#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 2.15 -2.26 0.03 5.02 -1.26 -4.94 118.16 116.90 2noc n LYS 2 Ca 0.00 -1.99 -0.43 0.00 -2.02 0.00 0.00 58.31 53.88 2noc n LYS 2 Cb 0.00 -1.42 -0.02 0.00 -0.02 0.00 0.00 35.03 33.56 2noc n LYS 2 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2noc s THR 3 N -1.45 3.92 -0.24 -0.18 2.01 -1.26 -4.98 115.64 113.46 2noc s THR 3 Ca 0.30 1.04 -0.19 0.00 0.31 0.00 0.00 61.69 63.15 2noc s THR 3 Cb 0.19 -3.90 0.07 0.00 0.01 0.00 0.00 72.50 68.87 2noc s THR 3 CO 0.27 -0.34 0.63 -0.83 -0.69 0.00 0.00 174.62 173.66 2noc s GLY 4 N 3.43 -0.51 0.06 4.40 0.00 -1.26 -5.17 107.32 108.27 2noc s GLY 4 Ca 0.64 1.96 -0.26 0.00 0.00 0.00 0.00 44.72 47.06 2noc s GLY 4 CO 0.25 1.82 0.73 -2.52 0.00 0.00 0.00 173.10 173.39 2noc s TYR 5 N 0.82 -0.47 0.02 1.90 1.13 -1.26 -5.17 117.35 114.32 2noc s TYR 5 Ca -0.04 0.38 0.05 0.00 -1.41 0.00 0.00 57.07 56.04 2noc s TYR 5 Cb -0.05 0.53 -0.02 0.00 -1.10 0.00 0.00 41.96 41.33 2noc s TYR 5 CO -0.07 -0.69 -0.14 0.15 -2.51 0.00 0.00 175.55 172.30 2noc s LYS 6 N -3.14 0.98 -0.30 -3.49 1.02 -1.26 -5.12 119.74 108.42 2noc s LYS 6 Ca 0.01 -0.64 -0.02 0.00 0.02 0.00 0.00 55.97 55.33 2noc s LYS 6 Cb -0.01 -0.97 0.05 0.00 -0.52 0.00 0.00 37.83 36.38 2noc s LYS 6 CO -0.09 0.25 0.01 0.14 -0.92 0.00 0.00 175.35 174.75 2noc s VAL 7 N -0.64 3.10 -0.18 3.17 -7.23 -1.26 -4.92 120.40 112.43 2noc s VAL 7 Ca 0.03 -1.33 0.16 0.00 -1.81 0.00 0.00 61.98 59.03 2noc s VAL 7 Cb -0.07 -2.77 0.43 0.00 0.56 0.00 0.00 36.38 34.54 2noc s VAL 7 CO 0.01 -0.10 1.32 1.15 -0.31 0.00 0.00 175.10 177.16 2noc n MET 8 N 4.65 2.05 -1.58 4.82 0.00 -1.26 -5.02 117.12 120.79 2noc n MET 8 Ca -0.13 -2.85 -0.43 0.00 0.00 0.00 0.00 57.70 54.29 2noc n MET 8 Cb 0.44 -1.70 -0.04 0.00 0.00 0.00 0.00 33.22 31.92 2noc n MET 8 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2noc n LEU 9 N -0.99 2.98 -3.51 3.17 0.00 -1.26 -4.91 117.00 112.48 2noc n LEU 9 Ca 0.21 0.11 -0.14 0.00 0.00 0.00 0.00 56.01 56.19 2noc n LEU 9 Cb 0.81 -1.53 -0.04 0.00 0.00 0.00 0.00 43.42 42.66 2noc n LEU 9 CO 0.09 -0.84 0.36 -0.83 0.00 0.00 0.00 177.39 176.18 2noc s GLY 10 N 8.86 -0.53 -0.29 -3.96 0.00 -1.26 -5.17 107.32 104.98 2noc s GLY 10 Ca 1.02 0.73 -0.27 0.00 0.00 0.00 0.00 44.72 46.21 2noc s GLY 10 CO 0.35 0.41 1.37 0.00 0.00 0.00 0.00 173.10 175.23 2noc s ALA 11 N -2.58 -2.16 -0.13 3.20 0.00 -1.26 -5.18 121.76 113.65 2noc s ALA 11 Ca -0.04 1.75 -0.13 0.00 0.00 0.00 0.00 51.96 53.54 2noc s ALA 11 Cb -0.01 -1.63 0.03 0.00 0.00 0.00 0.00 23.12 21.52 2noc s ALA 11 CO -0.03 -0.16 0.36 -0.48 0.00 0.00 0.00 175.76 175.45 2noc s LEU 12 N -0.33 0.64 -0.30 0.00 0.05 -1.26 -5.12 118.68 112.37 2noc s LEU 12 Ca 0.07 0.67 -0.05 0.00 0.05 0.00 0.00 54.13 54.88 2noc s LEU 12 Cb -0.04 1.24 0.19 0.00 -2.05 0.00 0.00 46.19 45.53 2noc s LEU 12 CO -0.12 -0.15 0.88 0.00 -0.55 0.00 0.00 176.35 176.41 2noc s ALA 13 N 0.07 -3.46 -0.10 1.48 0.00 -1.26 -5.16 121.76 113.33 2noc s ALA 13 Ca -0.01 1.20 -0.00 0.00 0.00 0.00 0.00 51.96 53.15 2noc s ALA 13 Cb -0.03 -2.75 0.02 0.00 0.00 0.00 0.00 23.12 20.37 2noc s ALA 13 CO 0.01 -2.04 -0.07 -0.59 0.00 0.00 0.00 175.76 173.06 2noc s PHE 14 N 2.80 1.41 -0.27 0.00 -0.71 -1.26 -4.97 117.98 114.98 2noc s PHE 14 Ca 0.21 -0.67 -0.11 0.00 -1.04 0.00 0.00 56.93 55.32 2noc s PHE 14 Cb -0.04 -1.18 0.02 0.00 -1.21 0.00 0.00 43.02 40.60 2noc s PHE 14 CO -0.23 -0.48 0.24 0.28 -1.34 0.00 0.00 175.22 173.70 2noc n VAL 15 N 4.84 -7.32 -4.84 -2.49 0.31 -1.26 -5.02 118.33 102.55 2noc n VAL 15 Ca -0.13 0.93 -0.33 0.00 -0.01 0.00 0.00 64.34 64.79 2noc n VAL 15 Cb 0.50 -5.18 -0.13 0.00 -0.91 0.00 0.00 33.84 28.12 2noc n VAL 15 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2noc s VAL 16 N -1.60 3.18 -0.26 2.52 -7.23 -1.26 -5.10 120.40 110.64 2noc s VAL 16 Ca 0.12 -0.68 -0.02 0.00 -1.81 0.00 0.00 61.98 59.59 2noc s VAL 16 Cb -0.02 -2.26 0.15 0.00 0.56 0.00 0.00 36.38 34.82 2noc s VAL 16 CO 0.57 0.59 0.45 0.28 -0.31 0.00 0.00 175.10 176.68 2noc s THR 17 N -0.73 -0.73 -1.04 5.32 -1.32 -1.26 -5.08 115.64 110.79 2noc s THR 17 Ca 0.11 -0.05 -0.05 0.00 -1.21 0.00 0.00 61.69 60.49 2noc s THR 17 Cb -0.11 -0.88 0.28 0.00 -1.51 0.00 0.00 72.50 70.29 2noc s THR 17 CO 0.01 -0.08 1.17 -0.46 -2.21 0.00 0.00 174.62 173.04 2noc n ASN 18 N 5.39 5.53 -4.85 8.08 0.23 -1.26 -5.03 115.26 123.35 2noc n ASN 18 Ca -0.03 -3.21 -0.35 0.00 -0.53 0.00 0.00 54.58 50.47 2noc n ASN 18 Cb 0.50 -1.25 -0.06 0.00 -2.08 0.00 0.00 39.78 36.90 2noc n ASN 18 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 2noc s VAL 19 N -1.91 4.84 0.01 3.53 -7.23 -1.26 -5.02 120.40 113.38 2noc s VAL 19 Ca 0.31 0.81 -0.26 0.00 -1.81 0.00 0.00 61.98 61.03 2noc s VAL 19 Cb -0.03 -3.72 -0.16 0.00 0.56 0.00 0.00 36.38 33.03 2noc s VAL 19 CO -0.02 0.19 1.20 0.22 -0.31 0.00 0.00 175.10 176.38 2noc h TYR 20 N 3.37 -0.64 -1.89 2.82 3.20 -2.01 -3.49 116.97 118.33 2noc h TYR 20 Ca -0.48 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 61.55 2noc h TYR 20 Cb 1.19 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 39.63 2noc h TYR 20 CO 0.64 -0.31 -0.23 0.00 -1.64 0.00 0.00 178.16 176.62 2noc n ALA 21 N -2.58 -1.65 -3.46 1.82 0.00 -1.26 -4.96 120.51 108.41 2noc n ALA 21 Ca -0.11 0.20 -0.23 0.00 0.00 0.00 0.00 53.44 53.30 2noc n ALA 21 Cb 0.32 -0.57 0.06 0.00 0.00 0.00 0.00 19.45 19.25 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 -1.22 -2.50 -2.77 0.00 0.00 0.40 -4.98 120.51 109.44 2noc n ALA 22 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.18 2noc n ALA 22 Cb 0.29 -4.89 -0.04 0.00 0.00 0.00 0.00 19.45 14.82 2noc n ALA 22 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2noc s GLU 23 N -5.18 2.96 -0.08 0.00 2.02 -0.34 -4.78 118.70 113.29 2noc s GLU 23 Ca 0.45 -1.06 -0.17 0.00 0.02 0.00 0.00 54.97 54.21 2noc s GLU 23 Cb -0.11 -2.60 -0.05 0.00 0.10 0.00 0.00 34.13 31.48 2noc s GLU 23 CO 0.80 0.34 0.44 0.42 0.02 0.00 0.00 175.26 177.27 2noc s ILE 24 N -2.15 5.14 -0.08 -1.63 -1.09 -1.26 -0.55 121.20 119.57 2noc s ILE 24 Ca 0.35 0.89 0.02 0.00 -2.23 0.00 0.00 60.65 59.68 2noc s ILE 24 Cb -0.08 -3.77 -0.02 0.00 -1.58 0.00 0.00 42.46 37.01 2noc s ILE 24 CO 0.26 0.41 -0.13 -0.04 -1.23 0.00 0.00 174.94 174.21 2noc s MET 25 N 0.06 2.87 0.75 2.79 -1.94 -1.25 -4.99 119.30 117.58 2noc s MET 25 Ca 0.24 -0.68 -0.12 0.00 -1.71 0.00 0.00 55.69 53.42 2noc s MET 25 Cb -0.15 -2.49 0.04 0.00 2.01 0.00 0.00 34.83 34.24 2noc s MET 25 CO 0.11 0.46 1.10 0.15 -0.01 0.00 0.00 175.02 176.83 2noc s LYS 26 N -0.31 2.35 0.16 2.03 1.02 -1.26 -4.73 119.74 119.01 2noc s LYS 26 Ca 0.03 1.25 -0.13 0.00 0.02 0.00 0.00 55.97 57.13 2noc s LYS 26 Cb -0.13 -1.90 0.06 0.00 -0.52 0.00 0.00 37.83 35.34 2noc s LYS 26 CO 0.03 -1.58 1.74 -0.22 -0.92 0.00 0.00 175.35 174.40 2noc h LYS 27 N -0.84 0.80 -0.62 1.68 3.64 -1.99 0.98 116.57 120.22 2noc h LYS 27 Ca -0.44 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 58.76 2noc h LYS 27 Cb 1.24 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 2noc h LYS 27 CO 0.52 0.67 0.17 1.15 -2.27 0.00 0.00 179.45 179.69 2noc h THR 28 N 0.74 1.24 0.03 1.00 2.02 -2.00 0.11 112.91 116.05 2noc h THR 28 Ca 0.19 -0.85 -0.21 0.00 0.77 0.00 0.00 66.41 66.30 2noc h THR 28 Cb 0.14 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 2noc h THR 28 CO -0.02 0.32 -0.97 -0.78 0.37 0.00 0.00 175.52 174.45 2noc h ASP 29 N 0.92 0.25 -0.04 4.18 3.58 -1.83 -3.18 116.42 120.30 2noc h ASP 29 Ca 0.20 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2noc h ASP 29 Cb 0.30 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 2noc h ASP 29 CO -0.00 1.08 0.02 0.15 -2.88 0.00 0.00 179.24 177.60 2noc h PHE 30 N 0.09 0.04 -0.10 0.28 3.57 0.18 0.51 116.94 121.51 2noc h PHE 30 Ca -0.06 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 2noc h PHE 30 Cb 1.64 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.36 2noc h PHE 30 CO 0.03 0.02 0.03 -0.44 -2.23 0.00 0.00 178.31 175.73 2noc h ASP 31 N 0.05 0.12 0.41 0.41 3.32 -0.89 0.49 116.42 120.34 2noc h ASP 31 Ca 0.02 -0.01 -0.31 0.00 0.02 0.00 0.00 57.03 56.75 2noc h ASP 31 Cb -0.00 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 39.54 2noc h ASP 31 CO -0.01 0.12 -1.41 0.11 -1.72 0.00 0.00 179.24 176.34 2noc h LYS 32 N 0.14 0.42 0.00 3.56 6.56 -1.38 -3.30 116.57 122.58 2noc h LYS 32 Ca 0.04 -0.72 0.00 0.00 -1.06 0.00 0.00 60.65 58.91 2noc h LYS 32 Cb 0.04 0.27 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 2noc h LYS 32 CO -0.00 1.34 -0.31 1.33 -2.06 0.00 0.00 179.45 179.75 2noc n VAL 33 N -3.63 0.17 0.27 0.50 0.24 0.17 -3.15 118.33 112.90 2noc n VAL 33 Ca -0.14 -0.10 0.14 0.00 -2.04 0.00 0.00 64.34 62.20 2noc n VAL 33 Cb 1.07 -0.18 0.68 0.00 -1.47 0.00 0.00 33.84 33.94 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 2.82 1.00 0.00 2.33 0.00 -0.10 0.20 119.26 125.51 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 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2noc h ALA 34 CO 0.00 0.00 -0.46 0.45 0.00 0.00 0.00 179.25 179.24 2noc n SER 35 N -2.48 0.53 0.00 0.00 2.88 -1.19 -4.07 113.62 109.29 2noc n SER 35 Ca -0.00 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2noc n SER 35 Cb 0.13 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 2noc n SER 35 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2noc n GLU 36 N -1.79 -0.69 -4.29 -1.46 1.02 0.40 -4.79 120.64 109.03 2noc n GLU 36 Ca 0.05 -0.45 -0.16 0.00 -0.02 0.00 0.00 57.16 56.58 2noc n GLU 36 Cb 0.38 -0.91 -0.10 0.00 -0.02 0.00 0.00 31.44 30.79 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 -0.03 1.44 -0.05 -0.32 1.51 0.42 -2.85 117.35 117.47 2noc s TYR 37 Ca 0.00 -0.79 0.02 0.00 -1.01 0.00 0.00 57.07 55.28 2noc s TYR 37 Cb 0.00 -0.76 0.02 0.00 -0.11 0.00 0.00 41.96 41.10 2noc s TYR 37 CO 0.00 0.08 -0.08 0.99 -1.11 0.00 0.00 175.55 175.43 2noc s THR 38 N -3.31 0.80 0.07 -0.71 2.01 0.30 -4.77 115.64 110.03 2noc s THR 38 Ca 0.22 -0.28 -0.31 0.00 0.31 0.00 0.00 61.69 61.63 2noc s THR 38 Cb 0.03 -0.77 -0.06 0.00 0.01 0.00 0.00 72.50 71.71 2noc s THR 38 CO 0.04 0.28 1.26 -0.75 -0.69 0.00 0.00 174.62 174.76 2noc s LYS 39 N 0.79 4.39 0.00 4.92 2.20 -1.26 0.49 119.74 131.27 2noc s LYS 39 Ca -0.13 1.86 0.19 0.00 -0.36 0.00 0.00 55.97 57.53 2noc s LYS 39 Cb -0.15 -3.33 0.01 0.00 -1.51 0.00 0.00 37.83 32.85 2noc s LYS 39 CO 0.02 -0.32 0.97 0.44 -0.36 0.00 0.00 175.35 176.09 2noc n ILE 40 N 3.97 0.00 0.00 5.43 -5.35 -1.13 -4.93 119.36 117.36 2noc n ILE 40 Ca 0.10 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 2noc n ILE 40 Cb 0.45 1.24 0.00 0.00 -1.74 0.00 0.00 39.64 39.59 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 1.25 1.96 3.79 3.28 0.00 -1.26 -5.08 105.19 109.13 2noc n GLY 41 Ca 0.08 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.57 4.54 0.27 2.61 2.01 -1.26 -2.86 115.64 119.39 2noc s THR 42 Ca 0.00 -0.85 0.06 0.00 0.31 0.00 0.00 61.69 61.21 2noc s THR 42 Cb 0.00 -3.23 -0.06 0.00 0.01 0.00 0.00 72.50 69.23 2noc s THR 42 CO 0.00 0.06 -0.05 0.27 -0.69 0.00 0.00 174.62 174.21 2noc s ILE 43 N -1.50 1.54 0.28 1.82 -4.36 0.65 -4.98 121.20 114.66 2noc s ILE 43 Ca 0.30 -2.11 -0.17 0.00 -0.26 0.00 0.00 60.65 58.41 2noc s ILE 43 Cb -0.12 -2.44 0.02 0.00 1.25 0.00 0.00 42.46 41.17 2noc s ILE 43 CO 0.23 -0.30 0.64 -0.94 0.24 0.00 0.00 174.94 174.81 2noc s SER 44 N -3.42 -0.12 -0.02 4.36 1.04 -1.26 -0.05 113.70 114.23 2noc s SER 44 Ca 0.29 -0.82 -0.23 0.00 0.48 0.00 0.00 55.95 55.67 2noc s SER 44 Cb 0.04 0.69 0.05 0.00 0.10 0.00 0.00 66.02 66.90 2noc s SER 44 CO 0.11 -1.32 0.51 0.28 0.98 0.00 0.00 173.24 173.80 2noc s THR 45 N -3.72 0.03 -0.27 2.02 -1.32 0.00 -4.91 115.64 107.47 2noc s THR 45 Ca 0.16 -0.23 -0.27 0.00 -1.21 0.00 0.00 61.69 60.14 2noc s THR 45 Cb -0.04 -0.85 0.17 0.00 -1.51 0.00 0.00 72.50 70.27 2noc s THR 45 CO 0.09 -0.13 1.26 0.28 -2.21 0.00 0.00 174.62 173.92 2noc s THR 46 N -1.45 0.00 0.00 5.08 -1.32 -1.26 -2.12 115.64 114.57 2noc s THR 46 Ca -0.11 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 2noc s THR 46 Cb -0.02 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 2noc s THR 46 CO 0.06 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.08 2noc n GLY 47 N 1.23 -0.37 3.04 6.08 0.00 -0.63 -5.01 105.19 109.53 2noc n GLY 47 Ca -0.08 0.15 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 0.82 0.12 1.61 -1.05 -1.26 -4.72 118.70 114.22 2noc s GLU 48 Ca 0.00 -0.54 0.01 0.00 -0.15 0.00 0.00 54.97 54.28 2noc s GLU 48 Cb 0.00 -0.13 -0.00 0.00 -0.44 0.00 0.00 34.13 33.56 2noc s GLU 48 CO 0.00 -1.22 0.14 -1.33 0.95 0.00 0.00 175.26 173.80 2noc n MET 49 N 4.14 0.20 -3.54 -4.83 2.81 -1.26 -5.14 117.12 109.49 2noc n MET 49 Ca 0.13 -1.00 -0.29 0.00 -1.81 0.00 0.00 57.70 54.73 2noc n MET 49 Cb 0.54 0.91 -0.04 0.00 -0.71 0.00 0.00 33.22 33.93 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 -1.75 6.44 0.47 7.83 0.01 -1.26 -4.88 113.70 120.57 2noc s SER 50 Ca 0.11 0.58 0.17 0.00 1.31 0.00 0.00 55.95 58.12 2noc s SER 50 Cb 0.00 -2.09 1.16 0.00 0.21 0.00 0.00 66.02 65.31 2noc s SER 50 CO 0.08 -0.08 2.02 1.55 0.41 0.00 0.00 173.24 177.22 2noc h PRO 51 N 2.07 0.22 -0.26 12.44 0.13 -1.95 0.11 132.00 144.77 2noc h PRO 51 Ca -0.47 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.49 2noc h PRO 51 Cb 1.18 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2noc h PRO 51 CO 0.68 0.15 -0.44 -0.07 -0.23 0.00 0.00 178.00 178.09 2noc h LEU 52 N 0.23 0.85 -0.86 1.56 3.38 -1.98 -0.80 115.31 117.70 2noc h LEU 52 Ca 0.21 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 2noc h LEU 52 Cb 0.52 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2noc h LEU 52 CO -0.04 1.21 0.33 0.44 0.09 0.00 0.00 178.44 180.47 2noc h ASP 53 N 0.52 1.07 -0.56 -0.43 3.32 -1.48 0.25 116.42 119.11 2noc h ASP 53 Ca 0.02 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 2noc h ASP 53 Cb 1.05 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 2noc h ASP 53 CO 0.10 0.94 0.17 0.00 -1.72 0.00 0.00 179.24 178.73 2noc h ALA 54 N 1.21 0.74 -0.25 3.45 0.00 -0.79 0.43 119.26 124.05 2noc h ALA 54 Ca 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2noc h ALA 54 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2noc h ALA 54 CO -0.02 0.41 0.10 0.00 0.00 0.00 0.00 179.25 179.74 2noc h ARG 55 N 0.79 0.38 -0.65 0.00 3.08 -0.51 -0.59 114.38 116.87 2noc h ARG 55 Ca 0.18 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 2noc h ARG 55 Cb 0.30 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 2noc h ARG 55 CO -0.00 0.41 0.40 0.93 -1.07 0.00 0.00 179.97 180.64 2noc h GLU 56 N 0.26 0.87 -0.35 0.04 5.08 -0.37 0.22 114.58 120.33 2noc h GLU 56 Ca 0.08 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2noc h GLU 56 Cb 0.18 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2noc h GLU 56 CO -0.01 0.60 0.17 0.22 -1.00 0.00 0.00 179.01 178.99 2noc h ASP 57 N 0.89 0.46 0.22 1.42 3.58 -0.43 0.10 116.42 122.66 2noc h ASP 57 Ca 0.24 -0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2noc h ASP 57 Cb -0.06 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.88 2noc h ASP 57 CO -0.05 0.45 -0.11 -0.07 -2.88 0.00 0.00 179.24 176.59 2noc h LEU 58 N 0.43 -0.25 -0.41 2.28 3.38 -0.33 -0.34 115.31 120.07 2noc h LEU 58 Ca 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2noc h LEU 58 Cb 0.12 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2noc h LEU 58 CO -0.02 -0.05 0.21 0.40 0.09 0.00 0.00 178.44 179.07 2noc h ILE 59 N -0.44 1.17 -0.09 1.22 2.04 -0.48 -0.21 117.51 120.71 2noc h ILE 59 Ca -0.03 -0.46 -0.19 0.00 1.00 0.00 0.00 64.86 65.18 2noc h ILE 59 Cb 0.34 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2noc h ILE 59 CO 0.05 0.18 -0.73 0.11 0.00 0.00 0.00 178.15 177.76 2noc h LYS 60 N 0.52 0.45 -0.58 2.37 1.57 -0.82 -2.60 116.57 117.48 2noc h LYS 60 Ca 0.14 -0.36 -0.10 0.00 -1.87 0.00 0.00 60.65 58.46 2noc h LYS 60 Cb 0.10 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2noc h LYS 60 CO -0.02 1.00 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.60 2noc h LYS 61 N 0.31 1.03 -0.98 3.15 3.64 -0.84 0.15 116.57 123.02 2noc h LYS 61 Ca -0.03 -0.34 0.07 0.00 -1.27 0.00 0.00 60.65 59.08 2noc h LYS 61 Cb 1.31 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.97 2noc h LYS 61 CO 0.13 1.03 0.63 0.00 -2.27 0.00 0.00 179.45 178.97 2noc h ALA 62 N 1.01 1.38 -0.25 5.00 0.00 -0.96 -1.49 119.26 123.96 2noc h ALA 62 Ca 0.16 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2noc h ALA 62 Cb 0.59 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2noc h ALA 62 CO 0.04 0.39 -0.33 0.22 0.00 0.00 0.00 179.25 179.56 2noc h ASP 63 N 1.12 0.55 -0.80 0.00 3.58 -0.96 0.21 116.42 120.13 2noc h ASP 63 Ca 0.43 -0.22 0.09 0.00 0.42 0.00 0.00 57.03 57.76 2noc h ASP 63 Cb 0.21 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.05 2noc h ASP 63 CO -0.19 0.85 0.52 -0.33 -2.88 0.00 0.00 179.24 177.22 2noc h GLU 64 N 0.45 0.73 0.00 0.28 4.39 0.29 -1.53 114.58 119.20 2noc h GLU 64 Ca 0.05 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.52 2noc h GLU 64 Cb 0.80 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 2noc h GLU 64 CO 0.07 0.48 -1.58 1.17 -1.16 0.00 0.00 179.01 177.99 2noc n LYS 65 N -4.51 0.63 0.00 2.33 4.81 -0.92 -5.02 118.16 115.49 2noc n LYS 65 Ca 0.13 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 2noc n LYS 65 Cb 0.31 -1.76 0.00 0.00 0.02 0.00 0.00 35.03 33.60 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 1.44 0.90 3.94 3.14 0.00 0.55 -5.12 105.19 110.04 2noc n GLY 66 Ca -0.12 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 2noc n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2noc s ALA 67 N -1.97 3.61 -0.04 4.61 0.00 -0.11 -4.92 121.76 122.95 2noc s ALA 67 Ca 0.00 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.06 2noc s ALA 67 Cb 0.00 -2.29 -0.05 0.00 0.00 0.00 0.00 23.12 20.78 2noc s ALA 67 CO 0.00 -0.49 0.01 -0.25 0.00 0.00 0.00 175.76 175.03 2noc n ASP 68 N -2.22 3.91 -4.18 0.00 8.00 0.19 -3.37 116.55 118.88 2noc n ASP 68 Ca 0.02 -0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.25 2noc n ASP 68 Cb 0.57 0.54 -0.16 0.00 -0.02 0.00 0.00 41.12 42.05 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 -2.10 1.52 0.01 2.53 1.01 0.77 -0.46 120.40 123.68 2noc s VAL 69 Ca -0.03 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.20 2noc s VAL 69 Cb 0.01 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 2noc s VAL 69 CO 0.17 0.43 -0.13 0.68 0.00 0.00 0.00 175.10 176.25 2noc s VAL 70 N -0.25 1.06 -0.26 2.92 -7.23 0.29 -0.06 120.40 116.86 2noc s VAL 70 Ca 0.02 -0.74 -0.00 0.00 -1.81 0.00 0.00 61.98 59.45 2noc s VAL 70 Cb -0.09 -0.91 0.08 0.00 0.56 0.00 0.00 36.38 36.01 2noc s VAL 70 CO 0.01 0.17 0.03 -0.69 -0.31 0.00 0.00 175.10 174.30 2noc s VAL 71 N -0.53 1.12 -0.98 1.32 1.01 0.16 -3.93 120.40 118.57 2noc s VAL 71 Ca 0.04 -1.19 -0.24 0.00 0.00 0.00 0.00 61.98 60.59 2noc s VAL 71 Cb -0.06 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 2noc s VAL 71 CO 0.00 -0.35 1.81 -0.76 0.00 0.00 0.00 175.10 175.80 2noc s LEU 72 N 1.55 3.27 0.16 3.92 1.43 -1.26 -0.65 118.68 127.10 2noc s LEU 72 Ca 0.02 -1.07 -0.14 0.00 -1.03 0.00 0.00 54.13 51.90 2noc s LEU 72 Cb -0.18 -2.57 0.05 0.00 0.03 0.00 0.00 46.19 43.52 2noc s LEU 72 CO -0.13 -2.40 1.79 0.74 0.23 0.00 0.00 176.35 176.58 2noc h THR 73 N 6.94 1.16 -2.06 5.49 2.02 -1.49 -3.48 112.91 121.50 2noc h THR 73 Ca 0.15 -0.38 0.25 0.00 0.77 0.00 0.00 66.41 67.20 2noc h THR 73 Cb 0.99 0.51 -0.07 0.00 -1.74 0.00 0.00 68.15 67.84 2noc h THR 73 CO 1.28 0.17 -0.38 -1.20 0.37 0.00 0.00 175.52 175.75 2noc n SER 74 N -4.68 -5.45 -3.87 4.18 7.64 0.12 -4.83 113.62 106.74 2noc n SER 74 Ca 0.02 0.42 -0.11 0.00 1.01 0.00 0.00 58.87 60.22 2noc n SER 74 Cb 0.06 -2.81 -0.09 0.00 -1.01 0.00 0.00 64.21 60.36 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 -5.51 0.06 -1.37 0.23 0.00 -1.26 -3.94 107.32 95.53 2noc s GLY 75 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 44.72 44.35 2noc s GLY 75 CO 0.00 -0.39 2.46 -0.18 0.00 0.00 0.00 173.10 174.99 2noc n GLN 76 N 1.09 2.92 0.00 2.90 0.00 -1.26 -4.04 117.38 118.99 2noc n GLN 76 Ca -0.21 -2.21 0.00 0.00 -0.00 0.00 0.00 57.00 54.58 2noc n GLN 76 Cb 0.57 -2.95 0.00 0.00 0.00 0.00 0.00 30.24 27.86 2noc n GLN 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2noc n THR 77 N 4.51 0.00 0.00 1.69 -1.04 -1.26 -5.01 114.28 113.17 2noc n THR 77 Ca 0.61 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.62 2noc n THR 77 Cb 0.30 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 2noc n THR 77 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2noc n GLU 78 N -2.22 0.00 0.00 -2.82 0.00 -1.26 -4.64 120.64 109.70 2noc n GLU 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2noc n GLU 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 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 1.54 0.00 -0.83 4.31 4.05 -1.26 -3.09 115.26 119.99 2noc n ASN 79 Ca 0.00 0.99 0.08 0.00 0.45 0.00 0.00 54.58 56.10 2noc n ASN 79 Cb 0.00 -0.49 0.16 0.00 1.23 0.00 0.00 39.78 40.68 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 -2.51 2.14 -1.34 1.20 2.85 -1.26 -4.81 118.16 114.43 2noc n LYS 80 Ca 0.00 -1.95 0.00 0.00 -1.05 0.00 0.00 58.31 55.31 2noc n LYS 80 Cb 0.00 -1.37 0.00 0.00 -0.65 0.00 0.00 35.03 33.01 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 0.99 -2.73 -2.08 0.58 5.41 -1.18 -1.60 119.36 118.75 2noc n ILE 81 Ca 0.14 1.33 -0.05 0.00 1.00 0.00 0.00 62.75 65.18 2noc n ILE 81 Cb 0.47 -2.15 -0.05 0.00 -0.71 0.00 0.00 39.64 37.20 2noc n ILE 81 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 2noc n HIS 82 N -2.26 0.00 -2.55 1.39 8.25 -1.24 -4.10 115.22 114.70 2noc n HIS 82 Ca 0.00 -0.45 -0.40 0.00 -0.26 0.00 0.00 57.72 56.61 2noc n HIS 82 Cb 0.36 0.36 -0.05 0.00 1.12 0.00 0.00 29.99 31.79 2noc n HIS 82 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2noc s GLY 83 N -1.07 3.06 0.37 -1.41 0.00 -0.90 -4.16 107.32 103.20 2noc s GLY 83 Ca 0.05 0.81 0.08 0.00 0.00 0.00 0.00 44.72 45.67 2noc s GLY 83 CO -0.03 1.43 0.03 -0.51 0.00 0.00 0.00 173.10 174.03 2noc s THR 84 N -1.07 2.40 -0.15 0.90 -4.23 -1.25 -0.82 115.64 111.41 2noc s THR 84 Ca 0.44 -1.95 -0.10 0.00 -1.18 0.00 0.00 61.69 58.90 2noc s THR 84 Cb -0.30 -2.86 0.05 0.00 1.34 0.00 0.00 72.50 70.73 2noc s THR 84 CO 0.38 -0.12 0.38 0.00 -0.54 0.00 0.00 174.62 174.72 2noc s ALA 85 N -2.58 -0.96 -0.24 3.99 0.00 0.93 0.16 121.76 123.06 2noc s ALA 85 Ca 0.36 1.31 -0.09 0.00 0.00 0.00 0.00 51.96 53.54 2noc s ALA 85 Cb 0.03 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 2noc s ALA 85 CO 0.19 -0.23 0.11 0.16 0.00 0.00 0.00 175.76 176.00 2noc s ASP 86 N 0.93 5.61 0.15 0.00 -4.77 0.18 -0.25 116.67 118.51 2noc s ASP 86 Ca -0.06 -0.04 0.09 0.00 -3.30 0.00 0.00 52.55 49.24 2noc s ASP 86 Cb -0.06 -2.01 -0.04 0.00 -1.09 0.00 0.00 42.92 39.72 2noc s ASP 86 CO -0.07 0.03 -0.13 0.27 0.70 0.00 0.00 175.17 175.96 2noc s ILE 87 N 1.25 3.05 0.06 2.11 -4.36 -1.13 -0.66 121.20 121.52 2noc s ILE 87 Ca 0.06 -1.57 0.01 0.00 -0.26 0.00 0.00 60.65 58.89 2noc s ILE 87 Cb -0.14 -2.46 -0.03 0.00 1.25 0.00 0.00 42.46 41.07 2noc s ILE 87 CO 0.05 -0.01 -0.06 -0.31 0.24 0.00 0.00 174.94 174.85 2noc s TYR 88 N -1.44 0.65 0.26 1.37 1.51 0.91 -2.82 117.35 117.78 2noc s TYR 88 Ca 0.22 -0.75 0.11 0.00 -1.01 0.00 0.00 57.07 55.63 2noc s TYR 88 Cb -0.10 -0.40 -0.05 0.00 -0.11 0.00 0.00 41.96 41.31 2noc s TYR 88 CO 0.13 -0.18 -0.10 0.15 -1.11 0.00 0.00 175.55 174.43 2noc s LYS 89 N -2.74 1.98 0.12 -0.62 1.02 0.18 -0.16 119.74 119.51 2noc s LYS 89 Ca -0.01 -1.55 -0.27 0.00 0.02 0.00 0.00 55.97 54.17 2noc s LYS 89 Cb -0.02 -1.99 -0.07 0.00 -0.52 0.00 0.00 37.83 35.24 2noc s LYS 89 CO -0.04 0.36 0.83 0.21 -0.92 0.00 0.00 175.35 175.80 2noc s LYS 90 N -3.47 4.60 0.00 1.68 2.20 -1.26 -0.54 119.74 122.96 2noc s LYS 90 Ca 0.30 1.23 0.00 0.00 -0.36 0.00 0.00 55.97 57.13 2noc s LYS 90 Cb -0.06 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 2noc s LYS 90 CO 0.17 0.38 0.00 1.63 -0.36 0.00 0.00 175.35 177.16 2noc n LYS 91 N 2.31 2.04 -0.17 4.03 5.02 -1.13 -4.90 118.16 125.37 2noc n LYS 91 Ca -0.02 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.35 2noc n LYS 91 Cb 0.49 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 35.66 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 2.74 -4.02 -0.35 -0.00 -1.26 -4.98 117.00 109.14 2noc n LEU 92 Ca 0.00 -2.88 -0.30 0.00 -0.00 0.00 0.00 56.01 52.83 2noc n LEU 92 Cb 0.00 -0.40 -0.16 0.00 -0.00 0.00 0.00 43.42 42.86 2noc n LEU 92 CO 0.00 0.68 -0.48 -0.70 -0.00 0.00 0.00 177.39 176.88 2noc s GLU 93 N -2.53 2.27 0.33 1.47 2.12 -1.26 -5.11 118.70 115.98 2noc s GLU 93 Ca 0.30 -0.59 0.06 0.00 0.36 0.00 0.00 54.97 55.10 2noc s GLU 93 Cb 0.25 -2.14 -0.02 0.00 0.26 0.00 0.00 34.13 32.48 2noc s GLU 93 CO 0.05 -0.26 0.31 -1.01 -0.54 0.00 0.00 175.26 173.81 2noc s HIS 94 N 1.48 1.65 0.65 5.30 3.76 -1.26 -4.35 115.29 122.51 2noc s HIS 94 Ca 0.04 -1.61 -0.11 0.00 -0.15 0.00 0.00 55.06 53.24 2noc s HIS 94 Cb -0.13 -0.61 0.16 0.00 1.11 0.00 0.00 32.58 33.10 2noc s HIS 94 CO -0.10 -0.92 0.70 0.72 -0.85 0.00 0.00 174.74 174.28 2noc n HIS 95 N -0.61 -3.73 0.07 1.40 8.25 -1.26 -4.97 115.22 114.36 2noc n HIS 95 Ca 0.06 -0.62 -0.09 0.00 -0.26 0.00 0.00 57.72 56.82 2noc n HIS 95 Cb 0.62 -0.63 0.03 0.00 1.12 0.00 0.00 29.99 31.13 2noc n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2noc h HIS 96 N -1.87 0.39 -3.10 4.41 3.86 -2.06 -3.41 115.15 113.37 2noc h HIS 96 Ca -0.24 -0.19 -0.57 0.00 -1.16 0.00 0.00 60.37 58.21 2noc h HIS 96 Cb 0.71 -0.05 -0.05 0.00 1.06 0.00 0.00 27.41 29.08 2noc h HIS 96 CO 0.00 0.95 1.06 -1.58 0.86 0.00 0.00 177.93 179.22 2noc s HIS 97 N -3.44 2.40 -0.96 2.45 5.65 -1.26 -4.94 115.29 115.19 2noc s HIS 97 Ca -0.04 0.71 -0.01 0.00 0.25 0.00 0.00 55.06 55.97 2noc s HIS 97 Cb 0.10 -4.10 0.30 0.00 -1.18 0.00 0.00 32.58 27.70 2noc s HIS 97 CO 0.83 -2.13 1.36 0.72 -0.65 0.00 0.00 174.74 174.87 2noc n HIS 98 N 8.45 2.70 0.00 3.88 -0.00 -1.26 -5.08 115.22 123.91 2noc n HIS 98 Ca 0.17 -2.97 0.00 0.00 -0.00 0.00 0.00 57.72 54.92 2noc n HIS 98 Cb 0.47 -1.06 0.00 0.00 -0.00 0.00 0.00 29.99 29.40 2noc n HIS 98 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92