#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sym n SER 1 N 0.00 0.29 -0.03 7.83 3.41 -1.26 -4.94 113.62 118.91 1sym n SER 1 Ca 0.00 -0.91 -0.00 0.00 -0.26 0.00 0.00 58.87 57.70 1sym n SER 1 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1sym n SER 1 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1sym h GLU 2 N 0.00 0.00 0.04 4.33 4.22 -2.04 -3.13 114.58 118.00 1sym h GLU 2 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 1sym h GLU 2 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1sym h GLU 2 CO 0.00 0.00 -0.02 1.25 -2.18 0.00 0.00 179.01 178.06 1sym h LEU 3 N -0.69 -0.04 -1.31 1.64 5.85 -1.97 -1.23 115.31 117.56 1sym h LEU 3 Ca 0.00 -0.49 0.21 0.00 0.84 0.00 0.00 57.88 58.44 1sym h LEU 3 Cb 0.01 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 40.96 1sym h LEU 3 CO 0.00 0.48 0.62 -0.08 -0.34 0.00 0.00 178.44 179.12 1sym h GLU 4 N -0.59 0.52 0.19 1.25 4.22 -1.98 0.72 114.58 118.91 1sym h GLU 4 Ca -0.01 -0.03 -0.32 0.00 0.08 0.00 0.00 59.36 59.09 1sym h GLU 4 Cb 0.53 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.69 1sym h GLU 4 CO 0.01 0.34 -1.44 -0.22 -2.18 0.00 0.00 179.01 175.52 1sym h LYS 5 N 0.53 0.41 0.00 1.92 3.11 -1.50 -3.10 116.57 117.93 1sym h LYS 5 Ca 0.53 -0.70 0.00 0.00 -2.81 0.00 0.00 60.65 57.68 1sym h LYS 5 Cb 1.14 0.26 0.00 0.00 -1.00 0.00 0.00 32.23 32.63 1sym h LYS 5 CO -0.27 1.32 -0.00 0.00 -2.81 0.00 0.00 179.45 177.69 1sym h ALA 6 N 0.33 0.00 -0.85 5.00 0.00 0.13 -1.23 119.26 122.64 1sym h ALA 6 Ca -0.23 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.83 1sym h ALA 6 Cb 2.08 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 19.72 1sym h ALA 6 CO 0.23 0.00 -0.29 1.98 0.00 0.00 0.00 179.25 181.17 1sym h MET 7 N -0.08 -0.03 -0.39 0.00 1.85 0.15 0.90 114.93 117.33 1sym h MET 7 Ca 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 59.01 1sym h MET 7 Cb 0.00 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.02 1sym h MET 7 CO 0.00 -0.02 -0.10 0.28 -0.40 0.00 0.00 176.91 176.66 1sym h VAL 8 N -0.03 1.25 -0.98 -5.77 2.07 -1.55 -2.34 116.25 108.89 1sym h VAL 8 Ca 0.36 -1.10 0.16 0.00 0.82 0.00 0.00 66.70 66.93 1sym h VAL 8 Cb 0.61 1.06 -0.10 0.00 -1.52 0.00 0.00 31.29 31.35 1sym h VAL 8 CO -0.88 0.37 0.59 0.00 0.02 0.00 0.00 177.57 177.67 1sym h ALA 9 N 1.27 1.55 -0.55 1.67 0.00 0.21 0.32 119.26 123.72 1sym h ALA 9 Ca 0.11 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1sym h ALA 9 Cb 0.54 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1sym h ALA 9 CO 0.03 0.05 0.26 1.25 0.00 0.00 0.00 179.25 180.84 1sym h LEU 10 N 0.83 0.34 -1.38 0.00 6.46 -0.68 0.26 115.31 121.14 1sym h LEU 10 Ca 0.53 0.04 0.18 0.00 -0.12 0.00 0.00 57.88 58.52 1sym h LEU 10 Cb 0.71 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.55 1sym h LEU 10 CO -0.34 0.22 0.59 0.40 -0.62 0.00 0.00 178.44 178.70 1sym h ILE 11 N 0.48 0.72 0.53 4.05 2.04 -0.37 -1.43 117.51 123.55 1sym h ILE 11 Ca 0.26 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1sym h ILE 11 Cb 0.21 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1sym h ILE 11 CO -0.21 0.10 -0.32 -0.78 0.00 0.00 0.00 178.15 176.94 1sym h ASP 12 N 0.53 -0.80 -1.28 1.72 3.58 0.07 -1.61 116.42 118.63 1sym h ASP 12 Ca 0.48 0.05 0.37 0.00 0.42 0.00 0.00 57.03 58.34 1sym h ASP 12 Cb 1.01 0.23 -0.07 0.00 1.72 0.00 0.00 39.33 42.22 1sym h ASP 12 CO -0.21 -0.51 0.89 0.58 -2.88 0.00 0.00 179.24 177.11 1sym h VAL 13 N -0.81 0.34 -0.19 2.25 2.07 -0.98 0.32 116.25 119.25 1sym h VAL 13 Ca -0.06 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1sym h VAL 13 Cb 0.65 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1sym h VAL 13 CO 0.07 0.02 0.09 0.15 0.02 0.00 0.00 177.57 177.92 1sym h PHE 14 N 0.09 0.29 0.00 1.57 3.04 -1.14 -0.58 116.94 120.21 1sym h PHE 14 Ca 0.66 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.59 1sym h PHE 14 Cb 2.36 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 40.78 1sym h PHE 14 CO -0.00 0.31 0.00 1.58 -2.02 0.00 0.00 178.31 178.18 1sym n HIS 15 N -4.86 0.00 -0.08 0.41 -0.00 0.11 -0.63 115.22 110.17 1sym n HIS 15 Ca -0.04 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.03 1sym n HIS 15 Cb 0.10 -0.14 -0.15 0.00 -0.12 0.00 0.00 29.99 29.69 1sym n HIS 15 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1sym n GLN 16 N -1.14 0.67 -0.08 1.57 -0.06 -0.52 -4.19 117.38 113.63 1sym n GLN 16 Ca 0.15 0.11 -0.13 0.00 -2.00 0.00 0.00 57.00 55.13 1sym n GLN 16 Cb 0.13 -1.60 -0.04 0.00 -4.06 0.00 0.00 30.24 24.67 1sym n GLN 16 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1sym n TYR 17 N -2.94 0.00 -0.48 3.69 4.02 -0.34 -4.35 117.16 116.75 1sym n TYR 17 Ca -0.31 0.00 0.40 0.00 -0.01 0.00 0.00 57.90 57.98 1sym n TYR 17 Cb 1.10 -0.55 0.69 0.00 -0.02 0.00 0.00 39.34 40.56 1sym n TYR 17 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1sym h SER 18 N -0.86 0.17 0.00 7.72 0.87 -1.08 -3.30 113.55 117.08 1sym h SER 18 Ca -0.18 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1sym h SER 18 Cb 1.05 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1sym h SER 18 CO -0.11 -0.10 0.00 0.61 -0.53 0.00 0.00 176.83 176.70 1sym n GLY 19 N -1.64 0.33 1.89 5.77 0.00 -1.25 -3.67 105.19 106.61 1sym n GLY 19 Ca 0.37 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.27 1sym n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sym n ARG 20 N 0.00 -1.48 0.00 1.61 1.74 -1.24 -4.23 116.66 113.05 1sym n ARG 20 Ca 0.00 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 1sym n ARG 20 Cb 0.00 -4.80 0.00 0.00 -1.02 0.00 0.00 32.46 26.64 1sym n ARG 20 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1sym n GLU 21 N -1.87 0.00 0.00 5.56 -0.58 -1.26 -5.07 120.64 117.41 1sym n GLU 21 Ca -0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 1sym n GLU 21 Cb 0.37 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.24 1sym n GLU 21 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sym n GLY 22 N -1.42 0.38 0.24 0.62 0.00 -1.26 -5.01 105.19 98.73 1sym n GLY 22 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 1sym n GLY 22 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1sym h ASP 23 N 0.00 -0.86 -1.79 1.61 2.03 -1.87 -3.45 116.42 112.10 1sym h ASP 23 Ca 0.00 0.10 -0.40 0.00 -0.73 0.00 0.00 57.03 55.99 1sym h ASP 23 Cb 0.00 0.33 -0.11 0.00 -0.83 0.00 0.00 39.33 38.72 1sym h ASP 23 CO 0.00 -0.26 -0.42 0.29 -1.03 0.00 0.00 179.24 177.82 1sym n LYS 24 N -4.01 -1.55 0.00 4.15 5.02 -1.24 -4.73 118.16 115.81 1sym n LYS 24 Ca -0.04 1.10 0.00 0.00 -2.02 0.00 0.00 58.31 57.35 1sym n LYS 24 Cb 0.20 -5.57 0.00 0.00 -0.02 0.00 0.00 35.03 29.64 1sym n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1sym n HIS 25 N -2.89 0.00 -3.73 2.13 8.25 -1.26 -4.84 115.22 112.88 1sym n HIS 25 Ca -0.21 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.13 1sym n HIS 25 Cb 0.66 0.02 -0.11 0.00 1.12 0.00 0.00 29.99 31.68 1sym n HIS 25 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1sym s LYS 26 N 0.00 0.41 0.00 -0.41 0.00 -1.26 -4.74 119.74 113.74 1sym s LYS 26 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 55.97 56.58 1sym s LYS 26 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 37.83 37.95 1sym s LYS 26 CO 0.00 -0.09 0.00 1.28 0.00 0.00 0.00 175.35 176.54 1sym n LEU 27 N 3.39 0.00 -3.70 2.77 7.99 -0.40 -4.81 117.00 122.24 1sym n LEU 27 Ca -0.17 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.72 1sym n LEU 27 Cb 0.56 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.76 1sym n LEU 27 CO 0.12 -0.39 0.01 -0.75 -1.51 0.00 0.00 177.39 174.87 1sym s LYS 28 N -1.06 0.35 0.62 3.23 2.20 -1.26 -1.68 119.74 122.14 1sym s LYS 28 Ca 0.00 0.75 0.23 0.00 -0.36 0.00 0.00 55.97 56.60 1sym s LYS 28 Cb 0.00 -0.02 0.95 0.00 -1.51 0.00 0.00 37.83 37.24 1sym s LYS 28 CO 0.00 -0.17 1.42 1.57 -0.36 0.00 0.00 175.35 177.81 1sym h LYS 29 N 7.24 0.00 0.05 4.03 2.10 -1.77 0.54 116.57 128.76 1sym h LYS 29 Ca -0.36 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.15 1sym h LYS 29 Cb 1.17 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.52 1sym h LYS 29 CO 0.30 0.00 -0.58 0.77 -2.00 0.00 0.00 179.45 177.93 1sym h SER 30 N 0.00 0.42 1.07 7.07 0.02 -1.82 -1.71 113.55 118.60 1sym h SER 30 Ca 0.33 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1sym h SER 30 Cb 2.28 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 64.69 1sym h SER 30 CO -0.00 1.23 0.00 1.21 -1.14 0.00 0.00 176.83 178.13 1sym n GLU 31 N -4.26 0.24 -0.03 3.45 4.07 0.17 -2.67 120.64 121.61 1sym n GLU 31 Ca -0.12 0.34 -0.17 0.00 -0.06 0.00 0.00 57.16 57.16 1sym n GLU 31 Cb 0.69 -1.86 -0.13 0.00 -0.06 0.00 0.00 31.44 30.07 1sym n GLU 31 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1sym h LEU 32 N 0.00 0.17 -0.88 4.31 5.85 -0.99 -0.60 115.31 123.18 1sym h LEU 32 Ca 0.00 -0.92 0.17 0.00 0.84 0.00 0.00 57.88 57.97 1sym h LEU 32 Cb 0.53 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.40 1sym h LEU 32 CO 0.00 1.22 0.44 0.50 -0.34 0.00 0.00 178.44 180.26 1sym h LYS 33 N -0.75 0.55 -0.05 1.25 3.64 -1.17 0.28 116.57 120.32 1sym h LYS 33 Ca -0.10 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.10 1sym h LYS 33 Cb 1.29 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1sym h LYS 33 CO 0.03 0.36 -0.53 1.05 -2.27 0.00 0.00 179.45 178.09 1sym h GLU 34 N 0.56 0.44 -0.98 1.90 4.11 -1.58 -2.32 114.58 116.72 1sym h GLU 34 Ca 0.50 -0.41 0.32 0.00 0.07 0.00 0.00 59.36 59.84 1sym h GLU 34 Cb 0.80 0.10 -0.16 0.00 0.50 0.00 0.00 28.75 30.00 1sym h GLU 34 CO -0.41 1.06 0.46 1.25 0.07 0.00 0.00 179.01 181.43 1sym h LEU 35 N -0.03 0.30 0.00 3.06 7.12 0.68 1.41 115.31 127.86 1sym h LEU 35 Ca -0.05 0.21 0.00 0.00 0.13 0.00 0.00 57.88 58.17 1sym h LEU 35 Cb 1.21 0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.55 1sym h LEU 35 CO 0.11 -0.22 -0.01 0.40 -0.13 0.00 0.00 178.44 178.59 1sym h ILE 36 N 0.21 0.00 0.57 4.05 2.04 -1.22 -3.14 117.51 120.02 1sym h ILE 36 Ca 0.71 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 1sym h ILE 36 Cb 1.65 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1sym h ILE 36 CO -0.67 0.00 -0.27 -1.13 0.00 0.00 0.00 178.15 176.08 1sym h ASN 37 N -0.62 -0.64 -0.92 1.72 -0.73 -0.91 0.65 115.58 114.12 1sym h ASN 37 Ca 0.00 0.02 0.27 0.00 1.87 0.00 0.00 56.30 58.46 1sym h ASN 37 Cb 0.01 0.17 -0.16 0.00 0.27 0.00 0.00 38.32 38.61 1sym h ASN 37 CO 0.00 -0.33 0.21 -1.13 -0.37 0.00 0.00 177.43 175.81 1sym h ASN 38 N -1.02 -0.09 0.00 1.15 -1.24 0.17 -3.20 115.58 111.35 1sym h ASN 38 Ca -0.08 0.23 0.00 0.00 0.71 0.00 0.00 56.30 57.16 1sym h ASN 38 Cb 0.58 0.33 0.00 0.00 0.73 0.00 0.00 38.32 39.96 1sym h ASN 38 CO 0.13 -0.24 0.00 1.21 -1.29 0.00 0.00 177.43 177.24 1sym n GLU 39 N -5.30 0.00 0.00 6.67 4.07 -0.92 -4.88 120.64 120.28 1sym n GLU 39 Ca 0.24 0.08 0.00 0.00 -0.06 0.00 0.00 57.16 57.42 1sym n GLU 39 Cb 0.77 -0.40 0.00 0.00 -0.06 0.00 0.00 31.44 31.75 1sym n GLU 39 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1sym n LEU 40 N -1.63 0.00 -3.61 4.31 4.77 0.22 -4.86 117.00 116.20 1sym n LEU 40 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 1sym n LEU 40 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1sym n LEU 40 CO 0.00 0.00 -0.21 -0.24 -1.33 0.00 0.00 177.39 175.61 1sym n SER 41 N 0.00 -5.37 0.00 -1.43 2.88 -0.62 -4.86 113.62 104.21 1sym n SER 41 Ca 0.00 -0.56 0.00 0.00 -1.33 0.00 0.00 58.87 56.98 1sym n SER 41 Cb 0.00 -2.00 0.00 0.00 -0.75 0.00 0.00 64.21 61.46 1sym n SER 41 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1sym n HIS 42 N -1.58 -0.71 -3.26 0.66 -0.00 -1.26 -5.01 115.22 104.07 1sym n HIS 42 Ca -0.20 0.00 -0.46 0.00 -0.00 0.00 0.00 57.72 57.06 1sym n HIS 42 Cb 0.67 0.32 -0.02 0.00 -0.00 0.00 0.00 29.99 30.95 1sym n HIS 42 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1sym s PHE 43 N -1.63 3.61 -0.41 1.57 0.40 -1.26 -4.88 117.98 115.38 1sym s PHE 43 Ca 0.00 -1.83 0.08 0.00 -0.60 0.00 0.00 56.93 54.58 1sym s PHE 43 Cb 0.00 -3.90 0.25 0.00 0.51 0.00 0.00 43.02 39.88 1sym s PHE 43 CO 0.00 -1.08 0.59 1.28 0.70 0.00 0.00 175.22 176.71 1sym n LEU 44 N 4.53 -0.38 0.01 -0.37 4.77 -1.26 -4.74 117.00 119.57 1sym n LEU 44 Ca 0.13 -4.45 0.00 0.00 -0.03 0.00 0.00 56.01 51.67 1sym n LEU 44 Cb 0.47 0.68 0.00 0.00 -2.33 0.00 0.00 43.42 42.24 1sym n LEU 44 CO 0.38 2.06 -0.22 -0.62 -1.33 0.00 0.00 177.39 177.66 1sym n GLU 45 N 1.43 0.00 -3.31 3.23 -0.58 -1.26 -4.92 120.64 115.22 1sym n GLU 45 Ca 0.19 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.65 1sym n GLU 45 Cb 0.55 -0.25 -0.07 0.00 -0.57 0.00 0.00 31.44 31.10 1sym n GLU 45 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1sym n GLU 46 N -2.84 2.75 -1.93 3.49 4.71 -1.26 -5.06 120.64 120.49 1sym n GLU 46 Ca 0.00 -4.71 -0.42 0.00 -0.01 0.00 0.00 57.16 52.02 1sym n GLU 46 Cb 0.22 -2.26 -0.03 0.00 -1.01 0.00 0.00 31.44 28.35 1sym n GLU 46 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1sym s ILE 47 N -2.89 2.82 -0.22 -3.67 1.01 -1.26 -2.77 121.20 114.22 1sym s ILE 47 Ca 0.41 0.47 0.05 0.00 0.00 0.00 0.00 60.65 61.58 1sym s ILE 47 Cb 0.17 -3.30 -0.20 0.00 0.01 0.00 0.00 42.46 39.14 1sym s ILE 47 CO -0.03 0.02 -0.07 0.29 0.00 0.00 0.00 174.94 175.15 1sym n LYS 48 N 4.70 0.67 -2.36 2.79 5.02 -1.12 -4.50 118.16 123.35 1sym n LYS 48 Ca 0.15 0.13 -0.41 0.00 -2.02 0.00 0.00 58.31 56.16 1sym n LYS 48 Cb 0.39 -1.55 0.01 0.00 -0.02 0.00 0.00 35.03 33.86 1sym n LYS 48 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1sym n GLU 49 N -3.17 4.83 0.11 1.97 -0.58 -0.84 -4.73 120.64 118.23 1sym n GLU 49 Ca -0.41 -4.03 0.20 0.00 -0.42 0.00 0.00 57.16 52.50 1sym n GLU 49 Cb 1.04 -2.59 0.76 0.00 -0.57 0.00 0.00 31.44 30.08 1sym n GLU 49 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1sym h GLN 50 N 4.63 0.00 -0.04 3.49 4.15 -1.84 0.19 115.11 125.69 1sym h GLN 50 Ca 0.57 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.78 1sym h GLN 50 Cb 0.37 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1sym h GLN 50 CO 1.37 0.00 -0.86 1.49 -1.93 0.00 0.00 178.83 178.90 1sym h GLU 51 N 0.00 0.43 0.47 1.69 4.57 -1.96 -0.72 114.58 119.06 1sym h GLU 51 Ca 0.17 -0.42 -0.02 0.00 -1.18 0.00 0.00 59.36 57.92 1sym h GLU 51 Cb 0.97 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1sym h GLU 51 CO -0.00 1.07 -0.22 0.28 -1.18 0.00 0.00 179.01 178.95 1sym h VAL 52 N 0.27 0.45 0.00 0.32 2.07 -1.02 0.14 116.25 118.47 1sym h VAL 52 Ca -0.06 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 1sym h VAL 52 Cb 1.47 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1sym h VAL 52 CO 0.15 0.06 -0.30 0.58 0.02 0.00 0.00 177.57 178.08 1sym h VAL 53 N -0.91 1.01 0.00 2.57 2.07 -1.59 -1.99 116.25 117.42 1sym h VAL 53 Ca -0.06 -1.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.29 1sym h VAL 53 Cb 0.58 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1sym h VAL 53 CO 0.11 0.29 -0.35 0.44 0.02 0.00 0.00 177.57 178.08 1sym h ASP 54 N 0.00 0.00 0.04 0.57 5.19 -1.00 -1.03 116.42 120.19 1sym h ASP 54 Ca -0.00 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 1sym h ASP 54 Cb 0.60 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.12 1sym h ASP 54 CO 0.04 0.35 -0.32 0.50 -3.12 0.00 0.00 179.24 176.69 1sym h LYS 55 N 0.00 0.09 -0.24 3.56 3.11 -0.01 -1.84 116.57 121.24 1sym h LYS 55 Ca -0.00 -0.16 -0.16 0.00 -2.81 0.00 0.00 60.65 57.52 1sym h LYS 55 Cb 1.11 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 1sym h LYS 55 CO 0.05 1.07 -0.49 -0.39 -2.81 0.00 0.00 179.45 176.89 1sym h VAL 56 N -0.80 1.30 0.00 2.00 -1.51 -1.47 -1.88 116.25 113.88 1sym h VAL 56 Ca -0.06 -1.69 -0.04 0.00 -1.23 0.00 0.00 66.70 63.68 1sym h VAL 56 Cb 1.21 1.75 -0.01 0.00 -2.13 0.00 0.00 31.29 32.12 1sym h VAL 56 CO 0.04 0.54 -0.19 -0.03 -1.23 0.00 0.00 177.57 176.69 1sym h MET 57 N 0.49 0.00 0.05 5.19 1.85 -1.32 -0.51 114.93 120.68 1sym h MET 57 Ca 0.01 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.10 1sym h MET 57 Cb 1.09 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.12 1sym h MET 57 CO 0.11 0.19 -0.02 0.93 -0.40 0.00 0.00 176.91 177.72 1sym h GLU 58 N 0.00 -0.06 -0.13 0.39 5.08 -1.08 -1.68 114.58 117.10 1sym h GLU 58 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1sym h GLU 58 Cb 0.59 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1sym h GLU 58 CO 0.03 0.51 -0.07 1.15 -1.00 0.00 0.00 179.01 179.62 1sym h THR 59 N -0.93 1.13 0.33 1.13 2.02 -1.33 0.52 112.91 115.79 1sym h THR 59 Ca -0.01 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 1sym h THR 59 Cb 0.61 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1sym h THR 59 CO 0.01 0.18 -0.16 -0.07 0.37 0.00 0.00 175.52 175.85 1sym h LEU 60 N 0.19 -0.38 -0.04 2.58 3.38 -1.12 -2.53 115.31 117.39 1sym h LEU 60 Ca 0.04 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1sym h LEU 60 Cb 0.26 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1sym h LEU 60 CO 0.01 -0.12 -0.01 -0.67 0.09 0.00 0.00 178.44 177.75 1sym n ASP 61 N -5.20 0.07 -0.04 -0.43 -0.08 -0.63 -2.38 116.55 107.86 1sym n ASP 61 Ca -0.10 -0.66 -0.15 0.00 -1.51 0.00 0.00 54.79 52.38 1sym n ASP 61 Cb 0.24 -0.11 -0.09 0.00 2.34 0.00 0.00 41.12 43.50 1sym n ASP 61 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1sym h GLU 62 N 0.10 0.37 0.00 -0.67 4.81 0.48 -3.42 114.58 116.26 1sym h GLU 62 Ca 0.00 -0.27 -0.06 0.00 -0.13 0.00 0.00 59.36 58.90 1sym h GLU 62 Cb 0.15 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1sym h GLU 62 CO 0.00 0.90 -0.78 -3.47 -0.73 0.00 0.00 179.01 174.93 1sym n ASP 63 N -4.43 1.08 0.00 1.04 2.03 -1.19 -5.00 116.55 110.08 1sym n ASP 63 Ca -0.08 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1sym n ASP 63 Cb 0.48 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 1sym n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sym n GLY 64 N 2.69 1.67 2.87 0.27 0.00 -1.00 -4.78 105.19 106.91 1sym n GLY 64 Ca -0.10 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1sym n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sym n ASP 65 N 2.27 5.14 -4.24 1.61 2.03 -1.26 -2.95 116.55 119.15 1sym n ASP 65 Ca 0.00 -3.35 -0.13 0.00 0.52 0.00 0.00 54.79 51.83 1sym n ASP 65 Cb 0.00 -1.05 -0.10 0.00 -0.72 0.00 0.00 41.12 39.25 1sym n ASP 65 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1sym s GLY 66 N -1.50 1.14 -0.09 0.27 0.00 -1.26 -5.04 107.32 100.84 1sym s GLY 66 Ca 0.33 -1.55 -0.16 0.00 0.00 0.00 0.00 44.72 43.35 1sym s GLY 66 CO 0.01 -1.54 0.41 -1.83 0.00 0.00 0.00 173.10 170.15 1sym s GLU 67 N -3.86 4.18 0.30 2.90 -1.05 -1.26 -3.13 118.70 116.78 1sym s GLU 67 Ca 0.21 0.34 0.11 0.00 -0.15 0.00 0.00 54.97 55.48 1sym s GLU 67 Cb 0.05 -3.37 -0.05 0.00 -0.44 0.00 0.00 34.13 30.32 1sym s GLU 67 CO 0.02 0.34 -0.17 0.00 0.95 0.00 0.00 175.26 176.41 1sym n ASP 69 N -0.67 1.55 0.05 0.00 9.92 -1.26 -1.28 116.55 124.86 1sym n ASP 69 Ca -0.05 -2.15 -0.05 0.00 -0.53 0.00 0.00 54.79 52.01 1sym n ASP 69 Cb 0.61 -0.36 -0.10 0.00 -0.64 0.00 0.00 41.12 40.64 1sym n ASP 69 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 1sym h PHE 70 N -0.02 0.00 0.00 1.24 -5.15 -1.97 -3.13 116.94 107.91 1sym h PHE 70 Ca -0.22 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.39 1sym h PHE 70 Cb 0.97 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.11 1sym h PHE 70 CO 0.00 0.87 -0.86 -0.56 -2.00 0.00 0.00 178.31 175.77 1sym h GLN 71 N 0.00 0.00 -0.04 6.09 -0.00 -1.98 -2.59 115.11 116.59 1sym h GLN 71 Ca -0.09 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.49 1sym h GLN 71 Cb 1.75 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.23 1sym h GLN 71 CO 0.10 0.70 -0.23 1.05 -0.00 0.00 0.00 178.83 180.45 1sym h GLU 72 N 0.00 0.22 0.00 0.06 4.11 -1.96 -2.16 114.58 114.85 1sym h GLU 72 Ca -0.03 -0.19 -0.04 0.00 0.07 0.00 0.00 59.36 59.17 1sym h GLU 72 Cb 1.60 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.89 1sym h GLU 72 CO 0.09 0.86 -0.19 0.35 0.07 0.00 0.00 179.01 180.19 1sym h PHE 73 N -0.35 0.00 0.20 2.06 3.04 -1.65 -0.61 116.94 119.63 1sym h PHE 73 Ca -0.02 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1sym h PHE 73 Cb 0.91 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.42 1sym h PHE 73 CO 0.15 0.19 -0.09 0.52 -2.02 0.00 0.00 178.31 177.05 1sym h MET 74 N 0.00 -0.26 0.00 1.11 2.86 -1.29 -1.03 114.93 116.32 1sym h MET 74 Ca -0.00 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1sym h MET 74 Cb 0.42 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 1sym h MET 74 CO 0.02 0.06 -0.04 0.00 1.06 0.00 0.00 176.91 178.02 1sym h ALA 75 N 0.12 1.01 0.00 6.32 0.00 -1.17 -2.65 119.26 122.88 1sym h ALA 75 Ca -0.03 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1sym h ALA 75 Cb 0.44 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1sym h ALA 75 CO 0.04 0.05 -0.85 0.74 0.00 0.00 0.00 179.25 179.23 1sym h PHE 76 N 0.00 0.08 0.00 0.00 -1.00 -0.87 -2.51 116.94 112.64 1sym h PHE 76 Ca -0.00 -0.05 -0.11 0.00 2.81 0.00 0.00 57.97 60.63 1sym h PHE 76 Cb 0.58 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.12 1sym h PHE 76 CO 0.00 0.88 -0.51 0.28 -1.61 0.00 0.00 178.31 177.35 1sym h VAL 77 N 0.03 1.05 0.03 -0.55 2.07 -0.82 -3.09 116.25 114.96 1sym h VAL 77 Ca -0.02 -1.97 -0.04 0.00 0.82 0.00 0.00 66.70 65.49 1sym h VAL 77 Cb 1.49 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 1sym h VAL 77 CO 0.12 0.50 -0.17 0.77 0.02 0.00 0.00 177.57 178.80 1sym h SER 78 N 0.00 0.10 -0.62 0.57 4.64 -1.47 -2.63 113.55 114.14 1sym h SER 78 Ca -0.01 -0.98 0.11 0.00 -0.47 0.00 0.00 61.79 60.44 1sym h SER 78 Cb 1.13 -0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 63.11 1sym h SER 78 CO 0.07 1.08 0.20 0.24 -0.87 0.00 0.00 176.83 177.54 1sym h MET 79 N -0.86 0.34 -0.28 4.77 2.07 -1.52 0.55 114.93 120.00 1sym h MET 79 Ca -0.03 -0.02 -0.18 0.00 -2.07 0.00 0.00 59.70 57.40 1sym h MET 79 Cb 1.13 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.78 1sym h MET 79 CO 0.03 0.23 -0.51 -0.39 1.07 0.00 0.00 176.91 177.33 1sym h VAL 80 N 0.35 1.28 0.00 -2.22 -1.51 -1.66 0.54 116.25 113.03 1sym h VAL 80 Ca 0.32 -1.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.09 1sym h VAL 80 Cb 0.45 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 1sym h VAL 80 CO -0.36 0.55 0.00 0.41 -1.23 0.00 0.00 177.57 176.95 1sym n THR 81 N -4.05 0.11 -0.03 7.19 -1.04 -0.78 -2.76 114.28 112.92 1sym n THR 81 Ca -0.04 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1sym n THR 81 Cb 0.61 -0.67 0.00 0.00 -1.82 0.00 0.00 70.33 68.45 1sym n THR 81 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1sym n THR 82 N -1.10 0.00 0.10 12.58 -2.24 0.12 -4.67 114.28 119.06 1sym n THR 82 Ca 0.15 -0.38 -0.01 0.00 -2.27 0.00 0.00 64.05 61.54 1sym n THR 82 Cb 0.11 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 1sym n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sym h ALA 83 N 0.00 0.60 -3.00 6.98 0.00 0.26 -3.46 119.26 120.64 1sym h ALA 83 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1sym h ALA 83 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sym h ALA 83 CO 0.00 0.86 0.00 0.00 0.00 0.00 0.00 179.25 180.11 1sym n HIS 85 N -0.94 0.00 0.00 0.00 1.44 -1.11 -3.54 115.22 111.06 1sym n HIS 85 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1sym n HIS 85 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1sym n HIS 85 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1sym n GLU 86 N 0.00 0.00 0.00 -1.40 1.02 -1.26 -4.82 120.64 114.18 1sym n GLU 86 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1sym n GLU 86 Cb 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 31.44 31.36 1sym n GLU 86 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1sym n PHE 87 N 0.00 0.00 -1.52 -0.32 1.16 -1.26 -4.97 117.46 110.55 1sym n PHE 87 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 57.45 55.35 1sym n PHE 87 Cb 0.00 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 37.70 1sym n PHE 87 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 1sym n PHE 88 N 0.00 0.47 -0.65 2.97 3.72 -1.26 -4.46 117.46 118.25 1sym n PHE 88 Ca 0.00 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1sym n PHE 88 Cb 0.00 -1.44 0.00 0.00 -0.94 0.00 0.00 39.48 37.10 1sym n PHE 88 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1sym n GLU 89 N 6.99 0.08 -1.50 -1.08 4.07 -1.26 -5.03 120.64 122.92 1sym n GLU 89 Ca 0.60 -0.38 -0.42 0.00 -0.06 0.00 0.00 57.16 56.90 1sym n GLU 89 Cb 0.22 -0.67 -0.09 0.00 -0.06 0.00 0.00 31.44 30.84 1sym n GLU 89 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1sym n HIS 90 N -0.05 1.15 -0.90 4.31 -0.00 -1.26 -5.25 115.22 113.21 1sym n HIS 90 Ca 0.00 0.27 0.00 0.00 0.46 0.00 0.00 57.72 58.45 1sym n HIS 90 Cb 0.24 -2.51 0.00 0.00 -0.12 0.00 0.00 29.99 27.60 1sym n HIS 90 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89