#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2noc n LYS 2 N 0.00 3.66 -2.40 0.03 -0.00 -1.26 -4.93 118.16 113.27 2noc n LYS 2 Ca 0.00 -3.16 -0.41 0.00 -0.00 0.00 0.00 58.31 54.74 2noc n LYS 2 Cb 0.00 -2.93 -0.03 0.00 -0.00 0.00 0.00 35.03 32.07 2noc n LYS 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2noc s THR 3 N 0.87 3.73 0.00 0.58 2.01 -1.26 -4.50 115.64 117.07 2noc s THR 3 Ca 0.47 0.56 0.00 0.00 0.31 0.00 0.00 61.69 63.03 2noc s THR 3 Cb 0.13 -4.52 0.00 0.00 0.01 0.00 0.00 72.50 68.12 2noc s THR 3 CO -0.04 -1.33 0.00 0.61 -0.69 0.00 0.00 174.62 173.17 2noc n GLY 4 N 5.33 1.75 2.78 4.40 0.00 -1.26 -5.15 105.19 113.04 2noc n GLY 4 Ca 0.11 -0.57 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 2noc n GLY 4 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2noc s TYR 5 N 0.00 -0.17 -0.28 1.61 6.14 -1.26 -5.12 117.35 118.28 2noc s TYR 5 Ca 0.00 0.34 -0.29 0.00 0.64 0.00 0.00 57.07 57.76 2noc s TYR 5 Cb 0.00 -0.35 0.00 0.00 0.42 0.00 0.00 41.96 42.03 2noc s TYR 5 CO 0.00 -0.44 1.19 -1.59 0.64 0.00 0.00 175.55 175.36 2noc s LYS 6 N 2.29 4.06 -0.62 4.97 0.00 -1.26 -4.97 119.74 124.20 2noc s LYS 6 Ca 0.04 1.27 -0.22 0.00 0.00 0.00 0.00 55.97 57.06 2noc s LYS 6 Cb -0.14 -3.79 0.07 0.00 0.00 0.00 0.00 37.83 33.97 2noc s LYS 6 CO -0.09 -0.92 0.92 0.14 0.00 0.00 0.00 175.35 175.40 2noc s VAL 7 N 3.85 4.40 -0.03 1.79 -7.23 -1.26 -4.99 120.40 116.94 2noc s VAL 7 Ca 0.51 -0.28 -0.01 0.00 -1.81 0.00 0.00 61.98 60.39 2noc s VAL 7 Cb -0.16 -4.62 0.03 0.00 0.56 0.00 0.00 36.38 32.20 2noc s VAL 7 CO 0.17 -1.32 0.05 -0.32 -0.31 0.00 0.00 175.10 173.37 2noc s MET 8 N 3.86 -0.05 0.73 4.82 0.00 -1.26 -5.14 119.30 122.27 2noc s MET 8 Ca 0.23 0.29 -0.15 0.00 0.00 0.00 0.00 55.69 56.05 2noc s MET 8 Cb -0.17 -0.35 0.04 0.00 0.00 0.00 0.00 34.83 34.35 2noc s MET 8 CO 0.12 -0.24 1.25 -0.48 0.00 0.00 0.00 175.02 175.67 2noc s LEU 9 N 1.56 3.34 0.00 4.11 0.05 -1.26 -4.47 118.68 122.00 2noc s LEU 9 Ca -0.03 2.49 0.00 0.00 0.05 0.00 0.00 54.13 56.64 2noc s LEU 9 Cb -0.13 -4.60 0.00 0.00 -2.05 0.00 0.00 46.19 39.41 2noc s LEU 9 CO -0.03 -2.37 0.00 0.61 -0.55 0.00 0.00 176.35 174.01 2noc n GLY 10 N 0.68 1.59 3.26 -3.48 0.00 -1.26 -5.05 105.19 100.92 2noc n GLY 10 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2noc n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2noc n ALA 11 N 0.00 4.11 -3.59 4.61 0.00 -1.26 -4.81 120.51 119.57 2noc n ALA 11 Ca 0.00 -3.77 -0.28 0.00 0.00 0.00 0.00 53.44 49.39 2noc n ALA 11 Cb 0.00 -3.58 -0.16 0.00 0.00 0.00 0.00 19.45 15.72 2noc n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2noc s LEU 12 N 3.86 0.75 -0.30 0.00 1.43 -1.26 -5.09 118.68 118.07 2noc s LEU 12 Ca 0.53 -1.14 -0.12 0.00 -1.03 0.00 0.00 54.13 52.36 2noc s LEU 12 Cb 0.08 -0.41 0.17 0.00 0.03 0.00 0.00 46.19 46.06 2noc s LEU 12 CO 0.03 -0.41 0.91 0.00 0.23 0.00 0.00 176.35 177.11 2noc s ALA 13 N 2.03 -2.71 -0.09 4.21 0.00 -1.26 -5.16 121.76 118.78 2noc s ALA 13 Ca 0.07 1.94 0.01 0.00 0.00 0.00 0.00 51.96 53.98 2noc s ALA 13 Cb -0.16 -2.13 0.02 0.00 0.00 0.00 0.00 23.12 20.85 2noc s ALA 13 CO -0.27 -1.11 -0.12 0.12 0.00 0.00 0.00 175.76 174.39 2noc s PHE 14 N 2.67 1.60 -0.23 0.00 5.36 -1.26 -5.10 117.98 121.02 2noc s PHE 14 Ca 0.01 -0.71 -0.03 0.00 -0.96 0.00 0.00 56.93 55.24 2noc s PHE 14 Cb -0.09 -1.21 0.12 0.00 -0.34 0.00 0.00 43.02 41.50 2noc s PHE 14 CO -0.17 -0.40 0.30 0.54 -1.46 0.00 0.00 175.22 174.03 2noc s VAL 15 N 1.06 -0.45 -0.14 3.12 0.11 -1.26 -5.14 120.40 117.70 2noc s VAL 15 Ca -0.07 -0.16 -0.05 0.00 -2.93 0.00 0.00 61.98 58.77 2noc s VAL 15 Cb -0.15 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 2noc s VAL 15 CO -0.01 -0.22 0.04 0.54 -3.33 0.00 0.00 175.10 172.12 2noc s VAL 16 N 2.42 4.58 0.01 2.04 0.11 -1.26 -5.10 120.40 123.20 2noc s VAL 16 Ca 0.10 -0.12 0.08 0.00 -2.93 0.00 0.00 61.98 59.11 2noc s VAL 16 Cb -0.15 -3.00 -0.02 0.00 -1.53 0.00 0.00 36.38 31.67 2noc s VAL 16 CO -0.17 0.53 -0.26 0.42 -3.33 0.00 0.00 175.10 172.29 2noc s THR 17 N -0.21 2.07 -0.11 5.04 -4.23 -1.26 -5.13 115.64 111.81 2noc s THR 17 Ca 0.07 -1.22 -0.30 0.00 -1.18 0.00 0.00 61.69 59.06 2noc s THR 17 Cb -0.12 -1.74 0.08 0.00 1.34 0.00 0.00 72.50 72.05 2noc s THR 17 CO 0.02 0.49 0.72 0.54 -0.54 0.00 0.00 174.62 175.84 2noc s ASN 18 N -0.86 -0.65 -0.16 3.99 4.22 -1.26 -5.17 114.94 115.04 2noc s ASN 18 Ca 0.11 0.86 -0.08 0.00 -2.14 0.00 0.00 52.86 51.60 2noc s ASN 18 Cb -0.10 0.73 0.06 0.00 1.28 0.00 0.00 41.25 43.22 2noc s ASN 18 CO 0.00 -0.51 0.38 0.54 -2.04 0.00 0.00 177.10 175.48 2noc s VAL 19 N -0.82 -0.03 -0.41 3.54 0.11 -1.26 -5.09 120.40 116.44 2noc s VAL 19 Ca -0.08 0.10 0.04 0.00 -2.93 0.00 0.00 61.98 59.11 2noc s VAL 19 Cb -0.01 -0.57 0.17 0.00 -1.53 0.00 0.00 36.38 34.44 2noc s VAL 19 CO 0.07 0.04 0.33 -0.31 -3.33 0.00 0.00 175.10 171.90 2noc s TYR 20 N 1.37 1.08 -0.43 1.54 2.02 -1.26 -3.87 117.35 117.80 2noc s TYR 20 Ca -0.10 -2.28 0.05 0.00 -0.37 0.00 0.00 57.07 54.37 2noc s TYR 20 Cb -0.09 -0.93 0.31 0.00 -0.40 0.00 0.00 41.96 40.85 2noc s TYR 20 CO -0.12 -0.83 1.16 0.00 -1.57 0.00 0.00 175.55 174.19 2noc n ALA 21 N 2.93 -1.44 -1.77 3.71 0.00 -1.08 -5.02 120.51 117.84 2noc n ALA 21 Ca 0.28 -1.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.11 2noc n ALA 21 Cb 0.47 -1.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 2noc n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2noc s ALA 22 N 0.27 3.50 0.11 0.00 0.00 -0.74 -4.57 121.76 120.32 2noc s ALA 22 Ca 0.23 1.14 0.06 0.00 0.00 0.00 0.00 51.96 53.40 2noc s ALA 22 Cb 0.28 -3.84 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 2noc s ALA 22 CO -0.11 -1.66 -0.15 -2.00 0.00 0.00 0.00 175.76 171.83 2noc s GLU 23 N 4.55 0.99 -0.06 0.00 2.12 -0.11 -4.89 118.70 121.30 2noc s GLU 23 Ca 0.85 -1.15 -0.25 0.00 0.36 0.00 0.00 54.97 54.78 2noc s GLU 23 Cb -0.39 -0.99 -0.03 0.00 0.26 0.00 0.00 34.13 32.98 2noc s GLU 23 CO 0.38 0.21 0.78 0.42 -0.54 0.00 0.00 175.26 176.50 2noc s ILE 24 N -1.70 4.99 0.13 -3.70 -1.09 -1.26 -1.67 121.20 116.90 2noc s ILE 24 Ca 0.05 1.61 0.06 0.00 -2.23 0.00 0.00 60.65 60.14 2noc s ILE 24 Cb -0.07 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.65 2noc s ILE 24 CO 0.03 0.22 0.01 -0.04 -1.23 0.00 0.00 174.94 173.93 2noc s MET 25 N 0.93 2.52 0.96 2.79 -1.94 -1.26 -5.00 119.30 118.29 2noc s MET 25 Ca 0.41 -0.94 -0.13 0.00 -1.71 0.00 0.00 55.69 53.33 2noc s MET 25 Cb -0.18 -2.48 0.17 0.00 2.01 0.00 0.00 34.83 34.34 2noc s MET 25 CO 0.20 0.50 1.12 0.15 -0.01 0.00 0.00 175.02 176.99 2noc s LYS 26 N -2.60 0.74 0.15 2.03 -0.14 -1.26 -4.77 119.74 113.88 2noc s LYS 26 Ca 0.27 0.36 -0.12 0.00 -1.36 0.00 0.00 55.97 55.12 2noc s LYS 26 Cb -0.11 -1.79 -0.00 0.00 -1.68 0.00 0.00 37.83 34.25 2noc s LYS 26 CO 0.19 -2.49 1.55 -0.22 -0.76 0.00 0.00 175.35 173.62 2noc h LYS 27 N -1.71 0.90 -0.16 1.68 3.64 -2.00 0.34 116.57 119.26 2noc h LYS 27 Ca -0.52 -0.35 -0.08 0.00 -1.27 0.00 0.00 60.65 58.43 2noc h LYS 27 Cb 1.33 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2noc h LYS 27 CO 0.59 1.00 -0.22 1.79 -2.27 0.00 0.00 179.45 180.34 2noc h THR 28 N 0.74 1.35 -0.60 1.00 1.35 -1.99 -1.99 112.91 112.76 2noc h THR 28 Ca 0.12 -1.42 -0.03 0.00 -0.55 0.00 0.00 66.41 64.53 2noc h THR 28 Cb 0.67 1.90 -0.03 0.00 -1.73 0.00 0.00 68.15 68.96 2noc h THR 28 CO 0.05 0.42 0.28 0.44 -0.25 0.00 0.00 175.52 176.46 2noc h ASP 29 N 0.07 0.80 -0.74 5.36 3.32 -1.92 -2.12 116.42 121.18 2noc h ASP 29 Ca 0.02 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 2noc h ASP 29 Cb 0.78 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 2noc h ASP 29 CO 0.05 0.72 0.45 0.15 -1.72 0.00 0.00 179.24 178.88 2noc h PHE 30 N 0.82 0.98 -0.07 4.55 3.57 -0.30 0.27 116.94 126.77 2noc h PHE 30 Ca 0.20 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 2noc h PHE 30 Cb 0.14 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2noc h PHE 30 CO 0.00 0.66 -0.22 0.22 -2.23 0.00 0.00 178.31 176.75 2noc h ASP 31 N 1.02 0.11 0.32 0.41 3.58 -1.09 0.45 116.42 121.22 2noc h ASP 31 Ca 0.27 -0.03 -0.33 0.00 0.42 0.00 0.00 57.03 57.36 2noc h ASP 31 Cb -0.03 -0.03 0.03 0.00 1.72 0.00 0.00 39.33 41.02 2noc h ASP 31 CO -0.05 0.34 -1.48 0.11 -2.88 0.00 0.00 179.24 175.28 2noc h LYS 32 N 0.11 0.48 0.00 0.28 6.56 -0.69 -3.33 116.57 119.98 2noc h LYS 32 Ca 0.02 -0.81 -0.11 0.00 -1.06 0.00 0.00 60.65 58.69 2noc h LYS 32 Cb 0.45 0.30 -0.02 0.00 -0.57 0.00 0.00 32.23 32.40 2noc h LYS 32 CO 0.03 1.39 -0.62 -0.39 -2.06 0.00 0.00 179.45 177.79 2noc h VAL 33 N 0.13 0.81 -0.13 0.50 -1.51 -0.22 -3.27 116.25 112.56 2noc h VAL 33 Ca -0.25 -2.18 0.04 0.00 -1.23 0.00 0.00 66.70 63.08 2noc h VAL 33 Cb 2.13 2.37 -0.01 0.00 -2.13 0.00 0.00 31.29 33.65 2noc h VAL 33 CO 0.25 0.46 0.14 0.00 -1.23 0.00 0.00 177.57 177.19 2noc h ALA 34 N 1.49 1.76 -0.81 5.19 0.00 -0.21 -0.02 119.26 126.67 2noc h ALA 34 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2noc h ALA 34 Cb 1.41 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 2noc h ALA 34 CO 0.06 -0.21 0.45 1.03 0.00 0.00 0.00 179.25 180.59 2noc h SER 35 N 0.00 1.00 -0.68 0.00 0.87 -1.71 -2.40 113.55 110.64 2noc h SER 35 Ca 0.06 -0.09 -0.21 0.00 -1.23 0.00 0.00 61.79 60.32 2noc h SER 35 Cb 0.34 -0.25 -0.13 0.00 -0.44 0.00 0.00 62.40 61.92 2noc h SER 35 CO -0.00 0.80 0.27 -0.62 -0.53 0.00 0.00 176.83 176.75 2noc n GLU 36 N -4.42 3.32 -4.53 2.24 1.02 -0.03 -4.97 120.64 113.27 2noc n GLU 36 Ca 0.08 -2.69 -0.25 0.00 -0.02 0.00 0.00 57.16 54.28 2noc n GLU 36 Cb 0.08 -2.11 -0.10 0.00 -0.02 0.00 0.00 31.44 29.29 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 -2.70 2.15 -0.08 -0.32 1.51 -0.90 0.58 117.35 117.60 2noc s TYR 37 Ca 0.49 -0.87 -0.03 0.00 -1.01 0.00 0.00 57.07 55.64 2noc s TYR 37 Cb 0.39 -1.47 0.04 0.00 -0.11 0.00 0.00 41.96 40.81 2noc s TYR 37 CO 0.12 0.16 0.16 0.99 -1.11 0.00 0.00 175.55 175.87 2noc s THR 38 N -3.06 -0.16 0.07 -0.71 2.01 0.16 -4.62 115.64 109.33 2noc s THR 38 Ca 0.34 0.27 -0.31 0.00 0.31 0.00 0.00 61.69 62.30 2noc s THR 38 Cb 0.09 -0.27 -0.07 0.00 0.01 0.00 0.00 72.50 72.25 2noc s THR 38 CO 0.16 0.11 1.43 -0.75 -0.69 0.00 0.00 174.62 174.88 2noc s LYS 39 N 1.74 4.29 0.00 4.92 2.20 -1.26 -0.74 119.74 130.89 2noc s LYS 39 Ca -0.03 2.07 0.05 0.00 -0.36 0.00 0.00 55.97 57.71 2noc s LYS 39 Cb -0.12 -3.42 0.10 0.00 -1.51 0.00 0.00 37.83 32.88 2noc s LYS 39 CO -0.06 -0.53 0.89 0.44 -0.36 0.00 0.00 175.35 175.73 2noc n ILE 40 N 4.32 0.48 0.00 5.43 -5.35 -1.17 -4.95 119.36 118.11 2noc n ILE 40 Ca 0.13 -0.74 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 2noc n ILE 40 Cb 0.42 0.82 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 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 0.17 3.06 3.80 3.28 0.00 -1.26 -5.05 105.19 109.19 2noc n GLY 41 Ca 0.04 -1.99 -0.27 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 -2.44 4.56 0.34 2.61 2.01 -1.26 -3.19 115.64 118.25 2noc s THR 42 Ca 0.00 -0.97 0.09 0.00 0.31 0.00 0.00 61.69 61.12 2noc s THR 42 Cb 0.00 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.17 2noc s THR 42 CO 0.00 -0.04 0.07 0.27 -0.69 0.00 0.00 174.62 174.22 2noc s ILE 43 N -1.65 2.81 0.17 1.82 -4.36 0.56 -4.96 121.20 115.59 2noc s ILE 43 Ca 0.31 -1.86 -0.08 0.00 -0.26 0.00 0.00 60.65 58.76 2noc s ILE 43 Cb -0.11 -2.87 -0.01 0.00 1.25 0.00 0.00 42.46 40.71 2noc s ILE 43 CO 0.23 -0.20 0.26 -0.55 0.24 0.00 0.00 174.94 174.92 2noc s SER 44 N -3.77 0.07 0.04 4.36 0.15 -1.26 -0.85 113.70 112.44 2noc s SER 44 Ca 0.36 -0.94 0.02 0.00 0.70 0.00 0.00 55.95 56.08 2noc s SER 44 Cb -0.01 0.42 -0.02 0.00 -1.71 0.00 0.00 66.02 64.70 2noc s SER 44 CO 0.21 -0.88 -0.07 0.42 1.20 0.00 0.00 173.24 174.11 2noc s THR 45 N -3.99 0.49 0.00 6.45 -4.23 0.01 -4.96 115.64 109.41 2noc s THR 45 Ca 0.19 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 2noc s THR 45 Cb 0.04 -0.55 0.00 0.00 1.34 0.00 0.00 72.50 73.33 2noc s THR 45 CO 0.01 -0.35 0.00 1.07 -0.54 0.00 0.00 174.62 174.82 2noc n THR 46 N 1.61 0.00 0.00 3.99 5.66 -1.26 -3.45 114.28 120.84 2noc n THR 46 Ca -0.22 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 2noc n THR 46 Cb 0.55 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 2noc n THR 46 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2noc n GLY 47 N -0.00 -0.07 1.01 1.09 0.00 -1.26 -4.90 105.19 101.07 2noc n GLY 47 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.12 -2.62 1.61 0.28 -1.26 -4.93 120.64 113.84 2noc n GLU 48 Ca 0.00 -0.65 -0.23 0.00 -0.16 0.00 0.00 57.16 56.12 2noc n GLU 48 Cb 0.00 0.47 0.04 0.00 1.43 0.00 0.00 31.44 33.37 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 0.01 2.65 0.43 3.44 -1.94 -1.26 -4.99 119.30 117.63 2noc s MET 49 Ca 0.01 -0.55 -0.25 0.00 -1.71 0.00 0.00 55.69 53.19 2noc s MET 49 Cb 0.04 -2.43 -0.08 0.00 2.01 0.00 0.00 34.83 34.37 2noc s MET 49 CO -0.01 -0.70 1.27 -1.12 -0.01 0.00 0.00 175.02 174.46 2noc s SER 50 N -4.38 6.22 0.46 3.03 0.01 -1.26 -4.56 113.70 113.22 2noc s SER 50 Ca 0.55 2.58 0.17 0.00 1.31 0.00 0.00 55.95 60.57 2noc s SER 50 Cb -0.10 -2.63 1.10 0.00 0.21 0.00 0.00 66.02 64.60 2noc s SER 50 CO 0.40 -0.91 2.01 1.55 0.41 0.00 0.00 173.24 176.70 2noc h PRO 51 N 2.47 0.00 0.00 12.44 0.13 -1.85 0.14 132.00 145.34 2noc h PRO 51 Ca -0.50 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.43 2noc h PRO 51 Cb 1.25 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.40 2noc h PRO 51 CO 0.62 0.17 -0.79 1.25 -0.23 0.00 0.00 178.00 179.02 2noc h LEU 52 N 0.00 0.68 -0.90 1.56 5.85 -1.95 -2.97 115.31 117.58 2noc h LEU 52 Ca -0.00 -0.76 -0.03 0.00 0.84 0.00 0.00 57.88 57.93 2noc h LEU 52 Cb 0.33 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2noc h LEU 52 CO 0.02 1.35 0.43 -0.78 -0.34 0.00 0.00 178.44 179.12 2noc h ASP 53 N 0.09 1.10 0.45 1.25 3.58 -1.64 -1.18 116.42 120.07 2noc h ASP 53 Ca -0.10 -0.12 -0.13 0.00 0.42 0.00 0.00 57.03 57.10 2noc h ASP 53 Cb 1.48 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.23 2noc h ASP 53 CO 0.15 0.91 -0.55 0.00 -2.88 0.00 0.00 179.24 176.87 2noc h ALA 54 N 1.26 1.00 -0.03 -0.78 0.00 -0.88 -2.70 119.26 117.13 2noc h ALA 54 Ca 0.30 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2noc h ALA 54 Cb 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2noc h ALA 54 CO -0.04 0.70 -0.01 0.00 0.00 0.00 0.00 179.25 179.90 2noc h ARG 55 N 0.09 0.06 0.00 0.00 3.08 -1.14 -1.95 114.38 114.52 2noc h ARG 55 Ca -0.00 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2noc h ARG 55 Cb 1.01 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 2noc h ARG 55 CO 0.08 0.40 -0.19 1.05 -1.07 0.00 0.00 179.97 180.24 2noc h GLU 56 N -0.29 0.00 -0.38 0.04 4.11 -1.27 0.28 114.58 117.06 2noc h GLU 56 Ca 0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 2noc h GLU 56 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2noc h GLU 56 CO 0.00 0.19 0.03 0.22 0.07 0.00 0.00 179.01 179.53 2noc h ASP 57 N 0.00 0.64 -0.01 3.06 3.58 -1.32 -0.77 116.42 121.59 2noc h ASP 57 Ca -0.00 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.16 2noc h ASP 57 Cb 0.43 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.31 2noc h ASP 57 CO 0.03 0.76 0.00 -0.07 -2.88 0.00 0.00 179.24 177.08 2noc h LEU 58 N 0.49 0.02 -0.66 2.28 3.38 -0.46 -2.31 115.31 118.05 2noc h LEU 58 Ca 0.11 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.92 2noc h LEU 58 Cb 0.42 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 2noc h LEU 58 CO 0.01 0.23 0.37 0.40 0.09 0.00 0.00 178.44 179.54 2noc h ILE 59 N -0.20 0.97 -0.07 1.22 2.04 -0.39 0.21 117.51 121.31 2noc h ILE 59 Ca 0.00 -0.23 -0.17 0.00 1.00 0.00 0.00 64.86 65.46 2noc h ILE 59 Cb 0.22 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 2noc h ILE 59 CO -0.00 0.12 -0.70 0.07 0.00 0.00 0.00 178.15 177.65 2noc h LYS 60 N 0.68 0.31 -0.24 2.37 2.10 -1.18 -2.89 116.57 117.72 2noc h LYS 60 Ca 0.29 -0.24 -0.20 0.00 -2.00 0.00 0.00 60.65 58.50 2noc h LYS 60 Cb 0.17 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 2noc h LYS 60 CO -0.18 0.89 -0.62 0.87 -2.00 0.00 0.00 179.45 178.41 2noc h LYS 61 N 0.21 0.83 -0.59 0.07 1.57 -0.73 0.37 116.57 118.31 2noc h LYS 61 Ca -0.02 -0.58 0.07 0.00 -1.87 0.00 0.00 60.65 58.24 2noc h LYS 61 Cb 1.25 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 33.59 2noc h LYS 61 CO 0.11 1.21 0.28 0.00 -0.57 0.00 0.00 179.45 180.48 2noc h ALA 62 N 0.63 0.77 -0.08 3.86 0.00 -0.66 -1.35 119.26 122.43 2noc h ALA 62 Ca -0.01 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 2noc h ALA 62 Cb 1.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2noc h ALA 62 CO 0.13 -0.09 -0.58 0.22 0.00 0.00 0.00 179.25 178.94 2noc h ASP 63 N 0.51 0.29 -0.67 0.00 3.58 -1.28 -2.81 116.42 116.04 2noc h ASP 63 Ca 0.27 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 2noc h ASP 63 Cb 0.24 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 2noc h ASP 63 CO -0.22 0.80 0.40 -0.33 -2.88 0.00 0.00 179.24 177.01 2noc h GLU 64 N 0.19 0.91 0.00 0.28 5.08 0.46 -2.23 114.58 119.28 2noc h GLU 64 Ca -0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2noc h GLU 64 Cb 1.07 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2noc h GLU 64 CO 0.09 0.66 0.00 1.17 -1.00 0.00 0.00 179.01 179.93 2noc n LYS 65 N -4.56 0.26 0.00 2.33 4.81 -0.58 -4.94 118.16 115.49 2noc n LYS 65 Ca 0.05 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 2noc n LYS 65 Cb 0.06 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.30 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 1.20 0.74 3.40 3.14 0.00 -0.84 -5.07 105.19 107.76 2noc n GLY 66 Ca 0.05 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.01 2.41 -0.23 4.61 0.00 -1.11 -4.70 121.76 122.72 2noc s ALA 67 Ca 0.00 -1.29 -0.17 0.00 0.00 0.00 0.00 51.96 50.49 2noc s ALA 67 Cb 0.00 -0.55 -0.14 0.00 0.00 0.00 0.00 23.12 22.43 2noc s ALA 67 CO 0.00 0.55 -0.07 -3.47 0.00 0.00 0.00 175.76 172.77 2noc n ASP 68 N 1.47 1.90 -4.15 0.00 -0.08 -0.02 -1.79 116.55 113.88 2noc n ASP 68 Ca -0.17 0.40 -0.23 0.00 -1.51 0.00 0.00 54.79 53.28 2noc n ASP 68 Cb 0.52 -0.89 -0.15 0.00 2.34 0.00 0.00 41.12 42.94 2noc n ASP 68 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2noc s VAL 69 N -2.44 1.26 0.02 5.18 1.01 -0.64 -0.94 120.40 123.85 2noc s VAL 69 Ca -0.32 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.00 2noc s VAL 69 Cb 0.09 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 2noc s VAL 69 CO 0.52 0.30 -0.25 0.68 0.00 0.00 0.00 175.10 176.35 2noc s VAL 70 N -0.46 2.22 -0.30 2.92 -7.23 -0.67 -0.83 120.40 116.06 2noc s VAL 70 Ca 0.06 -1.27 0.03 0.00 -1.81 0.00 0.00 61.98 58.98 2noc s VAL 70 Cb -0.06 -1.85 0.08 0.00 0.56 0.00 0.00 36.38 35.11 2noc s VAL 70 CO -0.00 0.43 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.49 2noc s VAL 71 N -0.77 2.30 -0.92 1.32 1.01 0.53 -4.33 120.40 119.55 2noc s VAL 71 Ca 0.12 -1.92 -0.24 0.00 0.00 0.00 0.00 61.98 59.93 2noc s VAL 71 Cb -0.10 -2.50 0.04 0.00 0.00 0.00 0.00 36.38 33.82 2noc s VAL 71 CO 0.02 -0.28 1.44 -0.76 0.00 0.00 0.00 175.10 175.52 2noc s LEU 72 N 1.03 3.38 0.31 3.92 1.43 -1.26 -0.71 118.68 126.78 2noc s LEU 72 Ca -0.00 -1.07 0.06 0.00 -1.03 0.00 0.00 54.13 52.08 2noc s LEU 72 Cb -0.20 -2.57 0.52 0.00 0.03 0.00 0.00 46.19 43.98 2noc s LEU 72 CO -0.06 -1.70 1.76 0.71 0.23 0.00 0.00 176.35 177.29 2noc h THR 73 N 6.61 1.26 -3.48 5.49 1.35 -1.92 -3.49 112.91 118.73 2noc h THR 73 Ca 0.05 -1.23 0.35 0.00 -0.55 0.00 0.00 66.41 65.02 2noc h THR 73 Cb 1.03 1.43 -0.19 0.00 -1.73 0.00 0.00 68.15 68.69 2noc h THR 73 CO 1.37 0.38 -1.22 -1.54 -0.25 0.00 0.00 175.52 174.25 2noc n SER 74 N -4.13 -7.93 0.03 5.36 3.41 0.80 -4.81 113.62 106.34 2noc n SER 74 Ca -0.01 1.40 -0.19 0.00 -0.26 0.00 0.00 58.87 59.81 2noc n SER 74 Cb 0.40 -4.91 -0.14 0.00 -0.26 0.00 0.00 64.21 59.29 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 -1.41 0.29 -3.66 5.00 0.00 -1.84 -3.33 103.07 98.11 2noc h GLY 75 Ca -0.18 -0.73 -0.40 0.00 0.00 0.00 0.00 47.33 46.01 2noc h GLY 75 CO 0.07 0.64 -0.56 -0.18 0.00 0.00 0.00 176.54 176.51 2noc n GLN 76 N -3.43 -3.27 -0.01 4.80 7.27 -1.26 -4.76 117.38 116.73 2noc n GLN 76 Ca -0.25 0.94 -0.11 0.00 0.07 0.00 0.00 57.00 57.65 2noc n GLN 76 Cb 1.05 -5.67 -0.14 0.00 2.41 0.00 0.00 30.24 27.89 2noc n GLN 76 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 2noc h THR 77 N -0.70 0.88 0.00 1.69 2.02 -1.94 -3.48 112.91 111.37 2noc h THR 77 Ca -0.50 -2.69 0.00 0.00 0.77 0.00 0.00 66.41 63.99 2noc h THR 77 Cb 1.36 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 70.25 2noc h THR 77 CO 0.57 0.60 0.00 1.21 0.37 0.00 0.00 175.52 178.27 2noc n GLU 78 N -3.16 0.00 0.00 6.66 2.13 -1.26 -4.60 120.64 120.41 2noc n GLU 78 Ca -0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.64 2noc n GLU 78 Cb 1.04 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.75 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 1.93 0.00 0.00 4.31 4.05 -1.26 -4.53 115.26 119.76 2noc n ASN 79 Ca 0.00 0.88 0.00 0.00 0.45 0.00 0.00 54.58 55.91 2noc n ASN 79 Cb 0.00 -0.38 0.00 0.00 1.23 0.00 0.00 39.78 40.63 2noc n ASN 79 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 2noc n LYS 80 N -1.99 0.03 -1.37 1.20 2.85 -1.26 -4.74 118.16 112.87 2noc n LYS 80 Ca 0.00 -0.26 0.08 0.00 -1.05 0.00 0.00 58.31 57.08 2noc n LYS 80 Cb 0.00 -0.51 -0.05 0.00 -0.65 0.00 0.00 35.03 33.82 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 -0.01 -1.74 -2.03 0.58 5.41 -1.26 -4.19 119.36 116.13 2noc n ILE 81 Ca 0.00 1.10 -0.04 0.00 1.00 0.00 0.00 62.75 64.80 2noc n ILE 81 Cb 0.36 -1.75 -0.05 0.00 -0.71 0.00 0.00 39.64 37.50 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 -3.34 0.00 -2.46 1.39 -0.00 -1.23 -4.16 115.22 105.42 2noc n HIS 82 Ca -0.05 -0.36 0.00 0.00 0.46 0.00 0.00 57.72 57.77 2noc n HIS 82 Cb 0.54 0.39 0.00 0.00 -0.12 0.00 0.00 29.99 30.80 2noc n HIS 82 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2noc n GLY 83 N 0.03 2.66 3.33 1.57 0.00 -1.22 -4.74 105.19 106.82 2noc n GLY 83 Ca -0.18 -2.07 -0.21 0.00 0.00 0.00 0.00 46.02 43.56 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 1.49 0.11 -0.21 2.61 -4.23 -1.25 -0.81 115.64 113.36 2noc s THR 84 Ca 0.00 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 2noc s THR 84 Cb 0.00 -2.46 0.06 0.00 1.34 0.00 0.00 72.50 71.45 2noc s THR 84 CO 0.00 0.00 0.53 0.00 -0.54 0.00 0.00 174.62 174.61 2noc s ALA 85 N -3.39 -1.36 -0.16 3.99 0.00 -0.03 -0.14 121.76 120.67 2noc s ALA 85 Ca 0.37 1.75 -0.02 0.00 0.00 0.00 0.00 51.96 54.06 2noc s ALA 85 Cb 0.02 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 2noc s ALA 85 CO 0.25 -0.29 -0.08 0.34 0.00 0.00 0.00 175.76 175.98 2noc s ASP 86 N 1.06 4.30 0.17 0.00 2.15 0.11 -0.32 116.67 124.14 2noc s ASP 86 Ca -0.06 -0.29 0.09 0.00 0.43 0.00 0.00 52.55 52.72 2noc s ASP 86 Cb -0.06 -1.69 -0.04 0.00 -0.30 0.00 0.00 42.92 40.83 2noc s ASP 86 CO -0.10 0.11 -0.15 0.27 -0.17 0.00 0.00 175.17 175.14 2noc s ILE 87 N 0.67 2.94 0.03 4.11 -4.36 -1.19 -0.34 121.20 123.05 2noc s ILE 87 Ca -0.04 -1.68 0.04 0.00 -0.26 0.00 0.00 60.65 58.70 2noc s ILE 87 Cb -0.15 -2.42 -0.02 0.00 1.25 0.00 0.00 42.46 41.12 2noc s ILE 87 CO 0.02 -0.05 -0.12 -0.31 0.24 0.00 0.00 174.94 174.72 2noc s TYR 88 N -1.55 1.07 0.35 1.37 1.51 -0.01 -3.05 117.35 117.04 2noc s TYR 88 Ca 0.22 -0.35 0.08 0.00 -1.01 0.00 0.00 57.07 56.01 2noc s TYR 88 Cb -0.09 -0.64 -0.03 0.00 -0.11 0.00 0.00 41.96 41.08 2noc s TYR 88 CO 0.13 0.01 0.22 -1.59 -1.11 0.00 0.00 175.55 173.22 2noc s LYS 89 N -1.09 2.53 0.30 -0.62 -2.85 0.08 -0.84 119.74 117.26 2noc s LYS 89 Ca -0.00 -1.44 -0.28 0.00 -1.00 0.00 0.00 55.97 53.25 2noc s LYS 89 Cb -0.08 -2.31 -0.09 0.00 -2.06 0.00 0.00 37.83 33.29 2noc s LYS 89 CO 0.01 0.08 0.99 0.21 0.10 0.00 0.00 175.35 176.74 2noc s LYS 90 N -3.93 4.60 1.30 1.78 2.20 -1.26 0.38 119.74 124.81 2noc s LYS 90 Ca 0.40 1.50 -0.20 0.00 -0.36 0.00 0.00 55.97 57.31 2noc s LYS 90 Cb -0.04 -2.97 0.32 0.00 -1.51 0.00 0.00 37.83 33.63 2noc s LYS 90 CO 0.25 0.26 1.02 0.15 -0.36 0.00 0.00 175.35 176.67 2noc s LYS 91 N -1.76 -1.96 0.18 4.03 1.02 0.20 -4.73 119.74 116.72 2noc s LYS 91 Ca 0.48 0.10 0.17 0.00 0.02 0.00 0.00 55.97 56.74 2noc s LYS 91 Cb -0.24 -1.49 -0.02 0.00 -0.52 0.00 0.00 37.83 35.56 2noc s LYS 91 CO 0.30 -4.23 1.12 1.37 -0.92 0.00 0.00 175.35 172.99 2noc h LEU 92 N -2.96 0.00 -8.37 3.17 8.10 -1.97 -3.41 115.31 109.87 2noc h LEU 92 Ca -0.46 0.00 -0.59 0.00 0.11 0.00 0.00 57.88 56.94 2noc h LEU 92 Cb 1.32 0.00 -0.11 0.00 -0.44 0.00 0.00 40.66 41.43 2noc h LEU 92 CO 0.33 0.43 0.75 -1.61 -4.11 0.00 0.00 178.44 174.23 2noc s GLU 93 N -3.02 3.23 0.19 0.17 2.02 -1.26 -4.96 118.70 115.07 2noc s GLU 93 Ca 0.00 -0.41 0.01 0.00 0.02 0.00 0.00 54.97 54.59 2noc s GLU 93 Cb 0.08 -4.15 -0.00 0.00 0.10 0.00 0.00 34.13 30.16 2noc s GLU 93 CO 0.78 -1.82 0.24 -2.39 0.02 0.00 0.00 175.26 172.08 2noc n HIS 94 N 8.22 -0.83 -2.58 1.61 1.44 -1.26 -4.91 115.22 116.92 2noc n HIS 94 Ca 0.01 -1.37 -0.00 0.00 -2.01 0.00 0.00 57.72 54.35 2noc n HIS 94 Cb 0.47 0.26 0.00 0.00 0.12 0.00 0.00 29.99 30.84 2noc n HIS 94 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2noc n HIS 95 N -0.33 -2.07 -1.17 -1.40 -0.00 -1.26 -4.94 115.22 104.05 2noc n HIS 95 Ca 0.02 0.79 -0.05 0.00 -0.00 0.00 0.00 57.72 58.48 2noc n HIS 95 Cb 0.33 -3.31 0.25 0.00 -0.00 0.00 0.00 29.99 27.25 2noc n HIS 95 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2noc n HIS 96 N -1.53 1.85 -0.25 1.57 -0.00 -1.26 -5.03 115.22 110.57 2noc n HIS 96 Ca -0.00 -1.32 0.00 0.00 -0.00 0.00 0.00 57.72 56.40 2noc n HIS 96 Cb 0.50 -0.59 0.00 0.00 -0.00 0.00 0.00 29.99 29.90 2noc n HIS 96 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2noc n HIS 97 N -0.62 -0.69 -3.62 -1.40 8.25 -1.26 -5.13 115.22 110.74 2noc n HIS 97 Ca 0.37 0.36 -0.03 0.00 -0.26 0.00 0.00 57.72 58.16 2noc n HIS 97 Cb 1.23 -1.47 -0.01 0.00 1.12 0.00 0.00 29.99 30.85 2noc n HIS 97 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2noc s HIS 98 N -2.02 -0.15 0.00 4.41 -3.43 -1.26 -5.28 115.29 107.56 2noc s HIS 98 Ca 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 55.06 54.26 2noc s HIS 98 Cb 0.00 0.56 0.00 0.00 -1.43 0.00 0.00 32.58 31.71 2noc s HIS 98 CO 0.00 -0.45 0.00 1.58 -2.00 0.00 0.00 174.74 173.87