#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 4.05 0.32 0.00 -0.14 -1.26 -4.84 119.74 117.87 2ava s LYS 2 Ca 0.00 1.97 0.07 0.00 -1.36 0.00 0.00 55.97 56.65 2ava s LYS 2 Cb 0.00 -2.74 0.76 0.00 -1.68 0.00 0.00 37.83 34.17 2ava s LYS 2 CO 0.00 -0.36 1.81 0.87 -0.76 0.00 0.00 175.35 176.91 2ava h LYS 3 N 2.73 0.73 -0.86 1.68 6.56 -2.01 0.07 116.57 125.47 2ava h LYS 3 Ca -0.49 -0.04 0.15 0.00 -1.06 0.00 0.00 60.65 59.20 2ava h LYS 3 Cb 1.24 -0.16 -0.09 0.00 -0.57 0.00 0.00 32.23 32.64 2ava h LYS 3 CO 0.63 0.48 0.45 1.05 -2.06 0.00 0.00 179.45 180.00 2ava h GLU 4 N 0.75 0.62 0.04 3.15 4.11 -2.00 -0.04 114.58 121.21 2ava h GLU 4 Ca 0.54 -0.04 -0.23 0.00 0.07 0.00 0.00 59.36 59.70 2ava h GLU 4 Cb 0.85 -0.14 0.02 0.00 0.50 0.00 0.00 28.75 29.98 2ava h GLU 4 CO -0.31 0.41 -0.94 1.15 0.07 0.00 0.00 179.01 179.39 2ava h THR 5 N 0.64 1.34 -0.87 -1.06 2.02 -1.39 -2.42 112.91 111.16 2ava h THR 5 Ca 0.47 -2.26 0.10 0.00 0.77 0.00 0.00 66.41 65.48 2ava h THR 5 Cb 0.66 2.58 -0.07 0.00 -1.74 0.00 0.00 68.15 69.58 2ava h THR 5 CO -0.36 0.68 0.52 0.40 0.37 0.00 0.00 175.52 177.13 2ava h ILE 6 N 0.16 0.93 -0.05 3.11 2.04 -0.42 0.18 117.51 123.47 2ava h ILE 6 Ca -0.13 -0.30 -0.23 0.00 1.00 0.00 0.00 64.86 65.20 2ava h ILE 6 Cb 1.63 -0.01 0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2ava h ILE 6 CO 0.18 0.16 -0.90 0.44 0.00 0.00 0.00 178.15 178.03 2ava h ASP 7 N 0.87 0.74 0.76 1.72 3.32 -1.10 -2.75 116.42 119.98 2ava h ASP 7 Ca 0.42 -0.55 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 2ava h ASP 7 Cb 0.36 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.69 2ava h ASP 7 CO -0.24 1.34 -0.37 0.11 -1.72 0.00 0.00 179.24 178.36 2ava h LYS 8 N 0.36 -0.99 -0.26 3.56 1.79 -0.82 -2.30 116.57 117.92 2ava h LYS 8 Ca -0.08 0.07 0.06 0.00 -2.18 0.00 0.00 60.65 58.52 2ava h LYS 8 Cb 1.53 0.22 -0.07 0.00 -1.58 0.00 0.00 32.23 32.34 2ava h LYS 8 CO 0.17 -0.64 -0.17 0.28 -1.08 0.00 0.00 179.45 178.01 2ava h VAL 9 N -1.21 0.52 -0.63 0.50 2.07 -0.80 0.62 116.25 117.32 2ava h VAL 9 Ca -0.10 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.60 2ava h VAL 9 Cb 0.80 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 2ava h VAL 9 CO 0.17 0.00 0.47 0.77 0.02 0.00 0.00 177.57 179.00 2ava h SER 10 N -0.15 0.00 -0.17 0.57 4.64 -1.51 -0.01 113.55 116.92 2ava h SER 10 Ca 0.14 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.31 2ava h SER 10 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2ava h SER 10 CO -0.35 0.00 -0.47 -0.78 -0.87 0.00 0.00 176.83 174.36 2ava h ASP 11 N 0.00 0.70 -0.95 4.97 1.82 -0.30 -2.99 116.42 119.68 2ava h ASP 11 Ca 0.30 -0.59 0.19 0.00 -0.39 0.00 0.00 57.03 56.54 2ava h ASP 11 Cb 1.23 -0.20 -0.08 0.00 0.68 0.00 0.00 39.33 40.95 2ava h ASP 11 CO -0.00 1.17 0.61 0.40 -1.61 0.00 0.00 179.24 179.80 2ava h ILE 12 N 0.28 0.71 -0.14 2.25 5.03 -0.34 0.16 117.51 125.46 2ava h ILE 12 Ca -0.01 -0.21 -0.19 0.00 -0.12 0.00 0.00 64.86 64.33 2ava h ILE 12 Cb 1.09 0.06 -0.00 0.00 -3.03 0.00 0.00 36.82 34.94 2ava h ILE 12 CO 0.10 0.11 -0.69 0.58 -0.68 0.00 0.00 178.15 177.57 2ava h VAL 13 N 0.60 1.33 -0.43 1.67 2.07 -1.50 -3.19 116.25 116.79 2ava h VAL 13 Ca 0.52 -1.98 -0.13 0.00 0.82 0.00 0.00 66.70 65.92 2ava h VAL 13 Cb 1.01 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 2ava h VAL 13 CO -0.26 0.61 -0.24 0.11 0.02 0.00 0.00 177.57 177.81 2ava h LYS 14 N 0.42 0.92 -0.09 1.57 1.57 -0.75 -2.79 116.57 117.42 2ava h LYS 14 Ca -0.03 -0.42 0.03 0.00 -1.87 0.00 0.00 60.65 58.37 2ava h LYS 14 Cb 1.28 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 2ava h LYS 14 CO 0.13 1.07 0.10 0.93 -0.57 0.00 0.00 179.45 181.11 2ava h GLU 15 N 0.75 0.00 -0.59 3.15 4.39 -0.81 0.32 114.58 121.79 2ava h GLU 15 Ca 0.09 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.86 2ava h GLU 15 Cb 0.81 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.40 2ava h GLU 15 CO 0.07 0.00 0.28 0.87 -1.16 0.00 0.00 179.01 179.07 2ava h LYS 16 N 0.00 0.50 -0.03 2.33 1.79 -1.48 -2.87 116.57 116.81 2ava h LYS 16 Ca 0.04 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2ava h LYS 16 Cb 0.24 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2ava h LYS 16 CO -0.00 0.33 -0.04 1.47 -1.08 0.00 0.00 179.45 180.13 2ava n LEU 17 N -4.90 2.54 -2.91 2.94 -0.00 -0.76 -5.03 117.00 108.88 2ava n LEU 17 Ca 0.07 -3.16 -0.10 0.00 -0.00 0.00 0.00 56.01 52.82 2ava n LEU 17 Cb 0.20 -0.45 0.01 0.00 -0.00 0.00 0.00 43.42 43.18 2ava n LEU 17 CO 0.26 0.77 0.03 0.00 -0.00 0.00 0.00 177.39 178.45 2ava n ALA 18 N -1.33 -2.94 -3.79 1.47 0.00 0.85 -5.06 120.51 109.71 2ava n ALA 18 Ca 0.17 1.08 -0.13 0.00 0.00 0.00 0.00 53.44 54.56 2ava n ALA 18 Cb 0.67 -3.61 -0.04 0.00 0.00 0.00 0.00 19.45 16.48 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 -0.35 0.00 0.00 0.00 4.32 0.39 -4.93 117.00 116.43 2ava n LEU 19 Ca 0.10 -1.56 0.00 0.00 -0.02 0.00 0.00 56.01 54.52 2ava n LEU 19 Cb 0.48 0.68 0.00 0.00 -1.62 0.00 0.00 43.42 42.96 2ava n LEU 19 CO 0.49 -0.25 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 2ava n GLY 20 N 0.19 0.99 0.68 -0.72 0.00 -1.26 -4.55 105.19 100.52 2ava n GLY 20 Ca 0.01 -0.00 -0.06 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 n ALA 21 N -1.96 2.22 -1.52 4.61 0.00 -1.26 -4.77 120.51 117.83 2ava n ALA 21 Ca 0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 53.44 52.92 2ava n ALA 21 Cb 0.00 0.22 0.14 0.00 0.00 0.00 0.00 19.45 19.81 2ava n ALA 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ava n ASP 22 N -3.76 4.17 -4.00 0.00 8.00 -1.26 -4.98 116.55 114.72 2ava n ASP 22 Ca -0.10 -3.76 -0.12 0.00 0.71 0.00 0.00 54.79 51.51 2ava n ASP 22 Cb 0.33 -0.67 -0.12 0.00 -0.02 0.00 0.00 41.12 40.63 2ava n ASP 22 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ava s VAL 23 N -3.85 0.34 -0.60 2.53 0.11 -1.26 -5.11 120.40 112.56 2ava s VAL 23 Ca 0.52 -0.77 -0.23 0.00 -2.93 0.00 0.00 61.98 58.57 2ava s VAL 23 Cb 0.44 -0.41 0.05 0.00 -1.53 0.00 0.00 36.38 34.94 2ava s VAL 23 CO 0.02 -0.28 0.95 -0.69 -3.33 0.00 0.00 175.10 171.76 2ava s VAL 24 N -1.03 4.36 0.29 2.04 1.01 -1.26 -4.75 120.40 121.05 2ava s VAL 24 Ca -0.08 -0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 2ava s VAL 24 Cb -0.08 -4.60 -0.10 0.00 0.00 0.00 0.00 36.38 31.61 2ava s VAL 24 CO -0.00 -1.27 1.19 0.54 0.00 0.00 0.00 175.10 175.57 2ava s VAL 25 N 4.01 3.19 0.14 2.92 0.11 -1.26 -5.04 120.40 124.47 2ava s VAL 25 Ca 0.26 1.17 -0.05 0.00 -2.93 0.00 0.00 61.98 60.44 2ava s VAL 25 Cb -0.14 -3.75 -0.02 0.00 -1.53 0.00 0.00 36.38 30.93 2ava s VAL 25 CO 0.15 0.27 0.16 0.42 -3.33 0.00 0.00 175.10 172.76 2ava s THR 26 N -1.00 0.09 -0.19 5.04 -4.23 -1.26 -5.05 115.64 109.05 2ava s THR 26 Ca 0.47 -1.65 0.22 0.00 -1.18 0.00 0.00 61.69 59.56 2ava s THR 26 Cb -0.35 -1.90 -0.08 0.00 1.34 0.00 0.00 72.50 71.52 2ava s THR 26 CO 0.45 -0.43 0.92 0.00 -0.54 0.00 0.00 174.62 175.01 2ava n ALA 27 N -0.13 2.57 1.13 3.99 0.00 -1.26 -3.88 120.51 122.92 2ava n ALA 27 Ca -0.07 -0.30 0.12 0.00 0.00 0.00 0.00 53.44 53.19 2ava n ALA 27 Cb 0.63 -1.03 0.31 0.00 0.00 0.00 0.00 19.45 19.36 2ava n ALA 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ava n ASP 28 N -2.59 0.79 -4.56 0.00 9.92 -1.26 -0.08 116.55 118.77 2ava n ASP 28 Ca -0.01 -0.60 -0.23 0.00 -0.53 0.00 0.00 54.79 53.42 2ava n ASP 28 Cb 0.56 0.20 -0.06 0.00 -0.64 0.00 0.00 41.12 41.19 2ava n ASP 28 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2ava s SER 29 N -2.74 4.56 -0.34 -2.24 0.15 -1.25 -4.81 113.70 107.03 2ava s SER 29 Ca 0.18 -0.14 -0.34 0.00 0.70 0.00 0.00 55.95 56.35 2ava s SER 29 Cb 0.18 -2.55 -0.10 0.00 -1.71 0.00 0.00 66.02 61.84 2ava s SER 29 CO 0.61 -3.21 2.21 -0.62 1.20 0.00 0.00 173.24 173.43 2ava n GLU 30 N 8.88 1.19 -1.37 5.44 1.02 -1.26 -4.25 120.64 130.28 2ava n GLU 30 Ca 0.41 0.32 -0.31 0.00 -0.02 0.00 0.00 57.16 57.56 2ava n GLU 30 Cb 0.46 -2.58 0.09 0.00 -0.02 0.00 0.00 31.44 29.39 2ava n GLU 30 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2ava s PHE 31 N 7.58 2.70 -0.44 -0.32 -0.71 -1.26 -4.89 117.98 120.64 2ava s PHE 31 Ca 1.08 1.39 -0.27 0.00 -1.04 0.00 0.00 56.93 58.10 2ava s PHE 31 Cb -0.77 -3.04 -0.05 0.00 -1.21 0.00 0.00 43.02 37.94 2ava s PHE 31 CO 0.47 -1.78 2.25 0.45 -1.34 0.00 0.00 175.22 175.27 2ava s SER 32 N -3.58 4.86 -0.18 1.98 0.15 -1.26 -4.93 113.70 110.74 2ava s SER 32 Ca 0.61 1.17 0.00 0.00 0.70 0.00 0.00 55.95 58.43 2ava s SER 32 Cb -0.16 -2.51 0.04 0.00 -1.71 0.00 0.00 66.02 61.68 2ava s SER 32 CO 0.56 -2.54 -0.09 -1.59 1.20 0.00 0.00 173.24 170.78 2ava s LYS 33 N 7.51 1.87 -0.10 5.44 -2.85 -1.26 -4.80 119.74 125.55 2ava s LYS 33 Ca 0.93 -0.69 0.05 0.00 -1.00 0.00 0.00 55.97 55.26 2ava s LYS 33 Cb -0.20 -2.23 -0.10 0.00 -2.06 0.00 0.00 37.83 33.24 2ava s LYS 33 CO 0.28 -0.40 -0.03 -0.11 0.10 0.00 0.00 175.35 175.19 2ava n LEU 34 N 4.76 1.26 -1.72 2.77 7.94 -1.26 -5.02 117.00 125.72 2ava n LEU 34 Ca -0.14 -0.03 -0.14 0.00 -1.11 0.00 0.00 56.01 54.59 2ava n LEU 34 Cb 0.47 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.38 2ava n LEU 34 CO 0.19 0.42 -0.14 0.61 -1.11 0.00 0.00 177.39 177.37 2ava n GLY 35 N 2.65 -0.19 3.98 -3.96 0.00 -1.26 -5.02 105.19 101.39 2ava n GLY 35 Ca -0.17 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.76 4.55 0.39 4.61 0.00 -1.26 -5.00 121.76 122.29 2ava s ALA 36 Ca 0.05 -1.85 0.35 0.00 0.00 0.00 0.00 51.96 50.51 2ava s ALA 36 Cb -0.02 -1.26 1.73 0.00 0.00 0.00 0.00 23.12 23.57 2ava s ALA 36 CO 0.06 -0.62 2.14 -0.44 0.00 0.00 0.00 175.76 176.90 2ava h ASP 37 N 0.47 0.00 -2.33 0.00 5.19 -2.06 -3.45 116.42 114.24 2ava h ASP 37 Ca -0.34 0.00 -0.46 0.00 -0.62 0.00 0.00 57.03 55.61 2ava h ASP 37 Cb 1.29 0.00 0.23 0.00 0.18 0.00 0.00 39.33 41.03 2ava h ASP 37 CO 0.47 0.04 -1.11 -1.20 -3.12 0.00 0.00 179.24 174.33 2ava n SER 38 N -3.28 -2.38 -1.93 6.45 7.64 -1.26 -4.87 113.62 113.99 2ava n SER 38 Ca -0.01 -0.10 -0.15 0.00 1.01 0.00 0.00 58.87 59.62 2ava n SER 38 Cb 0.21 -0.96 0.18 0.00 -1.01 0.00 0.00 64.21 62.63 2ava n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ava n LEU 39 N -1.52 5.83 0.10 -3.43 -0.00 -1.26 -4.47 117.00 112.25 2ava n LEU 39 Ca 0.01 -3.08 -0.10 0.00 -0.00 0.00 0.00 56.01 52.84 2ava n LEU 39 Cb 0.62 -0.75 -0.06 0.00 -0.00 0.00 0.00 43.42 43.22 2ava n LEU 39 CO 0.52 0.88 0.35 -0.78 -0.00 0.00 0.00 177.39 178.36 2ava h ASP 40 N 1.21 -0.28 0.95 1.45 3.58 -1.89 -3.08 116.42 118.35 2ava h ASP 40 Ca 0.43 -0.22 -0.20 0.00 0.42 0.00 0.00 57.03 57.46 2ava h ASP 40 Cb 2.38 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 43.48 2ava h ASP 40 CO 0.81 0.22 -0.96 0.74 -2.88 0.00 0.00 179.24 177.17 2ava h THR 41 N -0.94 1.68 -0.82 2.25 2.02 -1.87 -3.27 112.91 111.96 2ava h THR 41 Ca -0.03 -3.27 0.06 0.00 0.77 0.00 0.00 66.41 63.94 2ava h THR 41 Cb 0.48 2.77 -0.05 0.00 -1.74 0.00 0.00 68.15 69.61 2ava h THR 41 CO 0.06 0.93 0.54 0.58 0.37 0.00 0.00 175.52 178.00 2ava h VAL 42 N 0.00 1.04 0.00 3.16 2.07 -1.79 0.21 116.25 120.94 2ava h VAL 42 Ca -0.01 -0.31 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 2ava h VAL 42 Cb 1.70 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2ava h VAL 42 CO 0.13 0.16 -0.54 -0.33 0.02 0.00 0.00 177.57 177.01 2ava h GLU 43 N 0.90 0.00 0.01 1.57 4.39 -1.58 -2.44 114.58 117.43 2ava h GLU 43 Ca 0.35 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.05 2ava h GLU 43 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2ava h GLU 43 CO -0.13 0.54 -0.01 0.82 -1.16 0.00 0.00 179.01 179.08 2ava h ILE 44 N 0.00 1.26 -0.74 3.13 1.08 -1.22 -3.11 117.51 117.92 2ava h ILE 44 Ca -0.01 -1.89 0.12 0.00 -0.39 0.00 0.00 64.86 62.70 2ava h ILE 44 Cb 0.96 2.36 -0.05 0.00 -3.07 0.00 0.00 36.82 37.03 2ava h ILE 44 CO 0.07 0.42 0.49 1.62 -0.69 0.00 0.00 178.15 180.06 2ava h VAL 45 N -0.98 0.86 -0.35 1.67 3.04 -0.72 -1.30 116.25 118.48 2ava h VAL 45 Ca -0.00 -0.18 -0.05 0.00 -1.01 0.00 0.00 66.70 65.46 2ava h VAL 45 Cb 0.70 0.30 -0.01 0.00 -2.01 0.00 0.00 31.29 30.26 2ava h VAL 45 CO 0.00 0.09 0.02 0.24 -1.01 0.00 0.00 177.57 176.92 2ava h MET 46 N 0.52 0.60 -0.17 4.17 2.86 -1.54 -0.57 114.93 120.81 2ava h MET 46 Ca 0.35 -0.18 0.02 0.00 -2.06 0.00 0.00 59.70 57.83 2ava h MET 46 Cb 0.65 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 2ava h MET 46 CO -0.12 0.70 0.04 -0.91 1.06 0.00 0.00 176.91 177.68 2ava h ASN 47 N 0.42 0.02 0.25 1.22 -0.26 -1.18 0.26 115.58 116.33 2ava h ASN 47 Ca 0.10 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.85 2ava h ASN 47 Cb 0.41 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.70 2ava h ASN 47 CO 0.01 0.04 -0.12 -0.07 -1.06 0.00 0.00 177.43 176.23 2ava h LEU 48 N 0.11 -0.29 -2.02 1.61 3.38 -1.39 0.22 115.31 116.93 2ava h LEU 48 Ca 0.07 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2ava h LEU 48 Cb 0.06 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2ava h LEU 48 CO -0.09 -0.05 0.11 -0.08 0.09 0.00 0.00 178.44 178.42 2ava h GLU 49 N -0.53 0.00 0.07 1.13 4.81 -0.99 0.13 114.58 119.21 2ava h GLU 49 Ca -0.03 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2ava h GLU 49 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2ava h GLU 49 CO 0.06 0.00 -0.03 1.49 -0.73 0.00 0.00 179.01 179.79 2ava h GLU 50 N 0.00 -0.09 -0.04 1.92 4.57 -0.17 0.57 114.58 121.35 2ava h GLU 50 Ca 0.07 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.29 2ava h GLU 50 Cb 0.30 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.86 2ava h GLU 50 CO -0.00 -0.06 -0.24 1.49 -1.18 0.00 0.00 179.01 179.02 2ava h GLU 51 N -0.87 -0.34 0.00 1.92 4.81 -0.46 -1.62 114.58 118.01 2ava h GLU 51 Ca -0.01 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 2ava h GLU 51 Cb 0.07 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2ava h GLU 51 CO 0.02 -0.23 -0.34 0.74 -0.73 0.00 0.00 179.01 178.47 2ava h PHE 52 N -0.36 0.00 -4.37 0.92 0.04 -0.91 -3.47 116.94 108.79 2ava h PHE 52 Ca 0.07 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.58 2ava h PHE 52 Cb 0.46 0.00 0.10 0.00 2.20 0.00 0.00 35.95 38.71 2ava h PHE 52 CO -0.30 0.34 -0.48 0.41 -0.60 0.00 0.00 178.31 177.68 2ava n GLY 53 N 0.24 -0.08 2.26 -1.45 0.00 0.12 -5.01 105.19 101.27 2ava n GLY 53 Ca -0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.03 0.00 -3.85 -0.61 -5.35 -0.74 -5.00 119.36 99.78 2ava n ILE 54 Ca -0.03 -1.16 -0.29 0.00 -0.27 0.00 0.00 62.75 61.01 2ava n ILE 54 Cb 0.56 -0.62 -0.13 0.00 -1.74 0.00 0.00 39.64 37.71 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 -3.05 4.23 0.10 7.28 6.03 -1.26 -4.83 114.94 123.43 2ava s ASN 55 Ca 0.32 -3.37 0.05 0.00 -1.03 0.00 0.00 52.86 48.83 2ava s ASN 55 Cb -0.03 -1.45 -0.04 0.00 -3.03 0.00 0.00 41.25 36.70 2ava s ASN 55 CO 0.20 -0.16 -0.01 0.54 -2.03 0.00 0.00 177.10 175.64 2ava s VAL 56 N -0.74 3.93 0.24 3.54 0.11 -1.26 -5.05 120.40 121.17 2ava s VAL 56 Ca 0.22 -1.04 0.07 0.00 -2.93 0.00 0.00 61.98 58.31 2ava s VAL 56 Cb -0.13 -2.87 -0.04 0.00 -1.53 0.00 0.00 36.38 31.81 2ava s VAL 56 CO -0.10 0.11 0.12 -0.62 -3.33 0.00 0.00 175.10 171.28 2ava s ASP 57 N -2.32 5.20 0.27 3.54 2.15 -1.26 -4.99 116.67 119.26 2ava s ASP 57 Ca 0.25 -0.35 -0.00 0.00 0.43 0.00 0.00 52.55 52.88 2ava s ASP 57 Cb -0.12 -1.23 0.50 0.00 -0.30 0.00 0.00 42.92 41.77 2ava s ASP 57 CO 0.18 -0.00 1.85 -0.33 -0.17 0.00 0.00 175.17 176.69 2ava h GLU 58 N 1.83 1.00 0.00 4.34 4.39 -2.00 0.23 114.58 124.37 2ava h GLU 58 Ca -0.47 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.16 2ava h GLU 58 Cb 1.23 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.66 2ava h GLU 58 CO 0.61 0.66 -0.02 0.22 -1.16 0.00 0.00 179.01 179.31 2ava h ASP 59 N 1.03 0.00 -0.01 1.42 3.58 -2.00 -0.20 116.42 120.25 2ava h ASP 59 Ca 0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.92 2ava h ASP 59 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2ava h ASP 59 CO -0.24 0.02 -0.70 1.17 -2.88 0.00 0.00 179.24 176.62 2ava n LYS 60 N -3.34 1.09 -0.77 0.28 3.00 0.55 -4.34 118.16 114.63 2ava n LYS 60 Ca -0.02 -0.35 0.05 0.00 -0.00 0.00 0.00 58.31 57.99 2ava n LYS 60 Cb 0.14 -1.38 0.18 0.00 0.00 0.00 0.00 35.03 33.97 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 -0.91 3.46 -0.02 3.14 0.00 0.19 -4.66 120.51 121.70 2ava n ALA 61 Ca 0.05 -3.15 -0.03 0.00 0.00 0.00 0.00 53.44 50.31 2ava n ALA 61 Cb 0.34 -0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.84 1.19 -1.94 0.00 -0.00 -0.24 -4.73 117.38 110.82 2ava n GLN 62 Ca 0.17 0.02 -0.29 0.00 -0.00 0.00 0.00 57.00 56.90 2ava n GLN 62 Cb 0.77 -1.09 0.03 0.00 -0.00 0.00 0.00 30.24 29.95 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 -2.47 5.78 -4.69 2.61 2.03 -1.26 -4.28 116.55 114.26 2ava n ASP 63 Ca -0.07 -3.76 -0.40 0.00 0.52 0.00 0.00 54.79 51.08 2ava n ASP 63 Cb 0.60 -0.58 -0.05 0.00 -0.72 0.00 0.00 41.12 40.37 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 -4.88 5.04 0.05 5.18 -1.09 -1.26 -5.06 121.20 119.18 2ava s ILE 64 Ca 0.54 1.28 -0.01 0.00 -2.23 0.00 0.00 60.65 60.22 2ava s ILE 64 Cb 0.43 -3.97 0.01 0.00 -1.58 0.00 0.00 42.46 37.35 2ava s ILE 64 CO -0.06 0.18 0.04 -0.24 -1.23 0.00 0.00 174.94 173.63 2ava n SER 65 N 4.44 -1.58 -3.61 3.58 2.88 -1.26 -4.91 113.62 113.15 2ava n SER 65 Ca -0.02 -0.27 -0.21 0.00 -1.33 0.00 0.00 58.87 57.04 2ava n SER 65 Cb 0.50 -0.04 0.18 0.00 -0.75 0.00 0.00 64.21 64.10 2ava n SER 65 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2ava n THR 66 N -2.86 0.00 -0.29 2.46 5.66 -1.26 -4.00 114.28 113.99 2ava n THR 66 Ca 0.01 -0.06 0.29 0.00 -3.05 0.00 0.00 64.05 61.23 2ava n THR 66 Cb 0.02 -0.59 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 -2.80 0.49 0.11 1.09 5.03 -1.65 -0.34 117.51 119.45 2ava h ILE 67 Ca -0.30 -0.05 0.02 0.00 -0.12 0.00 0.00 64.86 64.41 2ava h ILE 67 Cb 0.92 0.32 -0.04 0.00 -3.03 0.00 0.00 36.82 34.98 2ava h ILE 67 CO 0.19 0.03 -0.37 1.56 -0.68 0.00 0.00 178.15 178.88 2ava h GLN 68 N 0.15 -0.57 -0.15 2.37 1.08 -0.78 0.16 115.11 117.37 2ava h GLN 68 Ca 0.54 0.04 -0.20 0.00 -1.45 0.00 0.00 58.65 57.58 2ava h GLN 68 Cb 1.84 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 29.40 2ava h GLN 68 CO -0.12 -0.38 -0.71 0.37 -0.95 0.00 0.00 178.83 177.05 2ava h GLN 69 N -0.59 0.64 0.10 1.46 4.15 -1.46 -3.11 115.11 116.30 2ava h GLN 69 Ca 0.03 -0.49 0.02 0.00 0.77 0.00 0.00 58.65 58.97 2ava h GLN 69 Cb 0.63 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 2ava h GLN 69 CO -0.22 1.11 -0.26 0.00 -1.93 0.00 0.00 178.83 177.53 2ava h ALA 70 N 0.75 -0.43 -0.92 3.38 0.00 -0.81 -1.16 119.26 120.07 2ava h ALA 70 Ca -0.03 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.94 2ava h ALA 70 Cb 1.31 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 19.45 2ava h ALA 70 CO 0.14 -0.79 0.56 0.00 0.00 0.00 0.00 179.25 179.15 2ava h ALA 71 N 0.28 1.34 -0.41 0.00 0.00 -0.76 -1.67 119.26 118.04 2ava h ALA 71 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ava h ALA 71 Cb 0.50 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2ava h ALA 71 CO -0.16 0.20 0.27 0.22 0.00 0.00 0.00 179.25 179.77 2ava h ASP 72 N 0.92 0.46 0.72 0.00 1.82 -1.33 -1.01 116.42 118.01 2ava h ASP 72 Ca 0.44 -0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 57.03 2ava h ASP 72 Cb 0.38 -0.11 0.01 0.00 0.68 0.00 0.00 39.33 40.28 2ava h ASP 72 CO -0.24 0.33 -0.35 0.58 -1.61 0.00 0.00 179.24 177.95 2ava h VAL 73 N 0.55 0.28 -0.91 2.25 2.07 -0.37 -2.71 116.25 117.41 2ava h VAL 73 Ca 0.15 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.83 2ava h VAL 73 Cb -0.06 0.28 -0.08 0.00 -1.52 0.00 0.00 31.29 29.92 2ava h VAL 73 CO -0.03 0.00 0.59 0.40 0.02 0.00 0.00 177.57 178.54 2ava h ILE 74 N -0.98 0.79 -0.37 4.57 5.03 -1.27 -1.63 117.51 123.65 2ava h ILE 74 Ca -0.10 -0.22 0.08 0.00 -0.12 0.00 0.00 64.86 64.50 2ava h ILE 74 Cb 0.75 0.08 -0.08 0.00 -3.03 0.00 0.00 36.82 34.54 2ava h ILE 74 CO 0.16 0.12 -0.16 -0.33 -0.68 0.00 0.00 178.15 177.26 2ava h GLU 75 N 0.65 -0.09 -0.03 2.37 5.08 -0.86 0.15 114.58 121.86 2ava h GLU 75 Ca 0.47 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.78 2ava h GLU 75 Cb 0.83 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2ava h GLU 75 CO -0.23 -0.06 -0.25 0.78 -1.00 0.00 0.00 179.01 178.25 2ava h GLY 76 N -0.09 0.06 1.13 -3.84 0.00 -1.20 -1.63 103.07 97.51 2ava h GLY 76 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2ava h GLY 76 CO -0.43 0.04 -0.02 1.04 0.00 0.00 0.00 176.54 177.17 2ava n LEU 77 N -4.22 0.16 -0.93 3.11 4.77 -0.19 -2.94 117.00 116.76 2ava n LEU 77 Ca -0.02 0.09 0.11 0.00 -0.03 0.00 0.00 56.01 56.16 2ava n LEU 77 Cb 0.32 -0.14 0.11 0.00 -2.33 0.00 0.00 43.42 41.37 2ava n LEU 77 CO 0.38 0.03 0.62 0.18 -1.33 0.00 0.00 177.39 177.26 2ava n LEU 78 N -1.05 2.95 -0.06 2.23 4.77 -0.14 -4.23 117.00 121.48 2ava n LEU 78 Ca 0.18 -1.05 -0.03 0.00 -0.03 0.00 0.00 56.01 55.08 2ava n LEU 78 Cb 0.20 -0.03 -0.16 0.00 -2.33 0.00 0.00 43.42 41.11 2ava n LEU 78 CO 0.21 0.51 -0.96 -0.62 -1.33 0.00 0.00 177.39 175.21 2ava n GLU 79 N 1.29 0.67 0.29 3.23 1.02 -1.15 -4.29 120.64 121.70 2ava n GLU 79 Ca 0.14 -0.05 0.07 0.00 -0.02 0.00 0.00 57.16 57.30 2ava n GLU 79 Cb 0.57 -1.55 0.30 0.00 -0.02 0.00 0.00 31.44 30.74 2ava n GLU 79 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 2ava h LYS 80 N 0.00 0.00 -3.85 3.49 5.09 -1.74 -3.41 116.57 116.16 2ava h LYS 80 Ca -0.34 0.00 -0.23 0.00 0.09 0.00 0.00 60.65 60.17 2ava h LYS 80 Cb 1.80 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 34.08 2ava h LYS 80 CO 0.02 0.00 -0.06 0.21 -2.09 0.00 0.00 179.45 177.53 2ava s LYS 81 N -4.07 2.06 0.00 0.07 2.20 -1.26 -5.20 119.74 113.54 2ava s LYS 81 Ca -0.01 -1.72 0.00 0.00 -0.36 0.00 0.00 55.97 53.87 2ava s LYS 81 Cb 0.04 0.50 0.00 0.00 -1.51 0.00 0.00 37.83 36.86 2ava s LYS 81 CO 0.13 -0.89 0.13 0.00 -0.36 0.00 0.00 175.35 174.36