 120.40 2noc s ALA 11 Ca 0.13 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.31 2noc s ALA 11 Cb -0.08 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.32 2noc s ALA 11 CO -0.25 -0.21 -0.10 -0.48 0.00 0.00 0.00 175.76 174.72 2noc s LEU 12 N 0.97 1.40 -0.29 0.00 2.34 -1.26 -5.07 118.68 116.77 2noc s LEU 12 Ca -0.06 -0.30 -0.01 0.00 0.06 0.00 0.00 54.13 53.81 2noc s LEU 12 Cb -0.07 -0.84 0.19 0.00 -0.56 0.00 0.00 46.19 44.91 2noc s LEU 12 CO -0.07 -0.05 0.79 0.00 -1.06 0.00 0.00 176.35 175.95 2noc s ALA 13 N 1.24 -3.11 -0.15 1.48 0.00 -1.26 -5.15 121.76 114.81 2noc s ALA 13 Ca -0.04 1.18 -0.05 0.00 0.00 0.00 0.00 51.96 53.06 2noc s ALA 13 Cb -0.14 -2.67 0.07 0.00 0.00 0.00 0.00 23.12 20.38 2noc s ALA 13 CO -0.03 -1.95 0.27 0.12 0.00 0.00 0.00 175.76 174.16 2noc s PHE 14 N 2.86 -0.43 -0.11 0.00 5.36 -1.26 -5.13 117.98 119.28 2noc s PHE 14 Ca 0.18 0.86 -0.01 0.00 -0.96 0.00 0.00 56.93 57.00 2noc s PHE 14 Cb -0.06 -0.08 0.03 0.00 -0.34 0.00 0.00 43.02 42.57 2noc s PHE 14 CO -0.24 -0.41 -0.06 0.14 -1.46 0.00 0.00 175.22 173.18 2noc s VAL 15 N 2.42 0.90 -0.36 3.12 -7.23 -1.26 -5.09 120.40 112.91 2noc s VAL 15 Ca 0.03 -0.21 0.01 0.00 -1.81 0.00 0.00 61.98 59.99 2noc s VAL 15 Cb -0.13 -0.95 0.11 0.00 0.56 0.00 0.00 36.38 35.98 2noc s VAL 15 CO -0.09 0.35 0.14 0.68 -0.31 0.00 0.00 175.10 175.87 2noc s VAL 16 N 1.75 1.15 -0.31 1.32 -7.23 -1.26 -5.04 120.40 110.78 2noc s VAL 16 Ca 0.05 -1.86 0.02 0.00 -1.81 0.00 0.00 61.98 58.37 2noc s VAL 16 Cb -0.12 -1.85 0.16 0.00 0.56 0.00 0.00 36.38 35.12 2noc s VAL 16 CO -0.08 -0.75 0.39 -0.89 -0.31 0.00 0.00 175.10 173.46 2noc s THR 17 N 1.13 -0.55 -0.16 5.32 2.01 -1.26 -5.13 115.64 117.00 2noc s THR 17 Ca 0.13 -0.44 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 2noc s THR 17 Cb -0.20 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 2noc s THR 17 CO -0.15 -0.36 -0.02 0.54 -0.69 0.00 0.00 174.62 173.94 2noc s ASN 18 N 2.29 4.94 -0.29 3.53 4.22 -1.26 -5.08 114.94 123.30 2noc s ASN 18 Ca 0.11 -0.09 -0.19 0.00 -2.14 0.00 0.00 52.86 50.55 2noc s ASN 18 Cb -0.13 -1.81 0.13 0.00 1.28 0.00 0.00 41.25 40.72 2noc s ASN 18 CO -0.26 0.17 0.96 0.54 -2.04 0.00 0.00 177.10 176.47 2noc s VAL 19 N 0.37 0.00 -0.32 3.54 0.11 -1.26 -5.14 120.40 117.71 2noc s VAL 19 Ca -0.03 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.95 2noc s VAL 19 Cb -0.14 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.73 2noc s VAL 19 CO 0.02 0.00 0.11 -0.31 -3.33 0.00 0.00 175.10 171.59 2noc s TYR 20 N 1.05 3.19 -0.41 1.54 2.02 -1.26 -4.97 117.35 118.51 2noc s TYR 20 Ca -0.06 -1.06 0.05 0.00 -0.37 0.00 0.00 57.07 55.63 2noc s TYR 20 Cb -0.04 -2.29 0.51 0.00 -0.40 0.00 0.00 41.96 39.73 2noc s TYR 20 CO -0.13 -0.62 1.61 0.00 -1.57 0.00 0.00 175.55 174.84 2noc n ALA 21 N 4.88 5.16 -1.42 3.71 0.00 -1.26 -5.01 120.51 126.57 2noc n ALA 21 Ca -0.14 -3.34 -0.52 0.00 0.00 0.00 0.00 53.44 49.44 2noc n ALA 21 Cb 0.47 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.99 0.97 -2.47 0.00 0.00 -1.13 -4.62 120.51 112.27 2noc n ALA 22 Ca 0.47 -0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.78 2noc n ALA 22 Cb 1.02 -2.48 -0.08 0.00 0.00 0.00 0.00 19.45 17.90 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 6.20 1.15 -0.05 0.00 2.12 -0.70 -4.91 118.70 122.51 2noc s GLU 23 Ca 1.11 -1.38 -0.21 0.00 0.36 0.00 0.00 54.97 54.85 2noc s GLU 23 Cb -0.94 0.32 -0.05 0.00 0.26 0.00 0.00 34.13 33.72 2noc s GLU 23 CO 0.51 -0.39 0.61 0.42 -0.54 0.00 0.00 175.26 175.87 2noc s ILE 24 N -4.05 5.01 0.14 -3.70 -1.09 -1.26 -1.09 121.20 115.16 2noc s ILE 24 Ca 0.26 1.26 0.04 0.00 -2.23 0.00 0.00 60.65 59.98 2noc s ILE 24 Cb 0.05 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.94 2noc s ILE 24 CO 0.05 0.34 0.12 -0.04 -1.23 0.00 0.00 174.94 174.18 2noc s MET 25 N 0.32 2.90 0.72 2.79 -1.94 -1.26 -4.99 119.30 117.85 2noc s MET 25 Ca 0.32 -0.81 -0.11 0.00 -1.71 0.00 0.00 55.69 53.38 2noc s MET 25 Cb -0.17 -2.68 0.03 0.00 2.01 0.00 0.00 34.83 34.02 2noc s MET 25 CO 0.16 0.51 1.07 0.15 -0.01 0.00 0.00 175.02 176.91 2noc s LYS 26 N -2.89 2.65 0.13 2.03 1.02 -1.26 -4.73 119.74 116.69 2noc s LYS 26 Ca 0.30 1.06 -0.27 0.00 0.02 0.00 0.00 55.97 57.09 2noc s LYS 26 Cb -0.11 -1.95 -0.05 0.00 -0.52 0.00 0.00 37.83 35.21 2noc s LYS 26 CO 0.23 -1.33 1.62 -0.22 -0.92 0.00 0.00 175.35 174.73 2noc h LYS 27 N -0.84 -0.42 -0.05 1.68 3.64 -1.99 0.92 116.57 119.50 2noc h LYS 27 Ca -0.44 0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 58.77 2noc h LYS 27 Cb 1.22 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2noc h LYS 27 CO 0.54 -0.28 -0.82 0.00 -2.27 0.00 0.00 179.45 176.62 2noc h THR 28 N -0.44 1.38 -0.47 1.00 1.03 -2.00 -2.57 112.91 110.84 2noc h THR 28 Ca 0.07 -2.25 -0.11 0.00 -0.01 0.00 0.00 66.41 64.11 2noc h THR 28 Cb 0.54 2.23 -0.02 0.00 -1.07 0.00 0.00 68.15 69.83 2noc h THR 28 CO -0.28 0.68 -0.15 -0.78 -0.01 0.00 0.00 175.52 174.98 2noc h ASP 29 N 0.28 0.91 -0.33 0.00 3.58 -1.87 -2.17 116.42 116.83 2noc h ASP 29 Ca -0.05 -0.31 0.02 0.00 0.42 0.00 0.00 57.03 57.11 2noc h ASP 29 Cb 1.43 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 42.20 2noc h ASP 29 CO 0.14 1.06 0.16 0.15 -2.88 0.00 0.00 179.24 177.87 2noc h PHE 30 N 0.80 0.30 -0.22 0.28 3.57 0.96 0.34 116.94 122.97 2noc h PHE 30 Ca 0.12 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2noc h PHE 30 Cb 0.69 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2noc h PHE 30 CO 0.04 0.16 0.01 0.22 -2.23 0.00 0.00 178.31 176.52 2noc h ASP 31 N 0.34 0.29 -0.04 0.41 1.82 -1.21 0.30 116.42 118.33 2noc h ASP 31 Ca 0.14 -0.04 -0.13 0.00 -0.39 0.00 0.00 57.03 56.61 2noc h ASP 31 Cb 0.05 -0.07 0.01 0.00 0.68 0.00 0.00 39.33 40.00 2noc h ASP 31 CO -0.10 0.34 -0.49 0.11 -1.61 0.00 0.00 179.24 177.49 2noc h LYS 32 N 0.32 0.41 0.00 0.28 6.56 -0.72 -3.26 116.57 120.16 2noc h LYS 32 Ca 0.08 -0.38 0.00 0.00 -1.06 0.00 0.00 60.65 59.29 2noc h LYS 32 Cb 0.19 0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 2noc h LYS 32 CO 0.00 1.03 0.00 -0.39 -2.06 0.00 0.00 179.45 178.04 2noc h VAL 33 N -0.08 0.00 0.00 0.50 -1.51 0.03 -2.95 116.25 112.25 2noc h VAL 33 Ca -0.05 -0.78 0.00 0.00 -1.23 0.00 0.00 66.70 64.64 2noc h VAL 33 Cb 1.17 1.77 0.00 0.00 -2.13 0.00 0.00 31.29 32.10 2noc h VAL 33 CO 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.44 2noc h ALA 34 N 2.07 1.00 0.00 5.19 0.00 -0.46 0.11 119.26 127.17 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 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2noc h ALA 34 CO 0.00 0.00 -0.31 1.03 0.00 0.00 0.00 179.25 179.97 2noc h SER 35 N 0.00 0.00 -0.23 0.00 0.87 -1.66 -3.26 113.55 109.27 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 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2noc h SER 35 CO 0.00 0.03 0.00 -0.62 -0.53 0.00 0.00 176.83 175.71 2noc n GLU 36 N -2.52 2.89 -4.57 2.24 1.02 0.28 -5.03 120.64 114.95 2noc n GLU 36 Ca 0.04 -1.86 -0.27 0.00 -0.02 0.00 0.00 57.16 55.05 2noc n GLU 36 Cb 0.48 -1.18 -0.08 0.00 -0.02 0.00 0.00 31.44 30.64 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 -1.00 1.80 0.00 -0.32 1.51 -0.69 -2.90 117.35 115.76 2noc s TYR 37 Ca 0.15 -1.22 0.01 0.00 -1.01 0.00 0.00 57.07 55.00 2noc s TYR 37 Cb 0.08 -1.25 -0.01 0.00 -0.11 0.00 0.00 41.96 40.67 2noc s TYR 37 CO 0.10 -0.19 -0.04 0.99 -1.11 0.00 0.00 175.55 175.30 2noc s THR 38 N -3.13 0.30 -0.20 -0.71 2.01 0.91 -4.89 115.64 109.93 2noc s THR 38 Ca 0.20 -0.28 -0.24 0.00 0.31 0.00 0.00 61.69 61.67 2noc s THR 38 Cb 0.02 -0.28 -0.01 0.00 0.01 0.00 0.00 72.50 72.24 2noc s THR 38 CO 0.12 0.01 0.79 -0.75 -0.69 0.00 0.00 174.62 174.10 2noc s LYS 39 N -0.30 4.24 0.00 4.92 2.20 -1.26 0.06 119.74 129.60 2noc s LYS 39 Ca -0.01 0.91 0.13 0.00 -0.36 0.00 0.00 55.97 56.65 2noc s LYS 39 Cb -0.03 -3.60 0.18 0.00 -1.51 0.00 0.00 37.83 32.87 2noc s LYS 39 CO -0.00 -0.37 1.03 0.44 -0.36 0.00 0.00 175.35 176.08 2noc n ILE 40 N 4.90 0.27 0.00 5.43 -5.35 -1.17 -4.96 119.36 118.48 2noc n ILE 40 Ca 0.04 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 2noc n ILE 40 Cb 0.49 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.45 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 0.74 2.69 3.80 3.28 0.00 -1.26 -5.04 105.19 109.40 2noc n GLY 41 Ca 0.09 -2.05 -0.26 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.99 4.48 0.32 2.61 2.01 -1.26 -2.75 115.64 119.07 2noc s THR 42 Ca 0.00 -1.09 0.10 0.00 0.31 0.00 0.00 61.69 61.01 2noc s THR 42 Cb 0.00 -3.29 -0.06 0.00 0.01 0.00 0.00 72.50 69.16 2noc s THR 42 CO 0.00 -0.11 -0.11 0.27 -0.69 0.00 0.00 174.62 173.98 2noc s ILE 43 N -1.76 2.40 0.17 1.82 -4.36 0.11 -4.98 121.20 114.60 2noc s ILE 43 Ca 0.31 -2.23 -0.10 0.00 -0.26 0.00 0.00 60.65 58.37 2noc s ILE 43 Cb -0.10 -2.56 -0.00 0.00 1.25 0.00 0.00 42.46 41.04 2noc s ILE 43 CO 0.23 -0.27 0.31 -0.55 0.24 0.00 0.00 174.94 174.91 2noc s SER 44 N -3.59 0.01 -0.12 4.36 0.15 -1.26 -0.51 113.70 112.73 2noc s SER 44 Ca 0.32 -0.84 -0.04 0.00 0.70 0.00 0.00 55.95 56.09 2noc s SER 44 Cb -0.00 0.45 0.06 0.00 -1.71 0.00 0.00 66.02 64.82 2noc s SER 44 CO 0.16 -0.92 0.24 0.42 1.20 0.00 0.00 173.24 174.35 2noc s THR 45 N -3.96 -0.34 -0.25 6.45 -4.23 0.39 -4.98 115.64 108.71 2noc s THR 45 Ca 0.17 0.28 -0.08 0.00 -1.18 0.00 0.00 61.69 60.88 2noc s THR 45 Cb 0.03 -0.40 0.11 0.00 1.34 0.00 0.00 72.50 73.58 2noc s THR 45 CO 0.00 0.12 0.54 -0.89 -0.54 0.00 0.00 174.62 173.85 2noc s THR 46 N 2.27 -0.83 0.00 3.99 2.01 -1.26 -1.84 115.64 119.98 2noc s THR 46 Ca 0.00 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.08 2noc s THR 46 Cb -0.12 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.55 2noc s THR 46 CO -0.08 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.49 2noc n GLY 47 N 5.42 -0.46 3.05 4.40 0.00 -1.22 -5.05 105.19 111.33 2noc n GLY 47 Ca -0.10 0.49 -0.05 0.00 0.00 0.00 0.00 46.02 46.36 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 0.75 0.07 1.61 -1.05 -1.25 -4.69 118.70 114.15 2noc s GLU 48 Ca 0.00 -0.45 0.01 0.00 -0.15 0.00 0.00 54.97 54.37 2noc s GLU 48 Cb 0.00 -0.19 -0.00 0.00 -0.44 0.00 0.00 34.13 33.50 2noc s GLU 48 CO 0.00 -1.19 0.08 -1.33 0.95 0.00 0.00 175.26 173.77 2noc n MET 49 N 4.38 0.12 -3.35 -4.83 2.81 -1.26 -5.11 117.12 109.87 2noc n MET 49 Ca 0.11 -0.68 -0.36 0.00 -1.81 0.00 0.00 57.70 54.96 2noc n MET 49 Cb 0.53 0.60 -0.06 0.00 -0.71 0.00 0.00 33.22 33.57 2noc n MET 49 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2noc s SER 50 N -1.49 6.85 0.28 7.83 0.01 -1.26 -4.68 113.70 121.23 2noc s SER 50 Ca 0.08 1.09 0.01 0.00 1.31 0.00 0.00 55.95 58.45 2noc s SER 50 Cb 0.00 -2.29 0.59 0.00 0.21 0.00 0.00 66.02 64.53 2noc s SER 50 CO 0.05 0.12 1.79 1.55 0.41 0.00 0.00 173.24 177.17 2noc h PRO 51 N 3.67 0.75 -0.24 12.44 0.13 -1.93 -0.93 132.00 145.90 2noc h PRO 51 Ca -0.49 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 64.48 2noc h PRO 51 Cb 1.20 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 2noc h PRO 51 CO 0.65 0.50 -0.34 -0.07 -0.23 0.00 0.00 178.00 178.51 2noc h LEU 52 N 0.77 0.52 -0.36 1.56 4.07 -1.97 -1.42 115.31 118.49 2noc h LEU 52 Ca 0.50 -0.21 -0.02 0.00 0.08 0.00 0.00 57.88 58.24 2noc h LEU 52 Cb 0.67 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 2noc h LEU 52 CO -0.34 0.83 0.16 0.44 -1.08 0.00 0.00 178.44 178.45 2noc h ASP 53 N 0.43 0.47 -0.49 -0.43 3.32 -1.59 0.27 116.42 118.40 2noc h ASP 53 Ca 0.05 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2noc h ASP 53 Cb 0.80 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 2noc h ASP 53 CO 0.06 0.48 0.32 0.00 -1.72 0.00 0.00 179.24 178.38 2noc h ALA 54 N 1.01 0.62 -0.09 3.45 0.00 -1.25 -0.33 119.26 122.67 2noc h ALA 54 Ca 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2noc h ALA 54 Cb 0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2noc h ALA 54 CO -0.01 0.07 0.04 0.00 0.00 0.00 0.00 179.25 179.35 2noc h ARG 55 N 0.66 0.13 -0.88 0.00 3.08 -0.90 -0.17 114.38 116.31 2noc h ARG 55 Ca 0.18 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.29 2noc h ARG 55 Cb -0.07 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 29.89 2noc h ARG 55 CO -0.04 0.23 0.53 0.93 -1.07 0.00 0.00 179.97 180.56 2noc h GLU 56 N 0.01 0.90 -0.28 0.04 4.39 -0.27 0.29 114.58 119.66 2noc h GLU 56 Ca 0.03 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 2noc h GLU 56 Cb 0.14 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2noc h GLU 56 CO -0.00 0.59 -0.42 0.22 -1.16 0.00 0.00 179.01 178.24 2noc h ASP 57 N 0.92 0.73 -0.07 1.42 3.58 -0.69 0.10 116.42 122.41 2noc h ASP 57 Ca 0.41 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 2noc h ASP 57 Cb 0.29 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 2noc h ASP 57 CO -0.22 1.05 -0.01 -0.07 -2.88 0.00 0.00 179.24 177.11 2noc h LEU 58 N 0.55 0.13 -0.61 2.28 3.38 -0.30 -1.31 115.31 119.43 2noc h LEU 58 Ca 0.04 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 2noc h LEU 58 Cb 0.96 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 2noc h LEU 58 CO 0.09 0.45 0.20 0.40 0.09 0.00 0.00 178.44 179.67 2noc h ILE 59 N -0.20 1.24 -0.38 1.22 2.04 -0.33 -0.08 117.51 121.02 2noc h ILE 59 Ca 0.02 -0.81 -0.15 0.00 1.00 0.00 0.00 64.86 64.91 2noc h ILE 59 Cb 0.39 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2noc h ILE 59 CO 0.01 0.31 -0.37 0.07 0.00 0.00 0.00 178.15 178.17 2noc h LYS 60 N 0.86 0.90 -0.31 2.37 2.10 -0.82 -2.34 116.57 119.35 2noc h LYS 60 Ca 0.20 -0.46 -0.18 0.00 -2.00 0.00 0.00 60.65 58.21 2noc h LYS 60 Cb 0.27 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.61 2noc h LYS 60 CO -0.01 1.11 -0.50 -0.22 -2.00 0.00 0.00 179.45 177.83 2noc h LYS 61 N 0.74 0.87 -0.68 0.07 3.64 -0.99 0.49 116.57 120.72 2noc h LYS 61 Ca 0.06 -0.52 0.04 0.00 -1.27 0.00 0.00 60.65 58.96 2noc h LYS 61 Cb 0.95 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.78 2noc h LYS 61 CO 0.09 1.16 0.41 0.00 -2.27 0.00 0.00 179.45 178.84 2noc h ALA 62 N 0.74 0.89 -0.13 5.00 0.00 -1.03 0.41 119.26 125.14 2noc h ALA 62 Ca 0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2noc h ALA 62 Cb 1.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2noc h ALA 62 CO 0.11 0.15 -0.45 0.22 0.00 0.00 0.00 179.25 179.29 2noc h ASP 63 N 0.79 0.33 -0.21 0.00 3.58 -0.94 0.11 116.42 120.08 2noc h ASP 63 Ca 0.28 -0.15 -0.15 0.00 0.42 0.00 0.00 57.03 57.43 2noc h ASP 63 Cb 0.06 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 2noc h ASP 63 CO -0.12 0.74 -0.39 -0.33 -2.88 0.00 0.00 179.24 176.25 2noc h GLU 64 N 0.25 0.75 -0.12 0.28 5.08 0.44 -2.83 114.58 118.43 2noc h GLU 64 Ca 0.02 -0.39 -0.10 0.00 -1.00 0.00 0.00 59.36 57.89 2noc h GLU 64 Cb 0.90 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2noc h GLU 64 CO 0.07 1.01 -0.38 -0.22 -1.00 0.00 0.00 179.01 178.50 2noc h LYS 65 N 0.62 0.25 0.00 2.33 3.64 0.10 -3.47 116.57 120.04 2noc h LYS 65 Ca 0.05 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2noc h LYS 65 Cb 0.94 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2noc h LYS 65 CO 0.09 0.60 0.00 0.41 -2.27 0.00 0.00 179.45 178.28 2noc n GLY 66 N -0.25 1.28 3.67 5.01 0.00 -0.01 -5.08 105.19 109.80 2noc n GLY 66 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2noc n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2noc n ALA 67 N -0.26 0.16 -0.03 4.61 0.00 0.16 -4.77 120.51 120.37 2noc n ALA 67 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 53.44 53.21 2noc n ALA 67 Cb 0.00 -2.22 -0.08 0.00 0.00 0.00 0.00 19.45 17.15 2noc n ALA 67 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2noc n ASP 68 N -2.46 2.69 -4.16 0.00 8.00 0.14 -2.83 116.55 117.93 2noc n ASP 68 Ca 0.14 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.38 2noc n ASP 68 Cb 0.50 0.93 -0.16 0.00 -0.02 0.00 0.00 41.12 42.37 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 -2.36 1.44 0.01 2.53 1.01 0.15 -1.73 120.40 121.46 2noc s VAL 69 Ca -0.04 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.25 2noc s VAL 69 Cb 0.04 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 2noc s VAL 69 CO 0.39 0.41 -0.21 0.68 0.00 0.00 0.00 175.10 176.37 2noc s VAL 70 N -0.26 1.69 -0.28 2.92 -7.23 -0.25 -0.17 120.40 116.82 2noc s VAL 70 Ca 0.03 -1.04 -0.00 0.00 -1.81 0.00 0.00 61.98 59.16 2noc s VAL 70 Cb -0.09 -1.43 0.08 0.00 0.56 0.00 0.00 36.38 35.51 2noc s VAL 70 CO 0.00 0.36 0.04 -0.69 -0.31 0.00 0.00 175.10 174.50 2noc s VAL 71 N -0.63 1.17 -1.07 1.32 1.01 0.02 -4.12 120.40 118.10 2noc s VAL 71 Ca 0.08 -1.34 -0.22 0.00 0.00 0.00 0.00 61.98 60.50 2noc s VAL 71 Cb -0.08 -1.73 0.06 0.00 0.00 0.00 0.00 36.38 34.62 2noc s VAL 71 CO 0.00 -0.45 1.49 -0.76 0.00 0.00 0.00 175.10 175.39 2noc s LEU 72 N 1.51 3.64 0.10 3.92 1.43 -1.26 -0.47 118.68 127.54 2noc s LEU 72 Ca 0.04 -1.68 -0.11 0.00 -1.03 0.00 0.00 54.13 51.35 2noc s LEU 72 Cb -0.18 -2.56 -0.17 0.00 0.03 0.00 0.00 46.19 43.31 2noc s LEU 72 CO -0.15 -1.42 1.26 0.71 0.23 0.00 0.00 176.35 176.97 2noc h THR 73 N 6.51 1.30 -2.19 5.49 1.35 -1.78 -3.49 112.91 120.10 2noc h THR 73 Ca 0.25 -2.19 0.08 0.00 -0.55 0.00 0.00 66.41 63.99 2noc h THR 73 Cb 0.98 2.26 -0.02 0.00 -1.73 0.00 0.00 68.15 69.64 2noc h THR 73 CO 1.42 0.68 -0.11 -1.20 -0.25 0.00 0.00 175.52 176.06 2noc n SER 74 N -3.86 -6.35 0.00 5.36 7.64 0.16 -4.85 113.62 111.73 2noc n SER 74 Ca -0.09 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2noc n SER 74 Cb 0.83 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2noc n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2noc n GLY 75 N -0.90 5.44 2.41 0.23 0.00 -1.22 -4.10 105.19 107.05 2noc n GLY 75 Ca 0.00 -1.26 -0.20 0.00 0.00 0.00 0.00 46.02 44.56 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 0.00 2.94 -3.26 1.61 6.02 -1.26 -4.95 117.38 118.48 2noc n GLN 76 Ca 0.00 -4.10 -0.04 0.00 -0.01 0.00 0.00 57.00 52.84 2noc n GLN 76 Cb 0.00 -2.03 -0.04 0.00 1.02 0.00 0.00 30.24 29.19 2noc n GLN 76 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2noc s THR 77 N -4.69 -0.76 -0.17 5.09 2.01 -1.26 -4.97 115.64 110.89 2noc s THR 77 Ca 0.43 -0.16 0.21 0.00 0.31 0.00 0.00 61.69 62.48 2noc s THR 77 Cb 0.40 -0.97 -0.10 0.00 0.01 0.00 0.00 72.50 71.84 2noc s THR 77 CO -0.07 -0.16 0.85 -0.62 -0.69 0.00 0.00 174.62 173.93 2noc n GLU 78 N 5.38 0.62 0.15 4.92 1.02 -1.26 -2.72 120.64 128.75 2noc n GLU 78 Ca 0.01 0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 2noc n GLU 78 Cb 0.51 -1.76 -0.07 0.00 -0.02 0.00 0.00 31.44 30.10 2noc n GLU 78 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2noc h ASN 79 N 0.00 -1.04 -0.05 1.62 -1.24 -1.94 -3.28 115.58 109.64 2noc h ASN 79 Ca -0.06 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.04 2noc h ASN 79 Cb 1.20 0.36 0.00 0.00 0.73 0.00 0.00 38.32 40.61 2noc h ASN 79 CO 0.01 -0.43 0.00 2.29 -1.29 0.00 0.00 177.43 178.01 2noc n LYS 80 N -4.55 2.88 -0.83 6.67 2.85 -1.26 -4.83 118.16 119.09 2noc n LYS 80 Ca -0.07 -1.66 0.02 0.00 -1.05 0.00 0.00 58.31 55.55 2noc n LYS 80 Cb 0.31 -1.08 -0.01 0.00 -0.65 0.00 0.00 35.03 33.60 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 -0.42 -1.30 -2.60 0.58 5.41 -1.15 -3.46 119.36 116.42 2noc n ILE 81 Ca 0.03 0.72 -0.02 0.00 1.00 0.00 0.00 62.75 64.47 2noc n ILE 81 Cb 0.31 -1.17 0.01 0.00 -0.71 0.00 0.00 39.64 38.07 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 -2.39 -0.47 -4.11 1.39 -0.00 -1.10 -4.26 115.22 104.28 2noc n HIS 82 Ca -0.01 -0.59 -0.32 0.00 0.46 0.00 0.00 57.72 57.25 2noc n HIS 82 Cb 0.29 1.00 -0.07 0.00 -0.12 0.00 0.00 29.99 31.09 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 -0.24 2.00 0.17 1.57 0.00 -0.77 -3.45 107.32 106.60 2noc s GLY 83 Ca 0.03 -0.91 0.10 0.00 0.00 0.00 0.00 44.72 43.94 2noc s GLY 83 CO -0.02 -0.81 -0.16 -0.51 0.00 0.00 0.00 173.10 171.60 2noc s THR 84 N -1.22 2.86 -0.03 0.90 -4.23 -1.26 -0.46 115.64 112.20 2noc s THR 84 Ca 0.24 -1.73 0.01 0.00 -1.18 0.00 0.00 61.69 59.03 2noc s THR 84 Cb -0.12 -2.38 0.02 0.00 1.34 0.00 0.00 72.50 71.36 2noc s THR 84 CO 0.15 -0.06 -0.02 0.00 -0.54 0.00 0.00 174.62 174.15 2noc s ALA 85 N -1.56 0.39 -0.18 3.99 0.00 0.33 0.37 121.76 125.10 2noc s ALA 85 Ca 0.22 0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.17 2noc s ALA 85 Cb -0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 2noc s ALA 85 CO 0.12 -0.02 -0.01 0.34 0.00 0.00 0.00 175.76 176.20 2noc s ASP 86 N 0.71 4.83 0.18 0.00 2.15 0.38 0.06 116.67 124.98 2noc s ASP 86 Ca -0.08 -0.17 0.09 0.00 0.43 0.00 0.00 52.55 52.82 2noc s ASP 86 Cb -0.11 -1.81 -0.04 0.00 -0.30 0.00 0.00 42.92 40.66 2noc s ASP 86 CO -0.01 0.10 -0.13 0.27 -0.17 0.00 0.00 175.17 175.23 2noc s ILE 87 N 0.78 2.99 0.09 4.11 -4.36 -1.11 -0.80 121.20 122.90 2noc s ILE 87 Ca -0.00 -1.72 0.04 0.00 -0.26 0.00 0.00 60.65 58.71 2noc s ILE 87 Cb -0.14 -2.46 -0.04 0.00 1.25 0.00 0.00 42.46 41.07 2noc s ILE 87 CO 0.02 -0.09 -0.10 -0.31 0.24 0.00 0.00 174.94 174.70 2noc s TYR 88 N -1.64 1.04 0.16 1.37 1.51 0.76 -3.04 117.35 117.50 2noc s TYR 88 Ca 0.23 -0.65 0.07 0.00 -1.01 0.00 0.00 57.07 55.71 2noc s TYR 88 Cb -0.09 -0.57 -0.04 0.00 -0.11 0.00 0.00 41.96 41.15 2noc s TYR 88 CO 0.14 -0.01 -0.04 0.15 -1.11 0.00 0.00 175.55 174.68 2noc s LYS 89 N -2.75 2.29 0.58 -0.62 -0.14 0.11 0.24 119.74 119.45 2noc s LYS 89 Ca 0.05 -1.11 -0.11 0.00 -1.36 0.00 0.00 55.97 53.43 2noc s LYS 89 Cb -0.03 -2.31 -0.05 0.00 -1.68 0.00 0.00 37.83 33.76 2noc s LYS 89 CO -0.00 0.46 0.98 -1.59 -0.76 0.00 0.00 175.35 174.45 2noc s LYS 90 N -2.76 3.65 0.41 1.68 -2.85 -1.26 -0.07 119.74 118.54 2noc s LYS 90 Ca 0.26 0.70 0.05 0.00 -1.00 0.00 0.00 55.97 55.98 2noc s LYS 90 Cb -0.10 -2.14 0.05 0.00 -2.06 0.00 0.00 37.83 33.59 2noc s LYS 90 CO 0.17 -0.47 0.43 1.63 0.10 0.00 0.00 175.35 177.22 2noc n LYS 91 N -2.48 0.81 0.00 1.78 5.02 -1.14 -4.78 118.16 117.37 2noc n LYS 91 Ca 0.05 -2.39 0.11 0.00 -2.02 0.00 0.00 58.31 54.06 2noc n LYS 91 Cb 0.54 0.06 -0.02 0.00 -0.02 0.00 0.00 35.03 35.59 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 1.91 -0.26 -0.35 -0.00 -1.26 -4.17 117.00 112.87 2noc n LEU 92 Ca 0.05 -0.73 0.01 0.00 -0.00 0.00 0.00 56.01 55.33 2noc n LEU 92 Cb 0.45 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.88 2noc n LEU 92 CO 0.27 0.36 0.43 -0.62 -0.00 0.00 0.00 177.39 177.84 2noc n GLU 93 N -0.19 1.14 -3.32 1.47 4.71 -1.26 -4.76 120.64 118.43 2noc n GLU 93 Ca 0.09 -0.15 -0.33 0.00 -0.01 0.00 0.00 57.16 56.75 2noc n GLU 93 Cb 0.45 -1.22 -0.06 0.00 -1.01 0.00 0.00 31.44 29.61 2noc n GLU 93 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2noc s HIS 94 N -1.64 3.49 0.04 -0.32 3.76 -1.26 -5.02 115.29 114.35 2noc s HIS 94 Ca 0.03 1.04 -0.32 0.00 -0.15 0.00 0.00 55.06 55.66 2noc s HIS 94 Cb 0.02 -2.38 -0.18 0.00 1.11 0.00 0.00 32.58 31.15 2noc s HIS 94 CO 0.01 0.29 1.40 1.25 -0.85 0.00 0.00 174.74 176.85 2noc h HIS 95 N 2.88 -0.95 0.00 1.40 2.76 -1.96 -3.47 115.15 115.81 2noc h HIS 95 Ca -0.48 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 2noc h HIS 95 Cb 1.18 0.31 0.00 0.00 1.55 0.00 0.00 27.41 30.45 2noc h HIS 95 CO 0.63 -0.57 0.00 1.58 -1.30 0.00 0.00 177.93 178.27 2noc n HIS 96 N -5.49 -0.67 -0.90 5.26 -0.00 -1.26 -5.16 115.22 107.00 2noc n HIS 96 Ca -0.14 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.07 2noc n HIS 96 Cb 0.42 0.13 -0.01 0.00 -0.12 0.00 0.00 29.99 30.41 2noc n HIS 96 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2noc n HIS 97 N -1.85 -2.45 -3.70 1.57 8.25 -1.26 -5.05 115.22 110.73 2noc n HIS 97 Ca 0.00 1.33 -0.11 0.00 -0.26 0.00 0.00 57.72 58.68 2noc n HIS 97 Cb 0.00 -2.25 -0.11 0.00 1.12 0.00 0.00 29.99 28.75 2noc n HIS 97 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2noc s HIS 98 N -4.57 -0.56 0.00 4.41 2.46 -1.26 -5.27 115.29 110.49 2noc s HIS 98 Ca 0.00 1.24 0.00 0.00 0.47 0.00 0.00 55.06 56.77 2noc s HIS 98 Cb 0.00 0.24 0.00 0.00 -0.13 0.00 0.00 32.58 32.69 2noc s HIS 98 CO 0.00 -0.31 0.07 1.58 -2.47 0.00 0.00 174.74 173.61