#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 3.62 -3.51 2.12 2.85 -1.26 -4.87 118.16 117.11 2noc n LYS 2 Ca 0.00 -3.92 -0.06 0.00 -1.05 0.00 0.00 58.31 53.28 2noc n LYS 2 Cb 0.00 -2.86 -0.07 0.00 -0.65 0.00 0.00 35.03 31.44 2noc n LYS 2 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2noc s THR 3 N 0.21 -0.73 0.00 0.58 2.01 -1.26 -5.06 115.64 111.39 2noc s THR 3 Ca 0.39 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.45 2noc s THR 3 Cb 0.01 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.73 2noc s THR 3 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 2noc n GLY 4 N 5.40 -1.56 3.19 4.40 0.00 -1.26 -5.12 105.19 110.23 2noc n GLY 4 Ca -0.07 0.57 -0.36 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 3.33 -0.22 1.61 2.02 -1.26 -5.08 117.35 117.75 2noc s TYR 5 Ca 0.00 -1.88 0.02 0.00 -0.37 0.00 0.00 57.07 54.84 2noc s TYR 5 Cb 0.00 -2.40 0.04 0.00 -0.40 0.00 0.00 41.96 39.20 2noc s TYR 5 CO 0.00 -0.82 -0.15 -1.59 -1.57 0.00 0.00 175.55 171.42 2noc s LYS 6 N 1.27 2.64 -0.30 -0.62 0.00 -1.26 -5.03 119.74 116.44 2noc s LYS 6 Ca -0.01 -1.08 -0.06 0.00 0.00 0.00 0.00 55.97 54.82 2noc s LYS 6 Cb -0.20 -2.76 0.19 0.00 0.00 0.00 0.00 37.83 35.06 2noc s LYS 6 CO -0.01 -0.39 0.90 0.54 0.00 0.00 0.00 175.35 176.39 2noc s VAL 7 N 1.21 -0.50 -0.55 1.79 0.11 -1.26 -5.04 120.40 116.15 2noc s VAL 7 Ca -0.02 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.09 2noc s VAL 7 Cb -0.17 -0.54 -0.00 0.00 -1.53 0.00 0.00 36.38 34.14 2noc s VAL 7 CO -0.09 0.00 0.48 1.15 -3.33 0.00 0.00 175.10 173.32 2noc n MET 8 N 5.23 2.38 -4.40 1.54 0.00 -1.26 -4.90 117.12 115.71 2noc n MET 8 Ca 0.07 -0.46 -0.19 0.00 0.00 0.00 0.00 57.70 57.11 2noc n MET 8 Cb 0.56 -0.95 -0.14 0.00 0.00 0.00 0.00 33.22 32.69 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 -1.36 2.08 0.00 3.17 1.43 -1.26 -4.84 118.68 117.89 2noc s LEU 9 Ca 0.05 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2noc s LEU 9 Cb 0.05 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.73 2noc s LEU 9 CO 0.15 0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.43 2noc n GLY 10 N 2.48 3.08 2.47 -3.19 0.00 -1.26 -5.03 105.19 103.74 2noc n GLY 10 Ca -0.15 -0.89 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.27 -1.94 4.61 0.00 -1.26 -4.94 120.51 116.71 2noc n ALA 11 Ca 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 53.44 52.22 2noc n ALA 11 Cb 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 19.45 19.55 2noc n ALA 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2noc n LEU 12 N 0.00 -4.26 -0.11 0.00 -0.00 -1.26 -5.02 117.00 106.35 2noc n LEU 12 Ca 0.11 1.32 -0.22 0.00 -0.00 0.00 0.00 56.01 57.22 2noc n LEU 12 Cb 0.37 -2.19 -0.10 0.00 -0.00 0.00 0.00 43.42 41.50 2noc n LEU 12 CO 0.26 -1.92 -0.65 0.00 -0.00 0.00 0.00 177.39 175.07 2noc n ALA 13 N 0.92 0.82 -3.63 1.96 0.00 -1.26 -5.01 120.51 114.31 2noc n ALA 13 Ca -0.15 -0.58 -0.13 0.00 0.00 0.00 0.00 53.44 52.59 2noc n ALA 13 Cb 0.23 -0.40 -0.07 0.00 0.00 0.00 0.00 19.45 19.20 2noc n ALA 13 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2noc s PHE 14 N -2.38 -0.72 -0.74 0.00 -0.71 -1.26 -5.10 117.98 107.06 2noc s PHE 14 Ca -0.29 1.75 -0.26 0.00 -1.04 0.00 0.00 56.93 57.09 2noc s PHE 14 Cb 0.07 0.30 -0.02 0.00 -1.21 0.00 0.00 43.02 42.16 2noc s PHE 14 CO 0.54 -0.35 1.83 0.08 -1.34 0.00 0.00 175.22 175.99 2noc s VAL 15 N 0.38 3.44 -0.61 -2.49 1.01 -1.26 -4.92 120.40 115.95 2noc s VAL 15 Ca 0.00 -0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.68 2noc s VAL 15 Cb -0.05 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.27 2noc s VAL 15 CO -0.01 -1.04 1.30 -0.69 0.00 0.00 0.00 175.10 174.66 2noc s VAL 16 N 9.01 3.86 -1.24 2.92 1.01 -1.26 -4.93 120.40 129.77 2noc s VAL 16 Ca 0.65 0.71 -0.11 0.00 0.00 0.00 0.00 61.98 63.22 2noc s VAL 16 Cb -0.10 -4.65 0.18 0.00 0.00 0.00 0.00 36.38 31.81 2noc s VAL 16 CO 0.11 -1.39 1.64 0.41 0.00 0.00 0.00 175.10 175.88 2noc n THR 17 N 6.69 4.34 0.00 3.92 -1.04 -1.26 -4.83 114.28 122.10 2noc n THR 17 Ca 0.09 -4.63 0.00 0.00 -2.04 0.00 0.00 64.05 57.47 2noc n THR 17 Cb 0.49 -2.40 0.00 0.00 -1.82 0.00 0.00 70.33 66.60 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 4.57 0.00 0.18 8.00 2.85 -1.26 -4.99 115.26 124.61 2noc n ASN 18 Ca 0.38 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 54.98 2noc n ASN 18 Cb 0.39 0.00 0.50 0.00 1.24 0.00 0.00 39.78 41.91 2noc n ASN 18 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 2noc h VAL 19 N 0.27 0.00 -2.55 3.44 -1.51 -2.01 -3.49 116.25 110.40 2noc h VAL 19 Ca 0.00 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 2noc h VAL 19 Cb 0.00 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 2noc h VAL 19 CO 0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 177.57 175.99 2noc n TYR 20 N -2.56 -1.78 -2.63 5.19 9.36 -1.26 -4.62 117.16 118.86 2noc n TYR 20 Ca 0.02 1.06 -0.32 0.00 3.32 0.00 0.00 57.90 61.99 2noc n TYR 20 Cb 0.32 -2.64 -0.05 0.00 -0.63 0.00 0.00 39.34 36.34 2noc n TYR 20 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2noc s ALA 21 N -0.20 3.10 -0.27 2.98 0.00 -1.26 -4.22 121.76 121.89 2noc s ALA 21 Ca 0.00 0.22 -0.39 0.00 0.00 0.00 0.00 51.96 51.79 2noc s ALA 21 Cb 0.00 -3.07 -0.14 0.00 0.00 0.00 0.00 23.12 19.90 2noc s ALA 21 CO 0.00 -0.06 1.86 0.00 0.00 0.00 0.00 175.76 177.56 2noc n ALA 22 N -1.16 0.20 -2.59 0.00 0.00 -1.15 -4.73 120.51 111.08 2noc n ALA 22 Ca 0.06 0.29 -0.09 0.00 0.00 0.00 0.00 53.44 53.71 2noc n ALA 22 Cb 0.54 -2.32 -0.11 0.00 0.00 0.00 0.00 19.45 17.57 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 4.17 0.47 -0.18 0.00 2.12 0.79 -4.96 118.70 121.11 2noc s GLU 23 Ca 1.00 -0.89 -0.18 0.00 0.36 0.00 0.00 54.97 55.26 2noc s GLU 23 Cb -0.99 0.11 -0.04 0.00 0.26 0.00 0.00 34.13 33.47 2noc s GLU 23 CO 0.61 -0.06 0.49 0.42 -0.54 0.00 0.00 175.26 176.17 2noc s ILE 24 N -2.52 5.14 0.18 -3.70 -1.09 -1.26 -2.63 121.20 115.32 2noc s ILE 24 Ca -0.05 0.91 0.03 0.00 -2.23 0.00 0.00 60.65 59.30 2noc s ILE 24 Cb -0.02 -3.81 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 2noc s ILE 24 CO -0.05 0.22 0.32 -0.04 -1.23 0.00 0.00 174.94 174.16 2noc s MET 25 N 1.38 3.45 0.75 2.79 -1.94 -1.26 -5.04 119.30 119.44 2noc s MET 25 Ca 0.23 -0.59 -0.13 0.00 -1.71 0.00 0.00 55.69 53.49 2noc s MET 25 Cb -0.15 -2.93 0.05 0.00 2.01 0.00 0.00 34.83 33.81 2noc s MET 25 CO 0.09 0.48 1.14 0.15 -0.01 0.00 0.00 175.02 176.87 2noc s LYS 26 N -3.44 2.16 0.36 2.03 1.02 -1.26 -4.75 119.74 115.87 2noc s LYS 26 Ca 0.35 1.46 0.07 0.00 0.02 0.00 0.00 55.97 57.86 2noc s LYS 26 Cb -0.11 -1.87 0.69 0.00 -0.52 0.00 0.00 37.83 36.03 2noc s LYS 26 CO 0.29 -1.75 1.89 -0.22 -0.92 0.00 0.00 175.35 174.64 2noc h LYS 27 N -0.70 0.39 0.02 1.68 1.63 -1.98 0.64 116.57 118.24 2noc h LYS 27 Ca -0.45 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 59.26 2noc h LYS 27 Cb 1.26 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2noc h LYS 27 CO 0.50 0.47 -0.01 1.79 -3.45 0.00 0.00 179.45 178.75 2noc h THR 28 N 0.37 1.46 -0.94 1.00 1.35 -2.00 -2.95 112.91 111.21 2noc h THR 28 Ca 0.08 -1.74 0.07 0.00 -0.55 0.00 0.00 66.41 64.28 2noc h THR 28 Cb 0.35 2.59 -0.06 0.00 -1.73 0.00 0.00 68.15 69.30 2noc h THR 28 CO 0.02 0.43 0.61 0.44 -0.25 0.00 0.00 175.52 176.76 2noc h ASP 29 N -0.81 0.93 -0.61 5.36 5.19 -1.88 -1.58 116.42 123.02 2noc h ASP 29 Ca -0.00 0.01 0.06 0.00 -0.62 0.00 0.00 57.03 56.48 2noc h ASP 29 Cb 0.73 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 40.00 2noc h ASP 29 CO 0.00 0.58 0.31 0.15 -3.12 0.00 0.00 179.24 177.17 2noc h PHE 30 N 1.05 0.57 -0.09 4.55 3.57 0.24 0.55 116.94 127.37 2noc h PHE 30 Ca 0.41 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.87 2noc h PHE 30 Cb 0.24 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2noc h PHE 30 CO -0.00 0.26 -0.26 0.22 -2.23 0.00 0.00 178.31 176.29 2noc h ASP 31 N 0.58 0.16 0.67 0.41 3.58 -1.12 0.26 116.42 120.97 2noc h ASP 31 Ca 0.28 -0.05 -0.27 0.00 0.42 0.00 0.00 57.03 57.42 2noc h ASP 31 Cb 0.21 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2noc h ASP 31 CO -0.20 0.43 -1.33 0.11 -2.88 0.00 0.00 179.24 175.37 2noc h LYS 32 N 0.15 0.13 0.00 0.28 6.56 -0.65 -3.29 116.57 119.75 2noc h LYS 32 Ca 0.02 -0.23 -0.03 0.00 -1.06 0.00 0.00 60.65 59.35 2noc h LYS 32 Cb 0.55 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.29 2noc h LYS 32 CO 0.04 1.00 -0.68 -0.39 -2.06 0.00 0.00 179.45 177.36 2noc h VAL 33 N 0.04 0.16 -0.11 0.50 -1.51 0.24 -3.29 116.25 112.28 2noc h VAL 33 Ca -0.15 -1.27 0.03 0.00 -1.23 0.00 0.00 66.70 64.08 2noc h VAL 33 Cb 1.93 1.83 -0.00 0.00 -2.13 0.00 0.00 31.29 32.91 2noc h VAL 33 CO 0.15 0.09 0.14 0.00 -1.23 0.00 0.00 177.57 176.72 2noc h ALA 34 N 1.87 1.65 -0.87 5.19 0.00 -0.55 0.41 119.26 126.96 2noc h ALA 34 Ca -0.02 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.95 2noc h ALA 34 Cb 1.12 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 2noc h ALA 34 CO 0.01 -0.20 0.53 1.03 0.00 0.00 0.00 179.25 180.63 2noc h SER 35 N 0.00 0.83 -0.82 0.00 0.87 -1.71 -2.12 113.55 110.59 2noc h SER 35 Ca 0.05 0.02 -0.33 0.00 -1.23 0.00 0.00 61.79 60.30 2noc h SER 35 Cb 0.34 -0.15 -0.20 0.00 -0.44 0.00 0.00 62.40 61.95 2noc h SER 35 CO -0.00 0.52 0.42 -0.62 -0.53 0.00 0.00 176.83 176.62 2noc n GLU 36 N -4.63 3.05 -4.58 2.24 1.02 0.13 -4.97 120.64 112.89 2noc n GLU 36 Ca 0.13 -2.93 -0.27 0.00 -0.02 0.00 0.00 57.16 54.07 2noc n GLU 36 Cb 0.20 -2.17 -0.11 0.00 -0.02 0.00 0.00 31.44 29.34 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 -3.01 2.41 -0.12 -0.32 1.51 -0.80 -0.73 117.35 116.29 2noc s TYR 37 Ca 0.54 -0.71 -0.07 0.00 -1.01 0.00 0.00 57.07 55.82 2noc s TYR 37 Cb 0.44 -1.67 0.05 0.00 -0.11 0.00 0.00 41.96 40.67 2noc s TYR 37 CO 0.12 0.38 0.29 0.99 -1.11 0.00 0.00 175.55 176.22 2noc s THR 38 N -2.81 -0.03 -0.20 -0.71 2.01 0.17 -4.63 115.64 109.43 2noc s THR 38 Ca 0.35 0.12 -0.21 0.00 0.31 0.00 0.00 61.69 62.27 2noc s THR 38 Cb 0.09 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 2noc s THR 38 CO 0.17 0.05 0.63 -0.75 -0.69 0.00 0.00 174.62 174.04 2noc s LYS 39 N 1.21 4.21 0.00 4.92 2.20 -1.26 0.01 119.74 131.02 2noc s LYS 39 Ca -0.09 0.62 0.24 0.00 -0.36 0.00 0.00 55.97 56.38 2noc s LYS 39 Cb -0.09 -3.58 0.32 0.00 -1.51 0.00 0.00 37.83 32.96 2noc s LYS 39 CO -0.09 -0.25 1.29 0.44 -0.36 0.00 0.00 175.35 176.38 2noc n ILE 40 N 4.73 0.00 0.00 5.43 -5.35 -1.24 -4.99 119.36 117.93 2noc n ILE 40 Ca -0.01 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 2noc n ILE 40 Cb 0.50 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 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 1.39 3.68 3.77 3.28 0.00 -1.26 -5.11 105.19 110.94 2noc n GLY 41 Ca 0.10 -1.56 -0.26 0.00 0.00 0.00 0.00 46.02 44.31 2noc n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2noc s THR 42 N -2.00 4.30 0.26 2.61 2.01 -1.26 -3.43 115.64 118.13 2noc s THR 42 Ca 0.00 -1.20 0.07 0.00 0.31 0.00 0.00 61.69 60.87 2noc s THR 42 Cb 0.00 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.25 2noc s THR 42 CO 0.00 -0.14 -0.08 0.27 -0.69 0.00 0.00 174.62 173.98 2noc s ILE 43 N -1.79 1.67 0.24 1.82 -4.36 0.29 -4.99 121.20 114.07 2noc s ILE 43 Ca 0.30 -2.15 -0.22 0.00 -0.26 0.00 0.00 60.65 58.32 2noc s ILE 43 Cb -0.10 -2.32 0.03 0.00 1.25 0.00 0.00 42.46 41.32 2noc s ILE 43 CO 0.22 -0.39 0.75 -0.94 0.24 0.00 0.00 174.94 174.83 2noc s SER 44 N -3.40 -0.28 -0.06 4.36 1.04 -1.26 -0.35 113.70 113.75 2noc s SER 44 Ca 0.27 -0.50 -0.08 0.00 0.48 0.00 0.00 55.95 56.13 2noc s SER 44 Cb 0.02 0.67 0.02 0.00 0.10 0.00 0.00 66.02 66.83 2noc s SER 44 CO 0.10 -1.22 0.20 0.42 0.98 0.00 0.00 173.24 173.73 2noc s THR 45 N -3.78 0.02 -0.20 2.02 -4.23 0.10 -4.89 115.64 104.68 2noc s THR 45 Ca 0.10 -0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 60.33 2noc s THR 45 Cb -0.05 -0.35 0.07 0.00 1.34 0.00 0.00 72.50 73.51 2noc s THR 45 CO 0.04 -0.10 0.48 -0.89 -0.54 0.00 0.00 174.62 173.61 2noc s THR 46 N -0.30 -0.13 0.00 3.99 2.01 -1.26 -0.40 115.64 119.55 2noc s THR 46 Ca -0.04 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.04 2noc s THR 46 Cb -0.03 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.76 2noc s THR 46 CO 0.01 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 2noc n GLY 47 N 4.46 0.51 2.72 4.40 0.00 -1.26 -5.03 105.19 110.99 2noc n GLY 47 Ca -0.20 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 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 0.39 0.27 1.61 -1.05 -1.26 -4.39 118.70 114.27 2noc s GLU 48 Ca 0.00 0.05 -0.00 0.00 -0.15 0.00 0.00 54.97 54.87 2noc s GLU 48 Cb 0.00 -1.19 -0.02 0.00 -0.44 0.00 0.00 34.13 32.48 2noc s GLU 48 CO 0.00 -0.42 0.28 -1.64 0.95 0.00 0.00 175.26 174.43 2noc s MET 49 N 2.02 1.54 -0.03 -4.83 -1.94 -0.38 -5.05 119.30 110.62 2noc s MET 49 Ca 0.04 -1.72 -0.05 0.00 -1.71 0.00 0.00 55.69 52.24 2noc s MET 49 Cb -0.14 0.34 -0.04 0.00 2.01 0.00 0.00 34.83 37.01 2noc s MET 49 CO -0.06 -0.57 0.20 -1.12 -0.01 0.00 0.00 175.02 173.46 2noc s SER 50 N -3.22 6.42 0.11 3.03 0.01 -1.26 -4.03 113.70 114.76 2noc s SER 50 Ca 0.36 0.45 -0.26 0.00 1.31 0.00 0.00 55.95 57.81 2noc s SER 50 Cb 0.03 -2.05 -0.09 0.00 0.21 0.00 0.00 66.02 64.12 2noc s SER 50 CO 0.18 0.30 1.65 1.55 0.41 0.00 0.00 173.24 177.33 2noc h PRO 51 N 4.18 -0.39 -0.01 12.44 0.13 -1.89 0.37 132.00 146.83 2noc h PRO 51 Ca -0.51 0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 64.47 2noc h PRO 51 Cb 1.20 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 2noc h PRO 51 CO 0.65 -0.26 -0.79 -0.07 -0.23 0.00 0.00 178.00 177.30 2noc h LEU 52 N -0.41 0.16 -0.67 1.56 4.07 -1.96 -2.34 115.31 115.73 2noc h LEU 52 Ca 0.02 -0.12 -0.14 0.00 0.08 0.00 0.00 57.88 57.72 2noc h LEU 52 Cb 0.43 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 2noc h LEU 52 CO -0.11 0.88 -0.49 0.44 -1.08 0.00 0.00 178.44 178.07 2noc h ASP 53 N 0.08 0.47 -0.08 -0.43 5.19 -1.88 0.25 116.42 120.02 2noc h ASP 53 Ca -0.02 -0.23 -0.15 0.00 -0.62 0.00 0.00 57.03 56.01 2noc h ASP 53 Cb 1.38 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.75 2noc h ASP 53 CO 0.11 0.89 -0.45 0.00 -3.12 0.00 0.00 179.24 176.68 2noc h ALA 54 N 1.12 0.76 -0.74 3.45 0.00 -0.22 -2.25 119.26 121.39 2noc h ALA 54 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2noc h ALA 54 Cb 0.99 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2noc h ALA 54 CO 0.09 0.66 0.46 0.00 0.00 0.00 0.00 179.25 180.46 2noc h ARG 55 N 0.50 0.99 -0.67 0.00 3.08 -0.98 -1.04 114.38 116.25 2noc h ARG 55 Ca 0.03 -0.08 0.06 0.00 0.07 0.00 0.00 59.98 60.06 2noc h ARG 55 Cb 0.98 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.76 2noc h ARG 55 CO 0.09 0.68 0.38 0.93 -1.07 0.00 0.00 179.97 180.98 2noc h GLU 56 N 1.00 0.68 -0.57 0.04 4.39 -0.71 0.42 114.58 119.83 2noc h GLU 56 Ca 0.27 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.86 2noc h GLU 56 Cb -0.07 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.40 2noc h GLU 56 CO -0.05 0.45 0.09 0.22 -1.16 0.00 0.00 179.01 178.56 2noc h ASP 57 N 0.70 0.91 0.06 1.42 3.58 -0.81 0.12 116.42 122.41 2noc h ASP 57 Ca 0.30 -0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 2noc h ASP 57 Cb 0.18 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2noc h ASP 57 CO -0.18 0.94 -0.03 -0.07 -2.88 0.00 0.00 179.24 177.03 2noc h LEU 58 N 0.85 -0.07 -0.38 2.28 3.38 -0.77 -2.43 115.31 118.17 2noc h LEU 58 Ca 0.17 -0.44 -0.15 0.00 0.09 0.00 0.00 57.88 57.56 2noc h LEU 58 Cb 0.42 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2noc h LEU 58 CO 0.01 0.43 -0.33 0.40 0.09 0.00 0.00 178.44 179.04 2noc h ILE 59 N -0.58 1.28 -0.20 1.22 2.04 -0.12 0.39 117.51 121.53 2noc h ILE 59 Ca -0.01 -1.50 -0.14 0.00 1.00 0.00 0.00 64.86 64.21 2noc h ILE 59 Cb 0.51 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 2noc h ILE 59 CO 0.01 0.50 -0.47 0.11 0.00 0.00 0.00 178.15 178.31 2noc h LYS 60 N 0.70 0.52 -0.24 2.37 1.79 -0.86 -0.20 116.57 120.64 2noc h LYS 60 Ca 0.07 -0.29 -0.18 0.00 -2.18 0.00 0.00 60.65 58.07 2noc h LYS 60 Cb 0.92 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 2noc h LYS 60 CO 0.08 0.87 -0.55 -0.22 -1.08 0.00 0.00 179.45 178.56 2noc h LYS 61 N 0.41 0.80 -0.57 3.15 3.64 -1.31 0.22 116.57 122.91 2noc h LYS 61 Ca 0.02 -0.54 0.05 0.00 -1.27 0.00 0.00 60.65 58.92 2noc h LYS 61 Cb 0.97 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.82 2noc h LYS 61 CO 0.09 1.16 0.29 0.00 -2.27 0.00 0.00 179.45 178.72 2noc h ALA 62 N 0.63 0.75 -0.62 5.00 0.00 -0.79 0.25 119.26 124.47 2noc h ALA 62 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2noc h ALA 62 Cb 1.16 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2noc h ALA 62 CO 0.12 -0.05 0.33 0.22 0.00 0.00 0.00 179.25 179.87 2noc h ASP 63 N 0.56 0.79 -0.74 0.00 1.82 -0.80 0.97 116.42 119.02 2noc h ASP 63 Ca 0.26 -0.10 -0.02 0.00 -0.39 0.00 0.00 57.03 56.78 2noc h ASP 63 Cb 0.17 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 39.95 2noc h ASP 63 CO -0.18 0.66 0.39 -0.33 -1.61 0.00 0.00 179.24 178.17 2noc h GLU 64 N 0.85 1.04 0.00 0.28 5.08 0.03 -2.23 114.58 119.63 2noc h GLU 64 Ca 0.22 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 2noc h GLU 64 Cb 0.06 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2noc h GLU 64 CO -0.03 0.78 -0.45 -0.22 -1.00 0.00 0.00 179.01 178.09 2noc h LYS 65 N 1.02 0.00 -0.94 2.33 3.64 -0.33 -3.49 116.57 118.80 2noc h LYS 65 Ca 0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2noc h LYS 65 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2noc h LYS 65 CO -0.04 0.45 0.00 0.41 -2.27 0.00 0.00 179.45 178.00 2noc n GLY 66 N 0.63 -0.84 3.21 5.01 0.00 0.32 -5.08 105.19 108.44 2noc n GLY 66 Ca 0.01 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.05 1.41 -0.15 4.61 0.00 -1.11 -4.87 121.76 121.59 2noc s ALA 67 Ca 0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 51.96 50.87 2noc s ALA 67 Cb 0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 23.12 22.72 2noc s ALA 67 CO 0.00 0.25 0.22 -0.40 0.00 0.00 0.00 175.76 175.83 2noc n ASP 68 N 1.30 1.94 -4.18 0.00 5.75 0.23 -2.93 116.55 118.65 2noc n ASP 68 Ca -0.20 0.12 -0.24 0.00 -0.01 0.00 0.00 54.79 54.46 2noc n ASP 68 Cb 0.54 -0.63 -0.15 0.00 -1.03 0.00 0.00 41.12 39.85 2noc n ASP 68 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2noc s VAL 69 N -2.55 1.42 0.02 2.12 1.01 -0.95 -0.15 120.40 121.31 2noc s VAL 69 Ca -0.24 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 60.95 2noc s VAL 69 Cb 0.07 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 2noc s VAL 69 CO 0.73 0.31 -0.25 -0.69 0.00 0.00 0.00 175.10 175.19 2noc s VAL 70 N -0.55 2.19 -0.22 2.92 1.01 -1.08 -0.57 120.40 124.11 2noc s VAL 70 Ca 0.06 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 60.80 2noc s VAL 70 Cb -0.07 -1.82 0.05 0.00 0.00 0.00 0.00 36.38 34.53 2noc s VAL 70 CO 0.00 0.44 -0.11 -0.69 0.00 0.00 0.00 175.10 174.75 2noc s VAL 71 N -0.75 1.79 -0.84 2.92 1.01 -0.03 -4.46 120.40 120.04 2noc s VAL 71 Ca 0.11 -1.18 -0.23 0.00 0.00 0.00 0.00 61.98 60.69 2noc s VAL 71 Cb -0.10 -1.87 0.07 0.00 0.00 0.00 0.00 36.38 34.48 2noc s VAL 71 CO 0.01 0.12 1.22 -0.76 0.00 0.00 0.00 175.10 175.69 2noc s LEU 72 N 1.32 3.96 0.00 3.92 1.43 -1.26 -0.86 118.68 127.19 2noc s LEU 72 Ca -0.03 -1.21 0.26 0.00 -1.03 0.00 0.00 54.13 52.11 2noc s LEU 72 Cb -0.17 -2.49 0.98 0.00 0.03 0.00 0.00 46.19 44.53 2noc s LEU 72 CO -0.08 -1.48 1.69 0.35 0.23 0.00 0.00 176.35 177.07 2noc n THR 73 N 6.23 0.07 -1.65 5.49 -2.24 -0.81 -4.97 114.28 116.41 2noc n THR 73 Ca 0.14 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 2noc n THR 73 Cb 0.49 0.41 0.02 0.00 -2.10 0.00 0.00 70.33 69.15 2noc n THR 73 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2noc n SER 74 N 0.18 1.66 -4.44 3.42 7.64 0.64 -4.61 113.62 118.11 2noc n SER 74 Ca 0.18 1.02 -0.44 0.00 1.01 0.00 0.00 58.87 60.64 2noc n SER 74 Cb 0.33 -1.41 -0.02 0.00 -1.01 0.00 0.00 64.21 62.10 2noc n SER 74 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2noc s GLY 75 N -0.75 2.16 -1.28 0.23 0.00 -0.67 -4.87 107.32 102.14 2noc s GLY 75 Ca 0.65 -2.99 -0.16 0.00 0.00 0.00 0.00 44.72 42.21 2noc s GLY 75 CO 0.55 1.92 1.69 -0.18 0.00 0.00 0.00 173.10 177.08 2noc n GLN 76 N 5.95 3.24 0.00 2.90 7.27 -1.26 -3.70 117.38 131.78 2noc n GLN 76 Ca 0.26 -3.41 0.00 0.00 0.07 0.00 0.00 57.00 53.92 2noc n GLN 76 Cb 0.47 -3.34 0.00 0.00 2.41 0.00 0.00 30.24 29.78 2noc n GLN 76 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2noc n THR 77 N 5.71 0.00 0.00 1.69 -1.04 -1.26 -5.07 114.28 114.31 2noc n THR 77 Ca 0.45 0.67 0.00 0.00 -2.04 0.00 0.00 64.05 63.13 2noc n THR 77 Cb 0.44 -1.32 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 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 -0.71 0.00 -0.07 -2.82 2.13 -1.26 -5.00 120.64 112.91 2noc n GLU 78 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 2noc n GLU 78 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 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 0.05 -3.26 4.31 -0.00 -1.95 -3.00 115.58 111.73 2noc h ASN 79 Ca 0.00 -0.80 -0.59 0.00 -0.00 0.00 0.00 56.30 54.92 2noc h ASN 79 Cb 0.00 -0.02 -0.09 0.00 -0.00 0.00 0.00 38.32 38.21 2noc h ASN 79 CO 0.00 1.26 -0.25 -1.59 -0.00 0.00 0.00 177.43 176.85 2noc s LYS 80 N -2.31 4.24 -0.19 6.67 -2.85 -1.26 -1.25 119.74 122.79 2noc s LYS 80 Ca -0.23 0.25 -0.14 0.00 -1.00 0.00 0.00 55.97 54.86 2noc s LYS 80 Cb 0.01 -3.40 0.05 0.00 -2.06 0.00 0.00 37.83 32.43 2noc s LYS 80 CO 0.67 0.27 0.48 0.96 0.10 0.00 0.00 175.35 177.82 2noc s ILE 81 N 0.33 -0.01 -0.98 3.79 -4.36 -1.26 -4.22 121.20 114.50 2noc s ILE 81 Ca 0.21 0.03 -0.14 0.00 -0.26 0.00 0.00 60.65 60.49 2noc s ILE 81 Cb -0.14 -0.69 0.20 0.00 1.25 0.00 0.00 42.46 43.08 2noc s ILE 81 CO 0.07 0.01 1.06 -2.28 0.24 0.00 0.00 174.94 174.04 2noc s HIS 82 N 0.83 3.63 0.23 1.37 5.65 -1.24 -4.10 115.29 121.65 2noc s HIS 82 Ca -0.05 -1.98 -0.24 0.00 0.25 0.00 0.00 55.06 53.05 2noc s HIS 82 Cb -0.05 -4.05 -0.09 0.00 -1.18 0.00 0.00 32.58 27.21 2noc s HIS 82 CO -0.07 -1.20 0.81 0.20 -0.65 0.00 0.00 174.74 173.84 2noc s GLY 83 N 2.55 2.80 -0.01 1.59 0.00 0.47 -1.66 107.32 113.05 2noc s GLY 83 Ca 0.29 0.35 -0.23 0.00 0.00 0.00 0.00 44.72 45.13 2noc s GLY 83 CO -0.07 0.80 0.50 -1.59 0.00 0.00 0.00 173.10 172.74 2noc s THR 84 N -1.40 0.03 -0.23 0.90 2.01 -1.26 -0.72 115.64 114.97 2noc s THR 84 Ca 0.42 -0.24 -0.15 0.00 0.31 0.00 0.00 61.69 62.04 2noc s THR 84 Cb -0.20 -0.86 0.07 0.00 0.01 0.00 0.00 72.50 71.52 2noc s THR 84 CO 0.24 -0.13 0.57 0.00 -0.69 0.00 0.00 174.62 174.61 2noc s ALA 85 N -1.54 -1.49 -0.28 7.40 0.00 0.53 -0.26 121.76 126.12 2noc s ALA 85 Ca -0.11 1.92 -0.07 0.00 0.00 0.00 0.00 51.96 53.71 2noc s ALA 85 Cb -0.02 -1.14 -0.00 0.00 0.00 0.00 0.00 23.12 21.96 2noc s ALA 85 CO 0.05 -0.31 0.07 0.16 0.00 0.00 0.00 175.76 175.73 2noc s ASP 86 N 1.22 5.08 0.12 0.00 -4.77 -0.04 -0.55 116.67 117.74 2noc s ASP 86 Ca -0.07 -0.54 0.04 0.00 -3.30 0.00 0.00 52.55 48.68 2noc s ASP 86 Cb -0.06 -1.89 -0.04 0.00 -1.09 0.00 0.00 42.92 39.84 2noc s ASP 86 CO -0.12 -0.14 0.12 0.27 0.70 0.00 0.00 175.17 176.00 2noc s ILE 87 N 1.54 4.54 0.10 2.11 -4.36 -1.22 -0.85 121.20 123.06 2noc s ILE 87 Ca 0.04 -0.92 0.01 0.00 -0.26 0.00 0.00 60.65 59.52 2noc s ILE 87 Cb -0.16 -3.26 -0.04 0.00 1.25 0.00 0.00 42.46 40.24 2noc s ILE 87 CO 0.02 0.00 -0.05 -0.31 0.24 0.00 0.00 174.94 174.85 2noc s TYR 88 N -1.58 0.85 0.17 1.37 1.51 0.27 -3.73 117.35 116.21 2noc s TYR 88 Ca 0.30 -0.97 0.06 0.00 -1.01 0.00 0.00 57.07 55.46 2noc s TYR 88 Cb -0.11 -0.51 -0.04 0.00 -0.11 0.00 0.00 41.96 41.19 2noc s TYR 88 CO 0.23 -0.22 -0.13 0.15 -1.11 0.00 0.00 175.55 174.47 2noc s LYS 89 N -3.87 1.18 0.63 -0.62 -0.14 0.10 -0.60 119.74 116.42 2noc s LYS 89 Ca 0.13 -1.47 -0.18 0.00 -1.36 0.00 0.00 55.97 53.09 2noc s LYS 89 Cb 0.06 -0.93 -0.02 0.00 -1.68 0.00 0.00 37.83 35.26 2noc s LYS 89 CO -0.04 0.15 1.22 0.15 -0.76 0.00 0.00 175.35 176.07 2noc s LYS 90 N -3.46 2.76 1.03 1.68 3.01 -1.26 0.44 119.74 123.94 2noc s LYS 90 Ca 0.18 1.84 -0.16 0.00 -1.01 0.00 0.00 55.97 56.82 2noc s LYS 90 Cb -0.01 -1.90 0.21 0.00 -1.01 0.00 0.00 37.83 35.12 2noc s LYS 90 CO 0.04 -1.38 1.19 0.15 0.51 0.00 0.00 175.35 175.86 2noc s LYS 91 N -3.46 0.16 0.26 1.68 1.02 0.09 -4.55 119.74 114.94 2noc s LYS 91 Ca 0.77 -0.06 0.19 0.00 0.02 0.00 0.00 55.97 56.90 2noc s LYS 91 Cb -0.31 -1.76 0.08 0.00 -0.52 0.00 0.00 37.83 35.32 2noc s LYS 91 CO 0.36 -2.79 1.28 1.37 -0.92 0.00 0.00 175.35 174.65 2noc h LEU 92 N -1.92 0.00 -8.76 3.17 -0.00 -1.96 -3.43 115.31 102.42 2noc h LEU 92 Ca -0.47 0.00 -0.59 0.00 -0.00 0.00 0.00 57.88 56.83 2noc h LEU 92 Cb 1.29 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.86 2noc h LEU 92 CO 0.45 0.28 0.69 -0.70 -0.00 0.00 0.00 178.44 179.15 2noc s GLU 93 N -3.10 3.72 -0.06 0.17 2.12 -1.26 -4.79 118.70 115.50 2noc s GLU 93 Ca 0.02 0.46 0.01 0.00 0.36 0.00 0.00 54.97 55.83 2noc s GLU 93 Cb 0.08 -3.87 -0.04 0.00 0.26 0.00 0.00 34.13 30.56 2noc s GLU 93 CO 0.75 -1.14 -0.04 0.72 -0.54 0.00 0.00 175.26 175.01 2noc n HIS 94 N 7.17 0.00 -3.02 5.30 8.25 -1.26 -5.04 115.22 126.61 2noc n HIS 94 Ca 0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.42 2noc n HIS 94 Cb 0.48 -0.23 0.01 0.00 1.12 0.00 0.00 29.99 31.38 2noc n HIS 94 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2noc n HIS 95 N -2.58 -2.92 -1.82 4.41 -0.00 -1.26 -4.67 115.22 106.37 2noc n HIS 95 Ca -0.10 1.23 -0.42 0.00 -0.00 0.00 0.00 57.72 58.42 2noc n HIS 95 Cb 0.62 -3.08 -0.03 0.00 -0.00 0.00 0.00 29.99 27.50 2noc n HIS 95 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2noc s HIS 96 N -1.86 1.51 -0.31 1.57 2.46 -1.26 -4.87 115.29 112.53 2noc s HIS 96 Ca 0.18 0.64 -0.26 0.00 0.47 0.00 0.00 55.06 56.09 2noc s HIS 96 Cb -0.03 -4.02 0.01 0.00 -0.13 0.00 0.00 32.58 28.40 2noc s HIS 96 CO 0.68 -3.35 0.91 -1.58 -2.47 0.00 0.00 174.74 168.93 2noc s HIS 97 N 7.79 3.18 0.28 3.88 2.46 -1.26 -5.04 115.29 126.58 2noc s HIS 97 Ca 0.88 0.96 0.12 0.00 0.47 0.00 0.00 55.06 57.49 2noc s HIS 97 Cb -0.26 -3.42 -0.05 0.00 -0.13 0.00 0.00 32.58 28.72 2noc s HIS 97 CO 0.33 -0.66 -0.17 -3.38 -2.47 0.00 0.00 174.74 168.40 2noc s HIS 98 N 3.25 2.35 -1.58 3.88 -3.43 -1.26 -5.05 115.29 113.45 2noc s HIS 98 Ca 0.38 -0.32 0.13 0.00 -0.80 0.00 0.00 55.06 54.44 2noc s HIS 98 Cb -0.13 -1.03 0.10 0.00 -1.43 0.00 0.00 32.58 30.09 2noc s HIS 98 CO 0.14 0.70 0.90 1.58 -2.00 0.00 0.00 174.74 176.06