#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ava s LYS 2 N 0.00 3.94 0.33 0.00 1.02 -1.26 -4.81 119.74 118.96 2ava s LYS 2 Ca 0.00 1.70 0.09 0.00 0.02 0.00 0.00 55.97 57.78 2ava s LYS 2 Cb 0.00 -2.50 0.83 0.00 -0.52 0.00 0.00 37.83 35.64 2ava s LYS 2 CO 0.00 -0.38 1.79 0.87 -0.92 0.00 0.00 175.35 176.71 2ava h LYS 3 N 2.30 0.66 -0.69 1.68 1.57 -2.02 0.52 116.57 120.57 2ava h LYS 3 Ca -0.49 -0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.36 2ava h LYS 3 Cb 1.23 -0.15 -0.08 0.00 0.08 0.00 0.00 32.23 33.32 2ava h LYS 3 CO 0.61 0.43 0.31 1.05 -0.57 0.00 0.00 179.45 181.29 2ava h GLU 4 N 0.68 0.50 0.03 3.15 4.11 -1.99 0.17 114.58 121.22 2ava h GLU 4 Ca 0.56 -0.03 -0.15 0.00 0.07 0.00 0.00 59.36 59.82 2ava h GLU 4 Cb 1.00 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.14 2ava h GLU 4 CO -0.34 0.33 -0.59 1.15 0.07 0.00 0.00 179.01 179.64 2ava h THR 5 N 0.52 1.47 -0.80 -1.06 2.02 -1.36 -2.89 112.91 110.81 2ava h THR 5 Ca 0.35 -2.16 0.09 0.00 0.77 0.00 0.00 66.41 65.46 2ava h THR 5 Cb 0.43 2.76 -0.07 0.00 -1.74 0.00 0.00 68.15 69.53 2ava h THR 5 CO -0.31 0.62 0.45 0.40 0.37 0.00 0.00 175.52 177.05 2ava h ILE 6 N -0.23 0.90 -0.40 3.11 2.04 -0.62 0.12 117.51 122.43 2ava h ILE 6 Ca -0.08 -0.26 -0.11 0.00 1.00 0.00 0.00 64.86 65.41 2ava h ILE 6 Cb 1.34 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 2ava h ILE 6 CO 0.11 0.14 -0.20 0.44 0.00 0.00 0.00 178.15 178.64 2ava h ASP 7 N 0.76 0.79 0.58 1.72 3.32 -0.76 -2.38 116.42 120.45 2ava h ASP 7 Ca 0.39 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 2ava h ASP 7 Cb 0.36 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.70 2ava h ASP 7 CO -0.25 0.98 -0.28 0.11 -1.72 0.00 0.00 179.24 178.08 2ava h LYS 8 N 0.69 -0.75 -0.44 3.56 1.79 -1.02 -2.71 116.57 117.68 2ava h LYS 8 Ca 0.10 0.05 0.09 0.00 -2.18 0.00 0.00 60.65 58.71 2ava h LYS 8 Cb 0.71 0.17 -0.08 0.00 -1.58 0.00 0.00 32.23 31.44 2ava h LYS 8 CO 0.05 -0.44 -0.11 0.28 -1.08 0.00 0.00 179.45 178.15 2ava h VAL 9 N -1.03 0.56 -0.60 0.50 2.07 -1.06 0.16 116.25 116.85 2ava h VAL 9 Ca -0.08 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.61 2ava h VAL 9 Cb 0.66 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2ava h VAL 9 CO 0.13 0.00 0.43 0.77 0.02 0.00 0.00 177.57 178.92 2ava h SER 10 N -0.00 0.00 -0.21 0.57 4.64 -1.44 -0.21 113.55 116.91 2ava h SER 10 Ca 0.21 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.38 2ava h SER 10 Cb 0.32 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2ava h SER 10 CO -0.46 0.00 -0.45 -0.78 -0.87 0.00 0.00 176.83 174.28 2ava h ASP 11 N 0.00 0.75 -0.98 4.97 3.58 -0.35 -2.99 116.42 121.40 2ava h ASP 11 Ca 0.29 -0.56 0.17 0.00 0.42 0.00 0.00 57.03 57.35 2ava h ASP 11 Cb 1.14 -0.22 -0.10 0.00 1.72 0.00 0.00 39.33 41.87 2ava h ASP 11 CO -0.00 1.17 0.59 0.40 -2.88 0.00 0.00 179.24 178.52 2ava h ILE 12 N 0.37 0.75 -0.36 2.25 5.03 -0.49 0.27 117.51 125.34 2ava h ILE 12 Ca 0.00 -0.27 -0.14 0.00 -0.12 0.00 0.00 64.86 64.33 2ava h ILE 12 Cb 1.06 -0.11 -0.01 0.00 -3.03 0.00 0.00 36.82 34.73 2ava h ILE 12 CO 0.10 0.14 -0.34 0.58 -0.68 0.00 0.00 178.15 177.95 2ava h VAL 13 N 0.79 1.28 -0.59 1.67 2.07 -1.51 -3.10 116.25 116.87 2ava h VAL 13 Ca 0.55 -1.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 2ava h VAL 13 Cb 0.78 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 2ava h VAL 13 CO -0.36 0.50 0.20 0.11 0.02 0.00 0.00 177.57 178.04 2ava h LYS 14 N 0.68 0.90 -0.03 1.57 1.57 -0.87 -2.26 116.57 118.13 2ava h LYS 14 Ca 0.07 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2ava h LYS 14 Cb 0.89 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 2ava h LYS 14 CO 0.08 0.80 0.03 0.93 -0.57 0.00 0.00 179.45 180.72 2ava h GLU 15 N 0.82 0.00 -0.93 3.15 4.39 -1.06 0.31 114.58 121.27 2ava h GLU 15 Ca 0.19 0.00 0.14 0.00 0.34 0.00 0.00 59.36 60.03 2ava h GLU 15 Cb 0.26 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.82 2ava h GLU 15 CO -0.01 0.00 0.54 0.87 -1.16 0.00 0.00 179.01 179.25 2ava h LYS 16 N 0.00 0.77 0.00 2.33 1.79 -1.33 -2.72 116.57 117.40 2ava h LYS 16 Ca 0.01 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 2ava h LYS 16 Cb 0.07 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 30.50 2ava h LYS 16 CO -0.00 0.51 -0.32 1.47 -1.08 0.00 0.00 179.45 180.02 2ava n LEU 17 N -4.75 1.75 -2.96 2.94 -0.00 -0.79 -5.04 117.00 108.15 2ava n LEU 17 Ca 0.19 -2.67 -0.11 0.00 -0.00 0.00 0.00 56.01 53.42 2ava n LEU 17 Cb 0.42 -0.31 0.01 0.00 -0.00 0.00 0.00 43.42 43.55 2ava n LEU 17 CO 0.24 0.73 0.04 0.00 -0.00 0.00 0.00 177.39 178.40 2ava n ALA 18 N -0.85 -2.88 -4.19 1.47 0.00 0.69 -5.05 120.51 109.70 2ava n ALA 18 Ca 0.12 0.94 -0.18 0.00 0.00 0.00 0.00 53.44 54.32 2ava n ALA 18 Cb 0.72 -3.34 -0.04 0.00 0.00 0.00 0.00 19.45 16.79 2ava n ALA 18 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ava n LEU 19 N -0.49 0.00 0.00 0.00 4.32 0.77 -4.88 117.00 116.72 2ava n LEU 19 Ca 0.08 -1.99 0.00 0.00 -0.02 0.00 0.00 56.01 54.08 2ava n LEU 19 Cb 0.49 0.56 0.00 0.00 -1.62 0.00 0.00 43.42 42.85 2ava n LEU 19 CO 0.50 -0.30 0.00 0.61 -1.22 0.00 0.00 177.39 176.98 2ava n GLY 20 N 0.53 0.70 0.00 -0.72 0.00 -1.26 -4.62 105.19 99.81 2ava n GLY 20 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 2ava n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ava h ALA 21 N 0.00 0.00 -0.17 4.61 0.00 -2.00 -3.43 119.26 118.27 2ava h ALA 21 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 2ava h ALA 21 Cb 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2ava h ALA 21 CO 0.00 0.01 -0.28 -0.25 0.00 0.00 0.00 179.25 178.74 2ava n ASP 22 N -2.30 2.12 -4.38 0.00 9.92 -1.26 -5.01 116.55 115.64 2ava n ASP 22 Ca -0.00 -3.81 -0.29 0.00 -0.53 0.00 0.00 54.79 50.16 2ava n ASP 22 Cb 0.01 -0.58 -0.13 0.00 -0.64 0.00 0.00 41.12 39.78 2ava n ASP 22 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2ava s VAL 23 N -3.23 2.24 0.07 2.53 1.01 -1.26 -5.13 120.40 116.63 2ava s VAL 23 Ca 0.41 -1.72 -0.22 0.00 0.00 0.00 0.00 61.98 60.45 2ava s VAL 23 Cb 0.38 -1.98 -0.06 0.00 0.00 0.00 0.00 36.38 34.72 2ava s VAL 23 CO -0.03 0.11 0.66 -0.69 0.00 0.00 0.00 175.10 175.15 2ava s VAL 24 N -1.04 4.70 -0.12 2.92 1.01 -1.26 -4.69 120.40 121.93 2ava s VAL 24 Ca 0.14 1.42 -0.06 0.00 0.00 0.00 0.00 61.98 63.47 2ava s VAL 24 Cb -0.10 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2ava s VAL 24 CO 0.06 0.47 0.11 0.54 0.00 0.00 0.00 175.10 176.27 2ava s VAL 25 N -0.64 5.21 -0.02 2.92 0.11 -1.26 -5.06 120.40 121.66 2ava s VAL 25 Ca 0.33 0.10 -0.05 0.00 -2.93 0.00 0.00 61.98 59.43 2ava s VAL 25 Cb -0.20 -3.27 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 2ava s VAL 25 CO 0.21 0.59 0.11 0.42 -3.33 0.00 0.00 175.10 173.10 2ava s THR 26 N -0.80 0.04 -0.58 5.04 -4.23 -1.26 -5.03 115.64 108.83 2ava s THR 26 Ca 0.13 -0.35 0.25 0.00 -1.18 0.00 0.00 61.69 60.54 2ava s THR 26 Cb -0.12 -0.28 0.31 0.00 1.34 0.00 0.00 72.50 73.75 2ava s THR 26 CO 0.03 -0.19 1.71 0.00 -0.54 0.00 0.00 174.62 175.63 2ava h ALA 27 N 5.20 1.00 -0.01 3.99 0.00 -1.95 -3.05 119.26 124.44 2ava h ALA 27 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2ava h ALA 27 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2ava h ALA 27 CO 0.42 0.00 -0.38 -3.47 0.00 0.00 0.00 179.25 175.82 2ava n ASP 28 N -2.62 0.96 -4.56 0.00 2.03 -1.26 -0.09 116.55 111.00 2ava n ASP 28 Ca 0.05 -0.77 -0.23 0.00 0.52 0.00 0.00 54.79 54.36 2ava n ASP 28 Cb 0.46 0.24 -0.06 0.00 -0.72 0.00 0.00 41.12 41.04 2ava n ASP 28 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2ava s SER 29 N -2.66 4.63 -0.22 1.67 0.01 -1.16 -4.81 113.70 111.16 2ava s SER 29 Ca 0.19 -0.24 -0.36 0.00 1.31 0.00 0.00 55.95 56.85 2ava s SER 29 Cb 0.18 -2.55 -0.13 0.00 0.21 0.00 0.00 66.02 63.74 2ava s SER 29 CO 0.59 -3.17 1.92 -0.62 0.41 0.00 0.00 173.24 172.38 2ava n GLU 30 N 8.87 1.57 0.06 12.44 1.02 -1.26 -4.26 120.64 139.08 2ava n GLU 30 Ca 0.41 0.54 -0.06 0.00 -0.02 0.00 0.00 57.16 58.03 2ava n GLU 30 Cb 0.46 -2.44 -0.11 0.00 -0.02 0.00 0.00 31.44 29.34 2ava n GLU 30 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2ava h PHE 31 N 9.50 0.00 -1.20 -0.32 -0.00 -1.90 -3.45 116.94 119.57 2ava h PHE 31 Ca -0.42 0.00 -0.66 0.00 -0.00 0.00 0.00 57.97 56.88 2ava h PHE 31 Cb 1.30 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.23 2ava h PHE 31 CO 0.87 0.95 1.41 0.43 -0.00 0.00 0.00 178.31 181.96 2ava n SER 32 N -3.29 2.27 -4.78 -0.68 7.64 -1.26 -4.90 113.62 108.62 2ava n SER 32 Ca -0.02 0.42 -0.37 0.00 1.01 0.00 0.00 58.87 59.91 2ava n SER 32 Cb 0.93 -1.29 -0.03 0.00 -1.01 0.00 0.00 64.21 62.82 2ava n SER 32 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2ava s LYS 33 N 6.13 3.98 -0.44 1.43 1.02 -1.26 -5.00 119.74 125.60 2ava s LYS 33 Ca 1.08 1.63 -0.22 0.00 0.02 0.00 0.00 55.97 58.49 2ava s LYS 33 Cb -0.81 -2.48 0.02 0.00 -0.52 0.00 0.00 37.83 34.05 2ava s LYS 33 CO 0.48 -0.33 0.70 -1.17 -0.92 0.00 0.00 175.35 174.11 2ava s LEU 34 N -2.82 4.40 0.00 3.17 0.20 -1.26 -4.61 118.68 117.77 2ava s LEU 34 Ca 0.60 -0.25 0.00 0.00 0.69 0.00 0.00 54.13 55.17 2ava s LEU 34 Cb -0.25 -2.82 0.00 0.00 -0.43 0.00 0.00 46.19 42.69 2ava s LEU 34 CO 0.31 -0.84 0.00 0.61 -0.29 0.00 0.00 176.35 176.14 2ava n GLY 35 N 5.02 -1.29 3.62 7.98 0.00 -1.26 -5.12 105.19 114.14 2ava n GLY 35 Ca -0.00 0.44 -0.34 0.00 0.00 0.00 0.00 46.02 46.12 2ava n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ava s ALA 36 N -1.00 3.21 0.21 4.61 0.00 -1.26 -5.11 121.76 122.41 2ava s ALA 36 Ca 0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 51.96 51.08 2ava s ALA 36 Cb 0.00 -1.54 -0.06 0.00 0.00 0.00 0.00 23.12 21.52 2ava s ALA 36 CO 0.00 0.44 0.49 0.16 0.00 0.00 0.00 175.76 176.85 2ava s ASP 37 N -0.42 6.55 -1.20 0.00 -4.77 -1.26 -4.15 116.67 111.43 2ava s ASP 37 Ca 0.08 0.77 -0.04 0.00 -3.30 0.00 0.00 52.55 50.06 2ava s ASP 37 Cb -0.12 -2.16 0.03 0.00 -1.09 0.00 0.00 42.92 39.57 2ava s ASP 37 CO 0.02 -0.04 0.24 -1.54 0.70 0.00 0.00 175.17 174.55 2ava n SER 38 N -0.17 -4.11 -0.02 2.11 3.41 -1.26 -4.87 113.62 108.72 2ava n SER 38 Ca -0.01 -0.07 -0.01 0.00 -0.26 0.00 0.00 58.87 58.52 2ava n SER 38 Cb 0.52 -3.43 -0.00 0.00 -0.26 0.00 0.00 64.21 61.04 2ava n SER 38 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2ava n LEU 39 N -3.28 0.39 -1.42 1.04 7.94 -1.26 -4.60 117.00 115.81 2ava n LEU 39 Ca -0.10 0.31 0.05 0.00 -1.11 0.00 0.00 56.01 55.16 2ava n LEU 39 Cb 0.59 -0.58 0.31 0.00 0.53 0.00 0.00 43.42 44.27 2ava n LEU 39 CO 0.33 -0.49 0.82 0.47 -1.11 0.00 0.00 177.39 177.41 2ava n ASP 40 N -2.78 4.57 -0.03 1.96 9.92 -1.26 -4.54 116.55 124.39 2ava n ASP 40 Ca -0.02 -3.08 -0.15 0.00 -0.53 0.00 0.00 54.79 51.02 2ava n ASP 40 Cb 0.06 -0.63 -0.11 0.00 -0.64 0.00 0.00 41.12 39.80 2ava n ASP 40 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2ava h THR 41 N 2.61 1.53 -0.86 -3.53 2.02 -1.95 -3.04 112.91 109.69 2ava h THR 41 Ca 0.06 -1.88 0.21 0.00 0.77 0.00 0.00 66.41 65.58 2ava h THR 41 Cb 1.79 2.69 -0.05 0.00 -1.74 0.00 0.00 68.15 70.84 2ava h THR 41 CO 0.41 0.51 0.59 0.58 0.37 0.00 0.00 175.52 177.98 2ava h VAL 42 N -0.47 0.65 0.14 3.16 2.07 -1.87 0.69 116.25 120.61 2ava h VAL 42 Ca -0.03 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2ava h VAL 42 Cb 0.96 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2ava h VAL 42 CO 0.05 0.04 -0.07 -0.33 0.02 0.00 0.00 177.57 177.29 2ava h GLU 43 N 0.25 -0.18 0.24 1.57 4.39 -1.87 -1.86 114.58 117.11 2ava h GLU 43 Ca 0.43 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.14 2ava h GLU 43 Cb 1.31 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.99 2ava h GLU 43 CO -0.11 0.27 -0.17 0.82 -1.16 0.00 0.00 179.01 178.66 2ava h ILE 44 N -0.75 0.63 -0.45 3.13 1.08 -1.20 -1.63 117.51 118.33 2ava h ILE 44 Ca -0.02 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.50 2ava h ILE 44 Cb 0.53 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 34.88 2ava h ILE 44 CO 0.03 0.00 0.30 1.62 -0.69 0.00 0.00 178.15 179.41 2ava h VAL 45 N -0.41 0.98 -0.52 1.67 3.04 -1.01 -1.43 116.25 118.57 2ava h VAL 45 Ca -0.02 -0.14 -0.10 0.00 -1.01 0.00 0.00 66.70 65.43 2ava h VAL 45 Cb 0.36 0.55 -0.02 0.00 -2.01 0.00 0.00 31.29 30.17 2ava h VAL 45 CO -0.00 0.07 -0.09 0.24 -1.01 0.00 0.00 177.57 176.78 2ava h MET 46 N 0.40 0.95 0.29 4.17 2.86 -0.74 -1.31 114.93 121.55 2ava h MET 46 Ca 0.19 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2ava h MET 46 Cb 0.26 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.86 2ava h MET 46 CO -0.05 0.99 -0.14 -0.91 1.06 0.00 0.00 176.91 177.86 2ava h ASN 47 N 0.85 -0.34 0.17 1.22 4.21 -0.33 0.18 115.58 121.54 2ava h ASN 47 Ca 0.14 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.64 2ava h ASN 47 Cb 0.63 0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.92 2ava h ASN 47 CO 0.04 -0.23 -0.08 -0.07 -1.29 0.00 0.00 177.43 175.81 2ava h LEU 48 N -0.41 -0.19 -2.05 1.61 3.38 -1.48 0.26 115.31 116.44 2ava h LEU 48 Ca -0.04 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.90 2ava h LEU 48 Cb 0.32 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2ava h LEU 48 CO 0.07 -0.05 0.09 -0.08 0.09 0.00 0.00 178.44 178.55 2ava h GLU 49 N -0.31 0.00 0.03 1.13 4.81 -1.20 -0.47 114.58 118.58 2ava h GLU 49 Ca -0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2ava h GLU 49 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2ava h GLU 49 CO 0.04 0.00 -0.02 1.49 -0.73 0.00 0.00 179.01 179.79 2ava h GLU 50 N 0.00 -0.04 0.09 1.92 4.57 -0.16 -1.03 114.58 119.93 2ava h GLU 50 Ca 0.06 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2ava h GLU 50 Cb 0.24 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.79 2ava h GLU 50 CO -0.00 -0.03 -0.53 1.49 -1.18 0.00 0.00 179.01 178.76 2ava h GLU 51 N -0.88 -0.71 0.00 1.92 4.57 -0.39 0.13 114.58 119.22 2ava h GLU 51 Ca -0.00 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2ava h GLU 51 Cb 0.03 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 2ava h GLU 51 CO 0.01 -0.47 0.00 0.74 -1.18 0.00 0.00 179.01 178.10 2ava h PHE 52 N -0.74 0.00 -2.80 0.92 0.04 -1.27 -3.46 116.94 109.63 2ava h PHE 52 Ca -0.00 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.41 2ava h PHE 52 Cb 0.75 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.90 2ava h PHE 52 CO -0.47 0.00 -0.48 0.41 -0.60 0.00 0.00 178.31 177.18 2ava n GLY 53 N -0.71 -0.38 0.23 -1.45 0.00 0.44 -4.81 105.19 98.52 2ava n GLY 53 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 2ava n GLY 53 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ava n ILE 54 N -4.07 0.00 -4.66 -0.61 -5.35 -0.44 -4.57 119.36 99.67 2ava n ILE 54 Ca -0.20 -0.11 -0.25 0.00 -0.27 0.00 0.00 62.75 61.92 2ava n ILE 54 Cb 0.65 -1.00 -0.14 0.00 -1.74 0.00 0.00 39.64 37.41 2ava n ILE 54 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2ava s ASN 55 N -1.22 2.43 0.04 7.28 2.20 -1.26 -4.70 114.94 119.71 2ava s ASN 55 Ca 0.04 -0.51 -0.26 0.00 -0.94 0.00 0.00 52.86 51.19 2ava s ASN 55 Cb -0.00 -0.21 0.06 0.00 -2.00 0.00 0.00 41.25 39.11 2ava s ASN 55 CO 0.02 0.16 0.61 0.54 -2.94 0.00 0.00 177.10 175.50 2ava s VAL 56 N -0.78 0.01 0.29 3.54 0.11 -1.26 -4.91 120.40 117.40 2ava s VAL 56 Ca 0.07 -0.07 0.10 0.00 -2.93 0.00 0.00 61.98 59.16 2ava s VAL 56 Cb -0.09 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.72 2ava s VAL 56 CO 0.02 -0.04 -0.06 -0.62 -3.33 0.00 0.00 175.10 171.07 2ava s ASP 57 N -1.90 4.16 0.30 3.54 -1.08 -1.26 -5.03 116.67 115.41 2ava s ASP 57 Ca -0.06 -0.84 0.02 0.00 -0.52 0.00 0.00 52.55 51.15 2ava s ASP 57 Cb -0.01 -0.60 0.57 0.00 -1.46 0.00 0.00 42.92 41.42 2ava s ASP 57 CO -0.01 -0.04 1.89 -0.33 0.52 0.00 0.00 175.17 177.21 2ava h GLU 58 N 1.99 0.95 0.00 4.34 5.08 -2.03 0.79 114.58 125.70 2ava h GLU 58 Ca -0.43 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 2ava h GLU 58 Cb 1.25 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 2ava h GLU 58 CO 0.62 0.63 -0.05 -0.44 -1.00 0.00 0.00 179.01 178.77 2ava h ASP 59 N 0.98 0.00 0.32 1.42 5.19 -2.00 -0.51 116.42 121.82 2ava h ASP 59 Ca 0.41 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.82 2ava h ASP 59 Cb 0.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.82 2ava h ASP 59 CO -0.17 0.05 -0.85 1.17 -3.12 0.00 0.00 179.24 176.31 2ava n LYS 60 N -4.14 0.11 -2.10 3.56 3.00 0.10 -4.20 118.16 114.49 2ava n LYS 60 Ca -0.03 -0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.09 2ava n LYS 60 Cb 0.14 -1.53 0.03 0.00 0.00 0.00 0.00 35.03 33.66 2ava n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ava n ALA 61 N -1.62 4.59 -0.02 3.14 0.00 -0.19 -4.69 120.51 121.71 2ava n ALA 61 Ca 0.04 -3.61 -0.03 0.00 0.00 0.00 0.00 53.44 49.85 2ava n ALA 61 Cb 0.37 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 2ava n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ava n GLN 62 N -0.70 1.48 -2.58 0.00 -0.00 -0.44 -4.78 117.38 110.35 2ava n GLN 62 Ca 0.37 0.01 -0.24 0.00 -0.00 0.00 0.00 57.00 57.15 2ava n GLN 62 Cb 0.94 -1.09 -0.00 0.00 -0.00 0.00 0.00 30.24 30.09 2ava n GLN 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2ava n ASP 63 N -2.42 4.05 -4.76 2.61 2.03 -1.26 -4.90 116.55 111.90 2ava n ASP 63 Ca -0.07 -3.54 -0.39 0.00 0.52 0.00 0.00 54.79 51.32 2ava n ASP 63 Cb 0.60 -0.49 -0.05 0.00 -0.72 0.00 0.00 41.12 40.45 2ava n ASP 63 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ava s ILE 64 N -4.94 4.84 0.12 5.18 -1.09 -1.26 -5.08 121.20 118.98 2ava s ILE 64 Ca 0.45 1.35 -0.02 0.00 -2.23 0.00 0.00 60.65 60.19 2ava s ILE 64 Cb 0.39 -3.98 0.03 0.00 -1.58 0.00 0.00 42.46 37.32 2ava s ILE 64 CO -0.14 0.42 0.15 -1.20 -1.23 0.00 0.00 174.94 172.93 2ava n SER 65 N 2.66 -0.28 -3.51 3.58 7.64 -1.26 -4.89 113.62 117.56 2ava n SER 65 Ca -0.06 -0.94 -0.21 0.00 1.01 0.00 0.00 58.87 58.68 2ava n SER 65 Cb 0.51 -0.12 0.19 0.00 -1.01 0.00 0.00 64.21 63.77 2ava n SER 65 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2ava n THR 66 N -2.36 0.00 -0.28 0.44 5.66 -1.26 -4.00 114.28 112.47 2ava n THR 66 Ca 0.02 -0.03 0.29 0.00 -3.05 0.00 0.00 64.05 61.27 2ava n THR 66 Cb 0.07 -0.63 0.65 0.00 -1.55 0.00 0.00 70.33 68.87 2ava n THR 66 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 2ava h ILE 67 N -2.96 0.50 0.05 1.09 2.04 -1.65 0.02 117.51 116.60 2ava h ILE 67 Ca -0.28 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.55 2ava h ILE 67 Cb 0.90 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 2ava h ILE 67 CO 0.18 0.03 -0.38 1.56 0.00 0.00 0.00 178.15 179.53 2ava h GLN 68 N 0.15 -0.55 -0.02 2.37 1.08 -0.80 0.70 115.11 118.05 2ava h GLN 68 Ca 0.54 0.04 -0.21 0.00 -1.45 0.00 0.00 58.65 57.57 2ava h GLN 68 Cb 1.82 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 29.37 2ava h GLN 68 CO -0.11 -0.36 -0.87 0.37 -0.95 0.00 0.00 178.83 176.90 2ava h GLN 69 N -0.57 0.34 -0.01 1.46 -0.00 -1.48 -3.14 115.11 111.71 2ava h GLN 69 Ca 0.04 -0.34 0.03 0.00 -0.00 0.00 0.00 58.65 58.38 2ava h GLN 69 Cb 0.63 0.09 -0.04 0.00 0.00 0.00 0.00 27.48 28.16 2ava h GLN 69 CO -0.27 1.02 -0.19 0.00 0.00 0.00 0.00 178.83 179.39 2ava h ALA 70 N 0.86 -0.23 -0.76 3.38 0.00 -0.67 -1.15 119.26 120.68 2ava h ALA 70 Ca -0.06 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2ava h ALA 70 Cb 1.49 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 2ava h ALA 70 CO 0.14 -0.69 0.49 0.00 0.00 0.00 0.00 179.25 179.20 2ava h ALA 71 N 0.60 0.98 -0.98 0.00 0.00 -0.95 -2.13 119.26 116.79 2ava h ALA 71 Ca 0.06 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2ava h ALA 71 Cb 0.39 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2ava h ALA 71 CO -0.19 0.33 0.64 0.22 0.00 0.00 0.00 179.25 180.25 2ava h ASP 72 N 0.99 1.02 0.66 0.00 1.82 -1.37 -1.46 116.42 118.08 2ava h ASP 72 Ca 0.29 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.90 2ava h ASP 72 Cb -0.05 -0.22 0.01 0.00 0.68 0.00 0.00 39.33 39.75 2ava h ASP 72 CO -0.09 0.66 -0.32 0.58 -1.61 0.00 0.00 179.24 178.47 2ava h VAL 73 N 1.17 0.30 -0.64 2.25 2.07 -0.56 -2.77 116.25 118.06 2ava h VAL 73 Ca 0.42 -0.14 0.15 0.00 0.82 0.00 0.00 66.70 67.95 2ava h VAL 73 Cb 0.14 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 2ava h VAL 73 CO -0.16 0.02 0.44 0.40 0.02 0.00 0.00 177.57 178.29 2ava h ILE 74 N -0.99 0.78 -0.09 4.57 5.03 -1.25 -1.82 117.51 123.74 2ava h ILE 74 Ca -0.09 -0.08 0.03 0.00 -0.12 0.00 0.00 64.86 64.60 2ava h ILE 74 Cb 0.71 0.52 -0.03 0.00 -3.03 0.00 0.00 36.82 34.99 2ava h ILE 74 CO 0.15 0.04 -0.11 -0.33 -0.68 0.00 0.00 178.15 177.22 2ava h GLU 75 N 0.24 -0.14 -0.65 2.37 5.08 -0.99 -1.17 114.58 119.33 2ava h GLU 75 Ca 0.31 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2ava h GLU 75 Cb 0.89 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 2ava h GLU 75 CO -0.06 -0.09 0.42 0.78 -1.00 0.00 0.00 179.01 179.05 2ava h GLY 76 N -0.14 0.92 2.00 -3.84 0.00 -1.22 -1.56 103.07 99.23 2ava h GLY 76 Ca 0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2ava h GLY 76 CO -0.17 0.35 -0.05 1.41 0.00 0.00 0.00 176.54 178.08 2ava h LEU 77 N 0.88 0.00 0.00 3.11 3.38 -1.28 -0.42 115.31 120.98 2ava h LEU 77 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2ava h LEU 77 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2ava h LEU 77 CO -0.05 0.05 -0.13 0.18 0.09 0.00 0.00 178.44 178.57 2ava n LEU 78 N -3.38 0.27 -0.11 1.67 4.77 -0.48 -0.03 117.00 119.71 2ava n LEU 78 Ca -0.02 0.40 -0.11 0.00 -0.03 0.00 0.00 56.01 56.25 2ava n LEU 78 Cb 0.18 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 2ava n LEU 78 CO 0.26 -0.01 0.72 -0.33 -1.33 0.00 0.00 177.39 176.70 2ava h GLU 79 N 0.00 0.60 0.00 3.23 4.39 -0.87 -3.34 114.58 118.59 2ava h GLU 79 Ca 0.00 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.47 2ava h GLU 79 Cb 0.55 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2ava h GLU 79 CO 0.00 0.79 -1.06 0.36 -1.16 0.00 0.00 179.01 177.94 2ava n LYS 80 N -4.46 0.66 -3.84 2.33 -0.00 -1.24 -4.85 118.16 106.75 2ava n LYS 80 Ca -0.03 -0.03 -0.28 0.00 -0.00 0.00 0.00 58.31 57.97 2ava n LYS 80 Cb 0.32 -1.04 -0.12 0.00 -0.00 0.00 0.00 35.03 34.19 2ava n LYS 80 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2ava s LYS 81 N -2.15 2.14 0.00 -1.58 2.47 0.95 -5.13 119.74 116.45 2ava s LYS 81 Ca -0.01 -3.02 0.30 0.00 -1.56 0.00 0.00 55.97 51.68 2ava s LYS 81 Cb 0.02 -3.11 1.57 0.00 -1.46 0.00 0.00 37.83 34.85 2ava s LYS 81 CO 0.14 -1.27 2.04 0.00 0.16 0.00 0.00 175.35 176.42