#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 3.39 -0.26 2.12 1.02 -1.26 -4.93 119.74 119.82 2noc s LYS 2 Ca 0.00 1.83 -0.26 0.00 0.02 0.00 0.00 55.97 57.56 2noc s LYS 2 Cb 0.00 -4.24 0.10 0.00 -0.52 0.00 0.00 37.83 33.16 2noc s LYS 2 CO 0.00 -1.80 0.87 -0.08 -0.92 0.00 0.00 175.35 173.42 2noc s THR 3 N 7.02 0.00 -0.30 2.17 -1.32 -1.26 -5.15 115.64 116.80 2noc s THR 3 Ca 0.88 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 61.37 2noc s THR 3 Cb -0.29 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 69.89 2noc s THR 3 CO 0.34 0.00 0.65 -0.83 -2.21 0.00 0.00 174.62 172.57 2noc s GLY 4 N 0.15 -1.07 0.15 6.08 0.00 -1.26 -5.16 107.32 106.21 2noc s GLY 4 Ca 0.01 1.59 0.08 0.00 0.00 0.00 0.00 44.72 46.40 2noc s GLY 4 CO -0.02 3.58 -0.12 -2.52 0.00 0.00 0.00 173.10 174.03 2noc s TYR 5 N 2.86 2.63 -0.26 1.90 1.13 -1.26 -5.12 117.35 119.24 2noc s TYR 5 Ca 0.15 -0.22 -0.02 0.00 -1.41 0.00 0.00 57.07 55.58 2noc s TYR 5 Cb -0.12 -1.34 0.14 0.00 -1.10 0.00 0.00 41.96 39.55 2noc s TYR 5 CO -0.23 0.46 0.41 -1.59 -2.51 0.00 0.00 175.55 172.09 2noc s LYS 6 N -2.50 0.38 -0.43 -3.49 -2.85 -1.26 -5.09 119.74 104.51 2noc s LYS 6 Ca 0.22 0.52 0.02 0.00 -1.00 0.00 0.00 55.97 55.74 2noc s LYS 6 Cb -0.10 -0.34 0.15 0.00 -2.06 0.00 0.00 37.83 35.48 2noc s LYS 6 CO 0.14 -0.70 0.29 0.54 0.10 0.00 0.00 175.35 175.71 2noc s VAL 7 N 2.58 0.86 -0.41 1.79 0.11 -1.26 -5.02 120.40 119.05 2noc s VAL 7 Ca 0.13 -2.51 0.02 0.00 -2.93 0.00 0.00 61.98 56.70 2noc s VAL 7 Cb -0.15 -1.60 0.15 0.00 -1.53 0.00 0.00 36.38 33.25 2noc s VAL 7 CO -0.19 -1.04 0.28 -0.04 -3.33 0.00 0.00 175.10 170.78 2noc s MET 8 N 0.30 0.94 0.17 1.54 -1.94 -1.26 -5.12 119.30 113.94 2noc s MET 8 Ca 0.23 -1.85 0.04 0.00 -1.71 0.00 0.00 55.69 52.40 2noc s MET 8 Cb -0.14 -1.70 -0.01 0.00 2.01 0.00 0.00 34.83 34.99 2noc s MET 8 CO -0.07 -1.26 0.13 1.47 -0.01 0.00 0.00 175.02 175.28 2noc n LEU 9 N 3.43 0.00 0.00 -0.03 -0.00 -1.26 -4.93 117.00 114.21 2noc n LEU 9 Ca 0.17 -1.61 0.00 0.00 -0.00 0.00 0.00 56.01 54.58 2noc n LEU 9 Cb 0.40 0.81 0.00 0.00 -0.00 0.00 0.00 43.42 44.62 2noc n LEU 9 CO 0.15 -0.26 0.00 0.61 -0.00 0.00 0.00 177.39 177.89 2noc n GLY 10 N -0.18 0.97 3.15 1.47 0.00 -1.26 -5.07 105.19 104.26 2noc n GLY 10 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 2.81 -0.16 4.61 0.00 -1.26 -5.08 121.76 120.68 2noc s ALA 11 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.10 2noc s ALA 11 Cb 0.00 -1.93 -0.00 0.00 0.00 0.00 0.00 23.12 21.19 2noc s ALA 11 CO 0.00 -1.32 -0.15 -0.51 0.00 0.00 0.00 175.76 173.78 2noc s LEU 12 N 1.21 2.50 -0.98 0.00 1.02 -1.26 -5.06 118.68 116.10 2noc s LEU 12 Ca -0.04 -0.47 -0.20 0.00 0.02 0.00 0.00 54.13 53.44 2noc s LEU 12 Cb -0.20 -1.57 0.10 0.00 0.02 0.00 0.00 46.19 44.54 2noc s LEU 12 CO -0.02 0.08 1.28 0.00 0.02 0.00 0.00 176.35 177.71 2noc s ALA 13 N 0.86 3.13 -0.52 4.21 0.00 -1.26 -4.76 121.76 123.42 2noc s ALA 13 Ca -0.04 -2.59 0.24 0.00 0.00 0.00 0.00 51.96 49.56 2noc s ALA 13 Cb -0.15 -4.26 0.27 0.00 0.00 0.00 0.00 23.12 18.98 2noc s ALA 13 CO -0.01 -3.23 1.28 0.35 0.00 0.00 0.00 175.76 174.15 2noc h PHE 14 N 9.13 0.00 -4.23 0.00 3.57 -2.05 -3.46 116.94 119.90 2noc h PHE 14 Ca 0.19 0.00 -0.52 0.00 3.53 0.00 0.00 57.97 61.16 2noc h PHE 14 Cb 1.01 0.00 -0.28 0.00 2.79 0.00 0.00 35.95 39.47 2noc h PHE 14 CO 1.22 0.00 -0.82 0.54 -2.23 0.00 0.00 178.31 177.01 2noc s VAL 15 N -3.22 1.33 0.01 1.41 0.11 -1.26 -5.14 120.40 113.64 2noc s VAL 15 Ca 0.05 -0.82 0.05 0.00 -2.93 0.00 0.00 61.98 58.32 2noc s VAL 15 Cb 0.12 -1.13 -0.02 0.00 -1.53 0.00 0.00 36.38 33.82 2noc s VAL 15 CO 0.73 0.29 -0.14 0.54 -3.33 0.00 0.00 175.10 173.19 2noc s VAL 16 N -0.51 1.12 -0.18 2.04 0.11 -1.26 -5.14 120.40 116.58 2noc s VAL 16 Ca 0.06 -0.80 -0.03 0.00 -2.93 0.00 0.00 61.98 58.28 2noc s VAL 16 Cb -0.07 -0.98 -0.02 0.00 -1.53 0.00 0.00 36.38 33.79 2noc s VAL 16 CO -0.00 0.17 -0.07 0.28 -3.33 0.00 0.00 175.10 172.15 2noc s THR 17 N -0.58 3.44 -0.28 5.04 -1.32 -1.26 -5.08 115.64 115.60 2noc s THR 17 Ca 0.04 -0.50 -0.24 0.00 -1.21 0.00 0.00 61.69 59.78 2noc s THR 17 Cb -0.07 -2.52 -0.00 0.00 -1.51 0.00 0.00 72.50 68.41 2noc s THR 17 CO 0.00 0.47 0.81 0.20 -2.21 0.00 0.00 174.62 173.89 2noc s ASN 18 N 0.82 6.73 -0.13 8.08 -0.87 -1.26 -5.02 114.94 123.29 2noc s ASN 18 Ca -0.02 0.82 -0.05 0.00 -1.57 0.00 0.00 52.86 52.04 2noc s ASN 18 Cb -0.15 -2.42 0.07 0.00 -0.02 0.00 0.00 41.25 38.73 2noc s ASN 18 CO 0.01 -0.58 0.25 0.54 -2.57 0.00 0.00 177.10 174.76 2noc s VAL 19 N 2.92 -0.40 0.02 1.60 0.11 -1.26 -5.14 120.40 118.24 2noc s VAL 19 Ca 0.33 0.25 0.06 0.00 -2.93 0.00 0.00 61.98 59.69 2noc s VAL 19 Cb -0.15 -0.46 -0.02 0.00 -1.53 0.00 0.00 36.38 34.23 2noc s VAL 19 CO 0.10 0.09 -0.18 -0.31 -3.33 0.00 0.00 175.10 171.47 2noc s TYR 20 N 2.41 1.57 0.17 1.54 1.51 -1.26 -4.87 117.35 118.42 2noc s TYR 20 Ca 0.02 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 2noc s TYR 20 Cb -0.12 -0.97 0.00 0.00 -0.11 0.00 0.00 41.96 40.75 2noc s TYR 20 CO -0.09 0.02 0.00 0.00 -1.11 0.00 0.00 175.55 174.38 2noc n ALA 21 N 2.24 0.00 -2.75 3.71 0.00 -1.25 -5.09 120.51 117.37 2noc n ALA 21 Ca -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.28 2noc n ALA 21 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.75 -3.40 -2.32 0.00 0.00 -0.86 -4.91 120.51 106.27 2noc n ALA 22 Ca 0.00 0.49 -0.17 0.00 0.00 0.00 0.00 53.44 53.76 2noc n ALA 22 Cb 0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.58 1.27 0.24 0.00 2.12 0.13 -4.84 118.70 116.04 2noc s GLU 23 Ca -0.00 -1.59 -0.23 0.00 0.36 0.00 0.00 54.97 53.51 2noc s GLU 23 Cb 0.00 -0.84 -0.09 0.00 0.26 0.00 0.00 34.13 33.46 2noc s GLU 23 CO 0.73 0.07 0.81 0.42 -0.54 0.00 0.00 175.26 176.75 2noc s ILE 24 N -3.20 4.40 -0.04 -3.70 -1.09 -1.26 -0.41 121.20 115.91 2noc s ILE 24 Ca 0.23 1.56 0.06 0.00 -2.23 0.00 0.00 60.65 60.27 2noc s ILE 24 Cb 0.02 -3.98 -0.01 0.00 -1.58 0.00 0.00 42.46 36.91 2noc s ILE 24 CO 0.06 0.27 -0.22 -0.32 -1.23 0.00 0.00 174.94 173.50 2noc s MET 25 N -1.79 2.06 0.57 2.79 1.75 -1.26 -4.94 119.30 118.48 2noc s MET 25 Ca 0.43 -0.78 -0.21 0.00 -1.25 0.00 0.00 55.69 53.89 2noc s MET 25 Cb -0.19 -1.84 -0.04 0.00 2.84 0.00 0.00 34.83 35.60 2noc s MET 25 CO 0.23 0.38 1.26 1.63 -0.65 0.00 0.00 175.02 177.87 2noc n LYS 26 N 2.85 1.42 -0.19 4.11 5.02 -1.26 -4.67 118.16 125.44 2noc n LYS 26 Ca -0.17 0.53 -0.01 0.00 -2.02 0.00 0.00 58.31 56.64 2noc n LYS 26 Cb 0.52 -2.47 0.09 0.00 -0.02 0.00 0.00 35.03 33.15 2noc n LYS 26 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2noc h LYS 27 N 1.08 0.43 -0.50 1.97 6.56 -2.00 0.89 116.57 125.02 2noc h LYS 27 Ca -0.50 -0.03 -0.10 0.00 -1.06 0.00 0.00 60.65 58.96 2noc h LYS 27 Cb 1.32 -0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 32.87 2noc h LYS 27 CO 0.55 0.29 -0.10 1.15 -2.06 0.00 0.00 179.45 179.28 2noc h THR 28 N 0.45 1.26 -0.16 -0.16 2.02 -2.00 -0.41 112.91 113.91 2noc h THR 28 Ca 0.28 -1.22 -0.20 0.00 0.77 0.00 0.00 66.41 66.05 2noc h THR 28 Cb 0.30 0.99 0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2noc h THR 28 CO -0.26 0.42 -0.67 0.44 0.37 0.00 0.00 175.52 175.82 2noc h ASP 29 N 0.82 0.86 -0.31 4.18 5.19 -1.73 -3.01 116.42 122.42 2noc h ASP 29 Ca 0.13 -0.62 0.05 0.00 -0.62 0.00 0.00 57.03 55.98 2noc h ASP 29 Cb 0.63 -0.25 -0.05 0.00 0.18 0.00 0.00 39.33 39.84 2noc h ASP 29 CO 0.04 1.34 0.02 0.15 -3.12 0.00 0.00 179.24 177.67 2noc h PHE 30 N 0.44 0.02 -0.27 4.55 3.57 0.10 0.51 116.94 125.86 2noc h PHE 30 Ca -0.04 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2noc h PHE 30 Cb 1.30 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 2noc h PHE 30 CO 0.09 -0.03 0.16 0.22 -2.23 0.00 0.00 178.31 176.53 2noc h ASP 31 N 0.12 0.32 0.68 0.41 3.58 -1.12 0.30 116.42 120.70 2noc h ASP 31 Ca 0.15 -0.01 -0.26 0.00 0.42 0.00 0.00 57.03 57.32 2noc h ASP 31 Cb 0.19 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2noc h ASP 31 CO -0.24 0.25 -1.34 0.11 -2.88 0.00 0.00 179.24 175.14 2noc h LYS 32 N 0.37 0.11 0.00 0.28 6.56 -1.14 -3.25 116.57 119.51 2noc h LYS 32 Ca 0.10 -0.19 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 2noc h LYS 32 Cb -0.01 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.72 2noc h LYS 32 CO -0.02 0.96 -0.37 1.33 -2.06 0.00 0.00 179.45 179.30 2noc n VAL 33 N -3.35 0.39 0.23 0.50 0.24 0.17 -3.36 118.33 113.16 2noc n VAL 33 Ca -0.10 -0.24 0.14 0.00 -2.04 0.00 0.00 64.34 62.10 2noc n VAL 33 Cb 1.00 -0.28 0.79 0.00 -1.47 0.00 0.00 33.84 33.89 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 2.58 1.83 -0.48 2.33 0.00 -0.45 0.14 119.26 125.21 2noc h ALA 34 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2noc h ALA 34 Cb 0.71 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2noc h ALA 34 CO 0.00 -0.15 -0.07 1.03 0.00 0.00 0.00 179.25 180.07 2noc h SER 35 N 0.00 0.82 -0.53 0.00 0.87 -1.71 -3.02 113.55 109.98 2noc h SER 35 Ca 0.05 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2noc h SER 35 Cb 0.24 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2noc h SER 35 CO -0.00 0.92 0.00 -0.62 -0.53 0.00 0.00 176.83 176.60 2noc n GLU 36 N -4.18 4.30 -4.32 2.24 1.02 0.36 -4.96 120.64 115.10 2noc n GLU 36 Ca 0.02 -3.04 -0.17 0.00 -0.02 0.00 0.00 57.16 53.95 2noc n GLU 36 Cb 0.35 -2.10 -0.10 0.00 -0.02 0.00 0.00 31.44 29.56 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 -2.55 1.54 0.10 -0.32 1.51 -0.36 -1.76 117.35 115.51 2noc s TYR 37 Ca 0.51 -1.04 0.05 0.00 -1.01 0.00 0.00 57.07 55.59 2noc s TYR 37 Cb 0.38 -0.91 -0.03 0.00 -0.11 0.00 0.00 41.96 41.29 2noc s TYR 37 CO 0.17 -0.17 -0.14 0.99 -1.11 0.00 0.00 175.55 175.28 2noc s THR 38 N -3.57 1.22 -0.23 -0.71 2.01 0.21 -4.80 115.64 109.78 2noc s THR 38 Ca 0.32 -1.54 -0.17 0.00 0.31 0.00 0.00 61.69 60.61 2noc s THR 38 Cb 0.07 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 2noc s THR 38 CO 0.11 -0.35 0.47 -0.75 -0.69 0.00 0.00 174.62 173.40 2noc s LYS 39 N -2.30 4.13 0.00 4.92 2.47 -1.26 -0.18 119.74 127.51 2noc s LYS 39 Ca 0.04 0.28 0.10 0.00 -1.56 0.00 0.00 55.97 54.83 2noc s LYS 39 Cb -0.07 -3.59 0.03 0.00 -1.46 0.00 0.00 37.83 32.74 2noc s LYS 39 CO 0.02 -0.20 0.70 0.44 0.16 0.00 0.00 175.35 176.48 2noc n ILE 40 N 4.74 0.00 0.00 5.43 -5.35 -1.25 -4.96 119.36 117.97 2noc n ILE 40 Ca -0.06 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 2noc n ILE 40 Cb 0.50 1.15 0.00 0.00 -1.74 0.00 0.00 39.64 39.56 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 0.78 2.72 3.79 3.28 0.00 -1.26 -5.07 105.19 109.43 2noc n GLY 41 Ca 0.05 -2.04 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 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 4.56 0.30 2.61 2.01 -1.26 -3.01 115.64 118.85 2noc s THR 42 Ca 0.00 -0.84 0.08 0.00 0.31 0.00 0.00 61.69 61.25 2noc s THR 42 Cb 0.00 -3.24 -0.06 0.00 0.01 0.00 0.00 72.50 69.21 2noc s THR 42 CO 0.00 0.06 -0.09 0.27 -0.69 0.00 0.00 174.62 174.17 2noc s ILE 43 N -1.50 1.95 0.34 1.82 -4.36 0.97 -4.98 121.20 115.45 2noc s ILE 43 Ca 0.30 -2.19 -0.16 0.00 -0.26 0.00 0.00 60.65 58.34 2noc s ILE 43 Cb -0.12 -2.48 0.04 0.00 1.25 0.00 0.00 42.46 41.15 2noc s ILE 43 CO 0.23 -0.30 0.72 -0.94 0.24 0.00 0.00 174.94 174.89 2noc s SER 44 N -3.50 0.01 0.17 4.36 1.04 -1.26 -0.69 113.70 113.83 2noc s SER 44 Ca 0.30 -1.02 -0.23 0.00 0.48 0.00 0.00 55.95 55.48 2noc s SER 44 Cb 0.02 0.78 0.06 0.00 0.10 0.00 0.00 66.02 66.99 2noc s SER 44 CO 0.14 -1.52 0.68 0.28 0.98 0.00 0.00 173.24 173.80 2noc s THR 45 N -2.94 0.00 -0.09 2.02 -1.32 0.71 -4.92 115.64 109.09 2noc s THR 45 Ca 0.16 -0.27 -0.15 0.00 -1.21 0.00 0.00 61.69 60.22 2noc s THR 45 Cb -0.05 -1.29 0.03 0.00 -1.51 0.00 0.00 72.50 69.69 2noc s THR 45 CO 0.11 0.00 0.38 -0.89 -2.21 0.00 0.00 174.62 172.01 2noc s THR 46 N -3.68 0.02 0.00 5.08 2.01 -1.26 -1.15 115.64 116.65 2noc s THR 46 Ca 0.04 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.87 2noc s THR 46 Cb -0.02 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 71.89 2noc s THR 46 CO -0.07 -0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.38 2noc n GLY 47 N 2.17 -0.50 2.70 4.40 0.00 -1.26 -4.97 105.19 107.74 2noc n GLY 47 Ca -0.17 0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 1.43 -0.37 1.61 0.28 -1.26 -4.57 120.64 117.77 2noc n GLU 48 Ca 0.00 -1.69 0.00 0.00 -0.16 0.00 0.00 57.16 55.31 2noc n GLU 48 Cb 0.00 0.01 0.00 0.00 1.43 0.00 0.00 31.44 32.88 2noc n GLU 48 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2noc n MET 49 N -1.34 0.57 -3.88 3.44 0.00 -1.20 -4.89 117.12 109.82 2noc n MET 49 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.26 2noc n MET 49 Cb 0.86 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 34.04 2noc n MET 49 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2noc s SER 50 N -1.00 6.38 0.20 7.83 0.01 -1.26 -4.35 113.70 121.51 2noc s SER 50 Ca 0.00 0.33 -0.11 0.00 1.31 0.00 0.00 55.95 57.48 2noc s SER 50 Cb 0.00 -1.99 0.25 0.00 0.21 0.00 0.00 66.02 64.49 2noc s SER 50 CO 0.00 0.17 1.73 1.55 0.41 0.00 0.00 173.24 177.10 2noc h PRO 51 N 3.20 0.33 -0.02 12.44 0.13 -1.94 0.31 132.00 146.44 2noc h PRO 51 Ca -0.46 -0.02 -0.20 0.00 -0.87 0.00 0.00 66.00 64.45 2noc h PRO 51 Cb 1.17 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2noc h PRO 51 CO 0.74 0.22 -0.85 -0.07 -0.23 0.00 0.00 178.00 177.80 2noc h LEU 52 N 0.34 0.39 -0.27 1.56 4.07 -1.95 -2.54 115.31 116.90 2noc h LEU 52 Ca 0.29 -0.29 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 2noc h LEU 52 Cb 0.37 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 2noc h LEU 52 CO -0.32 1.07 0.05 -0.78 -1.08 0.00 0.00 178.44 177.39 2noc h ASP 53 N 0.18 0.42 0.22 -0.43 3.58 -1.73 -1.24 116.42 117.42 2noc h ASP 53 Ca -0.05 -0.25 -0.07 0.00 0.42 0.00 0.00 57.03 57.08 2noc h ASP 53 Cb 1.47 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.39 2noc h ASP 53 CO 0.14 0.56 -0.29 0.00 -2.88 0.00 0.00 179.24 176.77 2noc h ALA 54 N 0.87 1.40 -0.14 -0.78 0.00 -0.46 -1.76 119.26 118.39 2noc h ALA 54 Ca 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2noc h ALA 54 Cb 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2noc h ALA 54 CO 0.00 0.43 0.04 0.00 0.00 0.00 0.00 179.25 179.72 2noc h ARG 55 N 0.11 0.23 -0.46 0.00 3.08 -1.07 -1.06 114.38 115.21 2noc h ARG 55 Ca 0.02 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2noc h ARG 55 Cb 0.57 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 2noc h ARG 55 CO 0.04 0.38 0.17 0.93 -1.07 0.00 0.00 179.97 180.42 2noc h GLU 56 N 0.03 0.65 -0.30 0.04 4.39 -0.87 0.45 114.58 118.97 2noc h GLU 56 Ca 0.04 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 2noc h GLU 56 Cb 0.25 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2noc h GLU 56 CO 0.00 0.55 0.05 0.22 -1.16 0.00 0.00 179.01 178.67 2noc h ASP 57 N 0.65 0.48 -0.01 1.42 1.82 -1.16 -0.63 116.42 118.98 2noc h ASP 57 Ca 0.16 -0.26 -0.01 0.00 -0.39 0.00 0.00 57.03 56.53 2noc h ASP 57 Cb 0.14 -0.13 -0.00 0.00 0.68 0.00 0.00 39.33 40.03 2noc h ASP 57 CO -0.01 0.61 -0.01 -0.07 -1.61 0.00 0.00 179.24 178.15 2noc h LEU 58 N 0.32 0.03 -0.76 2.28 3.38 -0.60 -2.04 115.31 117.93 2noc h LEU 58 Ca 0.09 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 2noc h LEU 58 Cb 0.34 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2noc h LEU 58 CO 0.01 0.52 0.40 0.40 0.09 0.00 0.00 178.44 179.85 2noc h ILE 59 N -0.45 1.24 0.00 1.22 2.04 -0.14 0.45 117.51 121.86 2noc h ILE 59 Ca 0.00 -0.62 -0.14 0.00 1.00 0.00 0.00 64.86 65.11 2noc h ILE 59 Cb 0.51 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2noc h ILE 59 CO 0.00 0.27 -0.65 0.11 0.00 0.00 0.00 178.15 177.88 2noc h LYS 60 N 1.06 0.00 -0.05 2.37 1.79 -1.17 -0.39 116.57 120.19 2noc h LYS 60 Ca 0.26 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.49 2noc h LYS 60 Cb 0.07 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.73 2noc h LYS 60 CO -0.04 0.65 -0.95 0.87 -1.08 0.00 0.00 179.45 178.90 2noc h LYS 61 N 0.00 0.69 -0.61 3.15 1.57 -0.74 0.39 116.57 121.02 2noc h LYS 61 Ca -0.01 -0.68 0.06 0.00 -1.87 0.00 0.00 60.65 58.16 2noc h LYS 61 Cb 1.18 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.61 2noc h LYS 61 CO 0.08 1.27 0.32 0.00 -0.57 0.00 0.00 179.45 180.55 2noc h ALA 62 N 0.51 0.80 -0.30 3.86 0.00 -0.05 -0.35 119.26 123.73 2noc h ALA 62 Ca -0.10 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2noc h ALA 62 Cb 1.59 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 2noc h ALA 62 CO 0.19 -0.03 -0.15 0.22 0.00 0.00 0.00 179.25 179.47 2noc h ASP 63 N 0.59 0.52 0.42 0.00 3.58 -0.87 -0.93 116.42 119.74 2noc h ASP 63 Ca 0.28 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 2noc h ASP 63 Cb 0.19 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 2noc h ASP 63 CO -0.19 0.70 -0.05 -0.33 -2.88 0.00 0.00 179.24 176.49 2noc h GLU 64 N 0.49 0.00 0.00 0.28 5.08 0.46 0.48 114.58 121.37 2noc h GLU 64 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2noc h GLU 64 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2noc h GLU 64 CO 0.04 0.05 -0.49 1.17 -1.00 0.00 0.00 179.01 178.78 2noc n LYS 65 N -3.33 0.15 -0.27 2.33 3.00 -0.21 -4.94 118.16 114.89 2noc n LYS 65 Ca -0.02 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 2noc n LYS 65 Cb 0.20 -1.60 0.00 0.00 0.00 0.00 0.00 35.03 33.63 2noc n LYS 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2noc n GLY 66 N 1.41 0.85 3.75 3.14 0.00 0.16 -5.05 105.19 109.46 2noc n GLY 66 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.03 2.82 -0.26 4.61 0.00 -0.47 -4.82 121.76 121.60 2noc s ALA 67 Ca 0.00 1.29 -0.07 0.00 0.00 0.00 0.00 51.96 53.18 2noc s ALA 67 Cb 0.00 -3.55 -0.15 0.00 0.00 0.00 0.00 23.12 19.42 2noc s ALA 67 CO 0.00 -1.31 -0.26 -0.25 0.00 0.00 0.00 175.76 173.94 2noc n ASP 68 N -1.01 1.97 -4.24 0.00 8.00 0.20 -2.03 116.55 119.45 2noc n ASP 68 Ca 0.10 0.13 -0.29 0.00 0.71 0.00 0.00 54.79 55.45 2noc n ASP 68 Cb 0.45 -0.65 -0.16 0.00 -0.02 0.00 0.00 41.12 40.75 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 -2.51 1.77 0.02 2.53 1.01 -0.42 -0.69 120.40 122.11 2noc s VAL 69 Ca -0.36 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 60.75 2noc s VAL 69 Cb 0.12 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 2noc s VAL 69 CO 0.55 0.50 -0.24 0.68 0.00 0.00 0.00 175.10 176.60 2noc s VAL 70 N -0.40 1.89 -0.31 2.92 -7.23 0.46 0.01 120.40 117.74 2noc s VAL 70 Ca 0.05 -1.20 0.03 0.00 -1.81 0.00 0.00 61.98 59.06 2noc s VAL 70 Cb -0.10 -1.61 0.08 0.00 0.56 0.00 0.00 36.38 35.31 2noc s VAL 70 CO 0.00 0.37 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.45 2noc s VAL 71 N -0.71 2.32 -0.83 1.32 1.01 0.58 -4.09 120.40 120.00 2noc s VAL 71 Ca 0.09 -1.97 -0.25 0.00 0.00 0.00 0.00 61.98 59.86 2noc s VAL 71 Cb -0.09 -2.54 0.05 0.00 0.00 0.00 0.00 36.38 33.80 2noc s VAL 71 CO 0.01 -0.32 1.29 -0.76 0.00 0.00 0.00 175.10 175.32 2noc s LEU 72 N 1.02 3.51 0.05 3.92 1.43 -1.26 -0.58 118.68 126.77 2noc s LEU 72 Ca 0.01 -0.92 -0.17 0.00 -1.03 0.00 0.00 54.13 52.01 2noc s LEU 72 Cb -0.20 -2.54 -0.17 0.00 0.03 0.00 0.00 46.19 43.32 2noc s LEU 72 CO -0.06 -1.65 1.26 0.71 0.23 0.00 0.00 176.35 176.84 2noc h THR 73 N 6.26 1.36 -1.59 5.49 1.35 -1.87 -3.49 112.91 120.43 2noc h THR 73 Ca -0.10 -1.78 0.05 0.00 -0.55 0.00 0.00 66.41 64.04 2noc h THR 73 Cb 1.04 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 69.56 2noc h THR 73 CO 1.31 0.54 -0.07 -1.54 -0.25 0.00 0.00 175.52 175.51 2noc n SER 74 N -4.24 -4.62 -3.75 5.36 3.41 0.13 -4.78 113.62 105.13 2noc n SER 74 Ca -0.07 0.20 -0.29 0.00 -0.26 0.00 0.00 58.87 58.45 2noc n SER 74 Cb 0.58 -0.59 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 2noc n SER 74 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2noc s GLY 75 N -4.48 0.87 -1.06 5.00 0.00 -1.20 -4.49 107.32 101.95 2noc s GLY 75 Ca 0.00 -1.06 -0.22 0.00 0.00 0.00 0.00 44.72 43.43 2noc s GLY 75 CO 0.00 1.44 1.51 1.62 0.00 0.00 0.00 173.10 177.67 2noc s GLN 76 N 1.74 3.63 0.00 2.90 -0.44 -1.26 -4.58 119.66 121.66 2noc s GLN 76 Ca 0.02 -1.25 0.00 0.00 -2.50 0.00 0.00 55.36 51.63 2noc s GLN 76 Cb -0.17 -5.38 0.00 0.00 -1.64 0.00 0.00 33.01 25.81 2noc s GLN 76 CO -0.14 -2.24 0.00 2.41 0.50 0.00 0.00 175.29 175.82 2noc n THR 77 N 6.83 0.00 0.00 -0.34 -1.04 -1.26 -5.10 114.28 113.37 2noc n THR 77 Ca 0.36 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 2noc n THR 77 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 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 0.00 0.00 -0.13 -2.82 0.00 -1.26 -5.01 120.64 111.42 2noc n GLU 78 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 56.89 2noc n GLU 78 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.35 2noc n GLU 78 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2noc n ASN 79 N -1.46 1.89 -1.84 4.31 2.85 -1.26 -3.60 115.26 116.15 2noc n ASN 79 Ca 0.00 0.33 -0.06 0.00 -0.11 0.00 0.00 54.58 54.74 2noc n ASN 79 Cb 0.00 -0.78 -0.09 0.00 1.24 0.00 0.00 39.78 40.15 2noc n ASN 79 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2noc n LYS 80 N -4.22 1.39 -2.93 1.20 2.85 -1.26 -3.24 118.16 111.95 2noc n LYS 80 Ca -0.49 -0.50 -0.41 0.00 -1.05 0.00 0.00 58.31 55.86 2noc n LYS 80 Cb 0.84 -1.56 -0.04 0.00 -0.65 0.00 0.00 35.03 33.62 2noc n LYS 80 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 2noc s ILE 81 N 0.78 4.93 -0.70 0.58 -4.36 -1.26 -4.91 121.20 116.26 2noc s ILE 81 Ca 0.34 1.58 -0.17 0.00 -0.26 0.00 0.00 60.65 62.14 2noc s ILE 81 Cb 0.16 -4.11 0.15 0.00 1.25 0.00 0.00 42.46 39.91 2noc s ILE 81 CO 0.00 0.09 0.74 -2.28 0.24 0.00 0.00 174.94 173.74 2noc s HIS 82 N 1.74 3.30 0.38 1.37 5.65 -1.26 -3.99 115.29 122.47 2noc s HIS 82 Ca 0.38 -1.41 -0.27 0.00 0.25 0.00 0.00 55.06 54.02 2noc s HIS 82 Cb -0.17 -3.95 -0.09 0.00 -1.18 0.00 0.00 32.58 27.19 2noc s HIS 82 CO 0.15 -1.18 1.24 0.20 -0.65 0.00 0.00 174.74 174.50 2noc s GLY 83 N 3.18 2.94 -0.07 1.59 0.00 -0.30 -3.23 107.32 111.42 2noc s GLY 83 Ca 0.15 1.12 -0.09 0.00 0.00 0.00 0.00 44.72 45.90 2noc s GLY 83 CO -0.01 1.70 0.23 -0.51 0.00 0.00 0.00 173.10 174.51 2noc s THR 84 N -1.27 0.01 -0.17 0.90 -4.23 -1.26 -0.21 115.64 109.40 2noc s THR 84 Ca 0.54 -0.10 -0.11 0.00 -1.18 0.00 0.00 61.69 60.84 2noc s THR 84 Cb -0.35 -0.36 0.05 0.00 1.34 0.00 0.00 72.50 73.18 2noc s THR 84 CO 0.46 -0.05 0.43 0.00 -0.54 0.00 0.00 174.62 174.92 2noc s ALA 85 N -0.12 -1.10 -0.25 3.99 0.00 0.13 0.18 121.76 124.58 2noc s ALA 85 Ca -0.02 1.48 -0.09 0.00 0.00 0.00 0.00 51.96 53.33 2noc s ALA 85 Cb -0.02 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 2noc s ALA 85 CO 0.01 -0.25 0.12 0.34 0.00 0.00 0.00 175.76 175.98 2noc s ASP 86 N 1.04 5.59 0.17 0.00 2.15 0.26 -0.02 116.67 125.86 2noc s ASP 86 Ca -0.07 -0.08 0.09 0.00 0.43 0.00 0.00 52.55 52.92 2noc s ASP 86 Cb -0.07 -2.02 -0.04 0.00 -0.30 0.00 0.00 42.92 40.50 2noc s ASP 86 CO -0.09 -0.01 -0.12 0.27 -0.17 0.00 0.00 175.17 175.05 2noc s ILE 87 N 1.52 3.10 0.09 4.11 -4.36 -1.17 -0.31 121.20 124.19 2noc s ILE 87 Ca 0.06 -1.64 0.05 0.00 -0.26 0.00 0.00 60.65 58.86 2noc s ILE 87 Cb -0.15 -2.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.01 2noc s ILE 87 CO 0.06 -0.07 -0.13 -0.31 0.24 0.00 0.00 174.94 174.73 2noc s TYR 88 N -1.60 1.24 0.01 1.37 1.51 0.10 -3.90 117.35 116.09 2noc s TYR 88 Ca 0.23 -0.53 0.08 0.00 -1.01 0.00 0.00 57.07 55.85 2noc s TYR 88 Cb -0.09 -0.68 -0.02 0.00 -0.11 0.00 0.00 41.96 41.06 2noc s TYR 88 CO 0.14 0.07 -0.25 0.21 -1.11 0.00 0.00 175.55 174.61 2noc s LYS 89 N -2.26 1.99 0.37 -0.62 2.47 0.74 -0.63 119.74 121.81 2noc s LYS 89 Ca 0.03 -1.00 -0.27 0.00 -1.56 0.00 0.00 55.97 53.17 2noc s LYS 89 Cb -0.07 -2.04 -0.10 0.00 -1.46 0.00 0.00 37.83 34.17 2noc s LYS 89 CO 0.02 0.54 1.32 0.21 0.16 0.00 0.00 175.35 177.60 2noc s LYS 90 N -0.94 4.17 1.03 4.03 2.20 -1.26 0.68 119.74 129.65 2noc s LYS 90 Ca 0.11 2.22 -0.17 0.00 -0.36 0.00 0.00 55.97 57.77 2noc s LYS 90 Cb -0.10 -2.92 0.23 0.00 -1.51 0.00 0.00 37.83 33.53 2noc s LYS 90 CO 0.01 -0.35 1.29 0.15 -0.36 0.00 0.00 175.35 176.09 2noc s LYS 91 N -2.02 0.09 0.00 4.03 1.02 -0.72 -4.74 119.74 117.40 2noc s LYS 91 Ca 0.53 -0.39 0.30 0.00 0.02 0.00 0.00 55.97 56.43 2noc s LYS 91 Cb -0.40 -1.78 1.56 0.00 -0.52 0.00 0.00 37.83 36.69 2noc s LYS 91 CO 0.52 -2.79 2.06 1.28 -0.92 0.00 0.00 175.35 175.50 2noc n LEU 92 N -4.04 0.00 -4.55 3.17 4.77 -1.26 -4.43 117.00 110.67 2noc n LEU 92 Ca 0.15 0.24 -0.43 0.00 -0.03 0.00 0.00 56.01 55.94 2noc n LEU 92 Cb 0.59 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2noc n LEU 92 CO 0.44 -0.01 1.89 -0.62 -1.33 0.00 0.00 177.39 177.77 2noc n GLU 93 N -1.24 3.23 -3.77 3.23 -0.58 -1.26 -4.87 120.64 115.37 2noc n GLU 93 Ca 0.16 -3.37 -0.35 0.00 -0.42 0.00 0.00 57.16 53.18 2noc n GLU 93 Cb 0.21 -3.42 -0.11 0.00 -0.57 0.00 0.00 31.44 27.56 2noc n GLU 93 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 2noc s HIS 94 N 3.76 3.39 -0.23 -0.32 -3.43 -1.26 -5.05 115.29 112.14 2noc s HIS 94 Ca 0.52 -2.79 -0.03 0.00 -0.80 0.00 0.00 55.06 51.96 2noc s HIS 94 Cb 0.03 -3.12 0.01 0.00 -1.43 0.00 0.00 32.58 28.06 2noc s HIS 94 CO 0.06 -0.83 -0.05 -1.01 -2.00 0.00 0.00 174.74 170.91 2noc s HIS 95 N -0.01 2.98 0.22 0.38 3.76 -1.26 -5.01 115.29 116.35 2noc s HIS 95 Ca 0.16 -1.19 0.00 0.00 -0.15 0.00 0.00 55.06 53.88 2noc s HIS 95 Cb -0.21 -2.08 0.00 0.00 1.11 0.00 0.00 32.58 31.39 2noc s HIS 95 CO -0.03 -0.63 0.00 0.72 -0.85 0.00 0.00 174.74 173.95 2noc n HIS 96 N 4.75 -2.14 -2.71 1.40 8.25 -1.26 -4.85 115.22 118.66 2noc n HIS 96 Ca -0.18 1.08 -0.01 0.00 -0.26 0.00 0.00 57.72 58.35 2noc n HIS 96 Cb 0.49 -1.94 0.08 0.00 1.12 0.00 0.00 29.99 29.75 2noc n HIS 96 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2noc n HIS 97 N -3.07 -0.50 0.00 4.41 1.44 -1.26 -5.06 115.22 111.18 2noc n HIS 97 Ca -0.00 -1.81 0.00 0.00 -2.01 0.00 0.00 57.72 53.90 2noc n HIS 97 Cb 0.39 0.70 0.00 0.00 0.12 0.00 0.00 29.99 31.20 2noc n HIS 97 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2noc n HIS 98 N -1.02 0.00 -0.07 -1.40 8.25 -1.26 -5.33 115.22 114.39 2noc n HIS 98 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2noc n HIS 98 Cb 0.85 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.96 2noc n HIS 98 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56