#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 3.11 0.38 0.00 1.02 -1.26 -4.80 119.74 118.19 2ava s LYS 2 Ca 0.00 1.70 0.11 0.00 0.02 0.00 0.00 55.97 57.80 2ava s LYS 2 Cb 0.00 -1.96 0.90 0.00 -0.52 0.00 0.00 37.83 36.25 2ava s LYS 2 CO 0.00 -1.07 1.90 0.87 -0.92 0.00 0.00 175.35 176.13 2ava h LYS 3 N 0.93 0.58 -0.85 1.68 6.56 -2.02 -0.51 116.57 122.93 2ava h LYS 3 Ca -0.50 -0.03 0.09 0.00 -1.06 0.00 0.00 60.65 59.15 2ava h LYS 3 Cb 1.28 -0.13 -0.07 0.00 -0.57 0.00 0.00 32.23 32.74 2ava h LYS 3 CO 0.56 0.38 0.50 1.05 -2.06 0.00 0.00 179.45 179.88 2ava h GLU 4 N 0.59 0.83 0.02 3.15 4.11 -1.99 0.26 114.58 121.55 2ava h GLU 4 Ca 0.41 -0.05 -0.17 0.00 0.07 0.00 0.00 59.36 59.62 2ava h GLU 4 Cb 0.73 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.81 2ava h GLU 4 CO -0.16 0.55 -0.67 1.15 0.07 0.00 0.00 179.01 179.95 2ava h THR 5 N 0.85 1.43 -0.93 -1.06 2.02 -1.50 -2.52 112.91 111.20 2ava h THR 5 Ca 0.41 -2.17 0.09 0.00 0.77 0.00 0.00 66.41 65.51 2ava h THR 5 Cb 0.34 2.69 -0.07 0.00 -1.74 0.00 0.00 68.15 69.37 2ava h THR 5 CO -0.24 0.63 0.60 0.40 0.37 0.00 0.00 175.52 177.29 2ava h ILE 6 N -0.12 1.00 -0.03 3.11 2.04 -0.86 0.13 117.51 122.80 2ava h ILE 6 Ca -0.09 -0.34 -0.21 0.00 1.00 0.00 0.00 64.86 65.22 2ava h ILE 6 Cb 1.39 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2ava h ILE 6 CO 0.13 0.18 -0.86 -0.78 0.00 0.00 0.00 178.15 176.82 2ava h ASP 7 N 0.99 0.48 0.63 1.72 1.82 -1.02 -2.87 116.42 118.18 2ava h ASP 7 Ca 0.43 -0.36 -0.03 0.00 -0.39 0.00 0.00 57.03 56.67 2ava h ASP 7 Cb 0.34 -0.15 0.01 0.00 0.68 0.00 0.00 39.33 40.21 2ava h ASP 7 CO -0.18 1.14 -0.30 0.11 -1.61 0.00 0.00 179.24 178.39 2ava h LYS 8 N 0.23 -0.82 -0.13 0.28 1.79 -0.81 -2.47 116.57 114.64 2ava h LYS 8 Ca -0.06 0.06 0.05 0.00 -2.18 0.00 0.00 60.65 58.51 2ava h LYS 8 Cb 1.48 0.19 -0.06 0.00 -1.58 0.00 0.00 32.23 32.25 2ava h LYS 8 CO 0.15 -0.50 -0.28 0.28 -1.08 0.00 0.00 179.45 178.01 2ava h VAL 9 N -1.11 0.35 -0.71 0.50 2.07 -1.13 0.58 116.25 116.80 2ava h VAL 9 Ca -0.09 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.64 2ava h VAL 9 Cb 0.69 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2ava h VAL 9 CO 0.14 0.00 0.54 0.77 0.02 0.00 0.00 177.57 179.04 2ava h SER 10 N -0.35 0.00 -0.20 0.57 4.64 -1.56 0.60 113.55 117.24 2ava h SER 10 Ca 0.10 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.29 2ava h SER 10 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2ava h SER 10 CO -0.33 0.00 -0.38 -0.78 -0.87 0.00 0.00 176.83 174.47 2ava h ASP 11 N 0.00 0.68 -0.99 4.97 3.58 -0.41 -3.01 116.42 121.24 2ava h ASP 11 Ca 0.34 -0.54 0.18 0.00 0.42 0.00 0.00 57.03 57.42 2ava h ASP 11 Cb 1.41 -0.20 -0.10 0.00 1.72 0.00 0.00 39.33 42.17 2ava h ASP 11 CO -0.00 1.10 0.62 0.40 -2.88 0.00 0.00 179.24 178.47 2ava h ILE 12 N 0.29 0.75 -0.38 2.25 5.03 -0.23 0.63 117.51 125.85 2ava h ILE 12 Ca 0.01 -0.27 -0.14 0.00 -0.12 0.00 0.00 64.86 64.34 2ava h ILE 12 Cb 0.98 -0.09 -0.01 0.00 -3.03 0.00 0.00 36.82 34.66 2ava h ILE 12 CO 0.08 0.14 -0.32 0.58 -0.68 0.00 0.00 178.15 177.96 2ava h VAL 13 N 0.78 1.28 -0.58 1.67 2.07 -1.50 -3.09 116.25 116.87 2ava h VAL 13 Ca 0.55 -1.48 -0.11 0.00 0.82 0.00 0.00 66.70 66.48 2ava h VAL 13 Cb 0.84 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 2ava h VAL 13 CO -0.33 0.49 -0.06 0.11 0.02 0.00 0.00 177.57 177.80 2ava h LYS 14 N 0.72 1.06 0.00 1.57 1.57 -0.86 -2.56 116.57 118.06 2ava h LYS 14 Ca 0.08 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2ava h LYS 14 Cb 0.88 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 2ava h LYS 14 CO 0.08 1.07 -0.00 0.93 -0.57 0.00 0.00 179.45 180.95 2ava h GLU 15 N 0.95 0.00 0.16 3.15 4.39 -0.90 0.40 114.58 122.73 2ava h GLU 15 Ca 0.16 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.87 2ava h GLU 15 Cb 0.63 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 2ava h GLU 15 CO 0.04 0.00 -0.25 0.87 -1.16 0.00 0.00 179.01 178.51 2ava h LYS 16 N 0.00 -0.47 -0.24 2.33 1.79 -1.38 -3.07 116.57 115.53 2ava h LYS 16 Ca -0.00 0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.43 2ava h LYS 16 Cb 0.00 0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.72 2ava h LYS 16 CO 0.00 -0.31 -0.07 1.47 -1.08 0.00 0.00 179.45 179.46 2ava n LEU 17 N -5.37 3.65 -2.97 2.94 -0.00 -1.02 -5.01 117.00 109.22 2ava n LEU 17 Ca -0.07 -3.40 -0.12 0.00 -0.00 0.00 0.00 56.01 52.43 2ava n LEU 17 Cb 0.28 -0.56 0.01 0.00 -0.00 0.00 0.00 43.42 43.15 2ava n LEU 17 CO 0.26 0.96 -0.17 0.00 -0.00 0.00 0.00 177.39 178.45 2ava n ALA 18 N -0.95 -2.91 -3.90 1.47 0.00 0.10 -5.05 120.51 109.28 2ava n ALA 18 Ca 0.25 0.80 -0.07 0.00 0.00 0.00 0.00 53.44 54.42 2ava n ALA 18 Cb 0.90 -2.70 -0.02 0.00 0.00 0.00 0.00 19.45 17.63 2ava n ALA 18 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2ava n LEU 19 N 0.05 0.00 0.00 0.00 7.94 1.00 -4.88 117.00 121.11 2ava n LEU 19 Ca 0.05 -0.76 0.00 0.00 -1.11 0.00 0.00 56.01 54.19 2ava n LEU 19 Cb 0.41 0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.55 2ava n LEU 19 CO 0.45 -0.11 0.00 0.61 -1.11 0.00 0.00 177.39 177.23 2ava n GLY 20 N 2.36 0.86 0.01 -3.96 0.00 -1.26 -4.72 105.19 98.48 2ava n GLY 20 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.19 0.05 -1.25 4.61 0.00 -1.26 -4.71 120.51 116.75 2ava n ALA 21 Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 53.44 53.28 2ava n ALA 21 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.66 2ava n ALA 21 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ava n ASP 22 N -2.51 2.76 -4.50 0.00 2.03 -1.26 -5.01 116.55 108.05 2ava n ASP 22 Ca -0.01 -3.41 -0.30 0.00 0.52 0.00 0.00 54.79 51.59 2ava n ASP 22 Cb 0.03 -0.55 -0.11 0.00 -0.72 0.00 0.00 41.12 39.77 2ava n ASP 22 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2ava s VAL 23 N -3.04 2.92 -0.21 5.18 1.01 -1.26 -5.11 120.40 119.89 2ava s VAL 23 Ca 0.40 -1.43 -0.18 0.00 0.00 0.00 0.00 61.98 60.77 2ava s VAL 23 Cb 0.35 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2ava s VAL 23 CO 0.02 0.13 0.52 -0.69 0.00 0.00 0.00 175.10 175.08 2ava s VAL 24 N -1.13 5.10 -0.00 2.92 1.01 -1.26 -4.71 120.40 122.33 2ava s VAL 24 Ca 0.18 0.94 -0.24 0.00 0.00 0.00 0.00 61.98 62.86 2ava s VAL 24 Cb -0.11 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 2ava s VAL 24 CO 0.10 0.16 0.72 0.54 0.00 0.00 0.00 175.10 176.62 2ava s VAL 25 N 1.74 4.87 0.04 2.92 0.11 -1.26 -5.06 120.40 123.76 2ava s VAL 25 Ca 0.23 1.51 0.01 0.00 -2.93 0.00 0.00 61.98 60.80 2ava s VAL 25 Cb -0.15 -4.06 -0.02 0.00 -1.53 0.00 0.00 36.38 30.61 2ava s VAL 25 CO 0.09 0.33 -0.06 0.42 -3.33 0.00 0.00 175.10 172.56 2ava s THR 26 N 0.24 0.37 -0.37 5.04 -4.23 -1.26 -5.04 115.64 110.40 2ava s THR 26 Ca 0.37 -1.12 0.23 0.00 -1.18 0.00 0.00 61.69 59.99 2ava s THR 26 Cb -0.19 -0.60 0.16 0.00 1.34 0.00 0.00 72.50 73.21 2ava s THR 26 CO 0.20 -0.49 1.33 0.00 -0.54 0.00 0.00 174.62 175.12 2ava h ALA 27 N 4.37 0.74 0.00 3.99 0.00 -1.95 -3.26 119.26 123.15 2ava h ALA 27 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 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 0.44 0.00 -0.45 -3.47 0.00 0.00 0.00 179.25 175.77 2ava n ASP 28 N -2.81 0.75 -4.55 0.00 2.03 -1.26 -0.18 116.55 110.52 2ava n ASP 28 Ca 0.02 0.26 -0.30 0.00 0.52 0.00 0.00 54.79 55.29 2ava n ASP 28 Cb 0.53 -0.12 -0.04 0.00 -0.72 0.00 0.00 41.12 40.77 2ava n ASP 28 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2ava s SER 29 N -4.34 4.71 -0.25 1.67 0.15 -1.23 -4.74 113.70 109.66 2ava s SER 29 Ca 0.07 0.28 -0.35 0.00 0.70 0.00 0.00 55.95 56.65 2ava s SER 29 Cb 0.13 -2.53 -0.12 0.00 -1.71 0.00 0.00 66.02 61.79 2ava s SER 29 CO 0.69 -2.92 2.01 -0.62 1.20 0.00 0.00 173.24 173.60 2ava n GLU 30 N 8.99 1.48 0.24 5.44 1.02 -1.26 -4.04 120.64 132.50 2ava n GLU 30 Ca 0.35 0.48 0.11 0.00 -0.02 0.00 0.00 57.16 58.08 2ava n GLU 30 Cb 0.50 -2.50 0.59 0.00 -0.02 0.00 0.00 31.44 30.01 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 10.60 0.00 -1.78 -0.32 -0.00 -1.90 -3.44 116.94 120.10 2ava h PHE 31 Ca -0.38 0.00 -0.67 0.00 -0.00 0.00 0.00 57.97 56.92 2ava h PHE 31 Cb 1.30 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 37.27 2ava h PHE 31 CO 0.90 0.18 1.04 0.43 -0.00 0.00 0.00 178.31 180.86 2ava n SER 32 N -3.53 2.96 -4.73 -0.68 7.64 -1.26 -4.91 113.62 109.11 2ava n SER 32 Ca -0.01 0.99 -0.41 0.00 1.01 0.00 0.00 58.87 60.44 2ava n SER 32 Cb 0.34 -1.27 -0.04 0.00 -1.01 0.00 0.00 64.21 62.23 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 4.00 4.62 -0.08 1.43 -0.14 -1.26 -4.94 119.74 123.37 2ava s LYS 33 Ca 0.96 1.57 0.19 0.00 -1.36 0.00 0.00 55.97 57.33 2ava s LYS 33 Cb -0.86 -3.35 -0.25 0.00 -1.68 0.00 0.00 37.83 31.69 2ava s LYS 33 CO 0.58 0.08 0.40 1.28 -0.76 0.00 0.00 175.35 176.92 2ava n LEU 34 N 2.94 0.22 -4.34 3.17 4.32 -1.26 -4.98 117.00 117.07 2ava n LEU 34 Ca 0.04 0.10 -0.31 0.00 -0.02 0.00 0.00 56.01 55.81 2ava n LEU 34 Cb 0.48 0.23 0.19 0.00 -1.62 0.00 0.00 43.42 42.70 2ava n LEU 34 CO 0.53 0.25 -0.23 0.61 -1.22 0.00 0.00 177.39 177.32 2ava n GLY 35 N 1.50 -2.33 3.53 -0.72 0.00 -1.26 -4.90 105.19 101.01 2ava n GLY 35 Ca -0.18 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.29 3.22 0.18 4.61 0.00 -1.26 -5.00 121.76 121.21 2ava s ALA 36 Ca 0.59 -1.11 -0.06 0.00 0.00 0.00 0.00 51.96 51.39 2ava s ALA 36 Cb -0.16 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.30 2ava s ALA 36 CO 0.66 -2.19 0.23 0.34 0.00 0.00 0.00 175.76 174.80 2ava s ASP 37 N 2.54 0.11 -0.01 0.00 2.15 -1.26 -5.10 116.67 115.10 2ava s ASP 37 Ca 0.31 -1.08 -0.03 0.00 0.43 0.00 0.00 52.55 52.18 2ava s ASP 37 Cb -0.12 0.41 -0.02 0.00 -0.30 0.00 0.00 42.92 42.90 2ava s ASP 37 CO 0.21 -0.88 0.42 0.28 -0.17 0.00 0.00 175.17 175.03 2ava h SER 38 N 2.59 -0.09 -1.89 -0.34 0.02 -2.04 -3.47 113.55 108.32 2ava h SER 38 Ca -0.33 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.66 2ava h SER 38 Cb 1.23 0.02 -0.22 0.00 0.14 0.00 0.00 62.40 63.57 2ava h SER 38 CO 0.50 0.00 -0.22 -0.22 -1.14 0.00 0.00 176.83 175.75 2ava s LEU 39 N -5.04 -1.07 -0.06 5.07 1.98 -1.26 -5.03 118.68 113.28 2ava s LEU 39 Ca -0.02 1.25 0.05 0.00 -2.89 0.00 0.00 54.13 52.53 2ava s LEU 39 Cb 0.00 2.03 -0.07 0.00 0.66 0.00 0.00 46.19 48.81 2ava s LEU 39 CO 0.05 -0.23 0.02 -0.67 -1.89 0.00 0.00 176.35 173.62 2ava n ASP 40 N 5.43 3.53 -0.08 3.68 -0.08 -1.26 -4.59 116.55 123.17 2ava n ASP 40 Ca -0.09 -0.00 0.24 0.00 -1.51 0.00 0.00 54.79 53.43 2ava n ASP 40 Cb 0.50 0.64 0.71 0.00 2.34 0.00 0.00 41.12 45.31 2ava n ASP 40 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2ava h THR 41 N 0.00 0.65 -0.48 5.18 2.02 -1.95 0.96 112.91 119.29 2ava h THR 41 Ca -0.16 -0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.90 2ava h THR 41 Cb 1.37 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2ava h THR 41 CO 0.01 0.00 -0.19 0.58 0.37 0.00 0.00 175.52 176.29 2ava h VAL 42 N 0.00 1.27 0.00 3.16 2.07 -1.94 0.15 116.25 120.96 2ava h VAL 42 Ca 0.33 -1.34 -0.08 0.00 0.82 0.00 0.00 66.70 66.43 2ava h VAL 42 Cb 1.33 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 2ava h VAL 42 CO -0.00 0.46 -0.40 -0.33 0.02 0.00 0.00 177.57 177.32 2ava h GLU 43 N 0.82 0.00 0.00 1.57 5.08 -1.10 -2.68 114.58 118.27 2ava h GLU 43 Ca 0.11 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2ava h GLU 43 Cb 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2ava h GLU 43 CO 0.06 0.40 -0.38 0.82 -1.00 0.00 0.00 179.01 178.91 2ava h ILE 44 N 0.00 1.20 -0.74 3.13 1.08 -1.16 -3.16 117.51 117.86 2ava h ILE 44 Ca -0.00 -2.04 0.17 0.00 -0.39 0.00 0.00 64.86 62.59 2ava h ILE 44 Cb 0.87 2.41 -0.04 0.00 -3.07 0.00 0.00 36.82 36.99 2ava h ILE 44 CO 0.05 0.41 0.50 1.62 -0.69 0.00 0.00 178.15 180.04 2ava h VAL 45 N -1.00 0.75 -0.09 1.67 3.04 -0.77 -1.15 116.25 118.70 2ava h VAL 45 Ca -0.10 -0.10 -0.04 0.00 -1.01 0.00 0.00 66.70 65.46 2ava h VAL 45 Cb 0.92 0.43 -0.00 0.00 -2.01 0.00 0.00 31.29 30.63 2ava h VAL 45 CO -0.06 0.05 -0.10 -0.03 -1.01 0.00 0.00 177.57 176.43 2ava h MET 46 N 0.29 0.23 -0.99 4.17 -1.53 -1.60 0.01 114.93 115.50 2ava h MET 46 Ca 0.36 -0.12 0.03 0.00 -3.44 0.00 0.00 59.70 56.53 2ava h MET 46 Cb 1.00 0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 32.00 2ava h MET 46 CO -0.09 0.66 0.65 -0.91 0.14 0.00 0.00 176.91 177.36 2ava h ASN 47 N -0.20 1.10 0.10 1.39 4.21 -1.22 0.42 115.58 121.38 2ava h ASN 47 Ca 0.01 -0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 2ava h ASN 47 Cb 0.62 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 37.56 2ava h ASN 47 CO 0.02 0.77 -0.05 -0.07 -1.29 0.00 0.00 177.43 176.81 2ava h LEU 48 N 1.29 -0.12 -1.61 1.61 3.38 -1.25 0.52 115.31 119.13 2ava h LEU 48 Ca 0.38 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2ava h LEU 48 Cb -0.06 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2ava h LEU 48 CO -0.11 0.43 0.18 -0.08 0.09 0.00 0.00 178.44 178.96 2ava h GLU 49 N -0.73 0.44 0.13 1.13 4.81 -0.84 0.65 114.58 120.18 2ava h GLU 49 Ca -0.01 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2ava h GLU 49 Cb 0.55 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2ava h GLU 49 CO 0.02 0.33 -0.06 1.49 -0.73 0.00 0.00 179.01 180.06 2ava h GLU 50 N 0.45 -0.17 0.66 1.92 4.22 -0.18 -0.28 114.58 121.21 2ava h GLU 50 Ca 0.12 0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.54 2ava h GLU 50 Cb 0.01 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2ava h GLU 50 CO -0.02 0.17 -0.50 1.49 -2.18 0.00 0.00 179.01 177.97 2ava h GLU 51 N -0.97 -1.08 0.00 1.92 4.57 -0.79 -2.25 114.58 115.98 2ava h GLU 51 Ca -0.02 0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2ava h GLU 51 Cb 0.43 0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 29.26 2ava h GLU 51 CO 0.03 -0.72 -0.10 0.74 -1.18 0.00 0.00 179.01 177.78 2ava h PHE 52 N -1.12 0.00 -3.50 0.92 0.04 -1.04 -3.46 116.94 108.78 2ava h PHE 52 Ca -0.09 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.45 2ava h PHE 52 Cb 0.93 0.00 0.07 0.00 2.20 0.00 0.00 35.95 39.14 2ava h PHE 52 CO -0.17 0.10 -0.38 0.41 -0.60 0.00 0.00 178.31 177.67 2ava n GLY 53 N -0.64 0.06 2.02 -1.45 0.00 -0.21 -5.01 105.19 99.96 2ava n GLY 53 Ca -0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.96 0.00 -3.78 -0.61 -5.35 -0.63 -5.01 119.36 100.02 2ava n ILE 54 Ca -0.02 -1.03 -0.29 0.00 -0.27 0.00 0.00 62.75 61.15 2ava n ILE 54 Cb 0.55 -0.65 -0.12 0.00 -1.74 0.00 0.00 39.64 37.67 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 -2.83 3.89 0.04 7.28 6.03 -1.26 -4.79 114.94 123.29 2ava s ASN 55 Ca 0.29 -3.19 0.05 0.00 -1.03 0.00 0.00 52.86 48.98 2ava s ASN 55 Cb -0.02 -1.28 -0.04 0.00 -3.03 0.00 0.00 41.25 36.88 2ava s ASN 55 CO 0.18 -0.18 -0.09 0.54 -2.03 0.00 0.00 177.10 175.52 2ava s VAL 56 N -0.44 3.48 0.49 3.54 0.11 -1.26 -5.02 120.40 121.29 2ava s VAL 56 Ca 0.22 -0.97 0.08 0.00 -2.93 0.00 0.00 61.98 58.38 2ava s VAL 56 Cb -0.14 -2.54 0.03 0.00 -1.53 0.00 0.00 36.38 32.20 2ava s VAL 56 CO -0.08 0.30 0.57 -0.62 -3.33 0.00 0.00 175.10 171.94 2ava s ASP 57 N -1.67 5.19 0.36 3.54 -1.08 -1.26 -4.99 116.67 116.77 2ava s ASP 57 Ca 0.18 -0.75 0.11 0.00 -0.52 0.00 0.00 52.55 51.57 2ava s ASP 57 Cb -0.11 -0.18 0.68 0.00 -1.46 0.00 0.00 42.92 41.85 2ava s ASP 57 CO 0.09 -0.97 1.82 1.05 0.52 0.00 0.00 175.17 177.68 2ava h GLU 58 N 0.60 0.06 0.00 4.34 4.11 -2.01 -1.10 114.58 120.59 2ava h GLU 58 Ca -0.37 -0.02 -0.06 0.00 0.07 0.00 0.00 59.36 58.98 2ava h GLU 58 Cb 1.28 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 2ava h GLU 58 CO 0.48 0.41 -0.27 -0.44 0.07 0.00 0.00 179.01 179.26 2ava h ASP 59 N 0.05 0.00 -0.02 3.06 3.32 -2.00 -1.70 116.42 119.13 2ava h ASP 59 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ava h ASP 59 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2ava h ASP 59 CO 0.05 0.27 -0.11 1.17 -1.72 0.00 0.00 179.24 178.90 2ava n LYS 60 N -3.58 1.83 -0.20 3.56 3.00 -0.92 -4.24 118.16 117.61 2ava n LYS 60 Ca -0.01 -1.56 0.08 0.00 -0.00 0.00 0.00 58.31 56.82 2ava n LYS 60 Cb 0.41 -1.41 0.12 0.00 0.00 0.00 0.00 35.03 34.15 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 0.88 2.31 -0.03 3.14 0.00 -0.46 -4.66 120.51 121.70 2ava n ALA 61 Ca 0.11 -2.40 -0.04 0.00 0.00 0.00 0.00 53.44 51.12 2ava n ALA 61 Cb 0.51 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 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 -1.15 0.14 -1.28 0.00 10.64 -0.67 -4.68 117.38 120.38 2ava n GLN 62 Ca 0.13 0.03 -0.28 0.00 -1.83 0.00 0.00 57.00 55.05 2ava n GLN 62 Cb 0.66 -1.09 0.13 0.00 -0.86 0.00 0.00 30.24 29.08 2ava n GLN 62 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2ava n ASP 63 N -2.70 5.54 -4.75 2.61 -0.08 -1.26 -4.97 116.55 110.94 2ava n ASP 63 Ca -0.10 -3.70 -0.39 0.00 -1.51 0.00 0.00 54.79 49.09 2ava n ASP 63 Cb 0.60 -0.88 -0.05 0.00 2.34 0.00 0.00 41.12 43.12 2ava n ASP 63 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2ava s ILE 64 N -4.03 4.84 0.02 5.18 -1.09 -1.26 -5.07 121.20 119.79 2ava s ILE 64 Ca 0.60 1.41 -0.00 0.00 -2.23 0.00 0.00 60.65 60.43 2ava s ILE 64 Cb 0.49 -4.01 0.01 0.00 -1.58 0.00 0.00 42.46 37.37 2ava s ILE 64 CO 0.05 0.39 0.03 -0.24 -1.23 0.00 0.00 174.94 173.94 2ava n SER 65 N 2.77 -0.57 -3.67 3.58 2.88 -1.26 -4.92 113.62 112.44 2ava n SER 65 Ca -0.05 -0.73 -0.22 0.00 -1.33 0.00 0.00 58.87 56.54 2ava n SER 65 Cb 0.51 -0.02 0.17 0.00 -0.75 0.00 0.00 64.21 64.11 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 -2.32 0.00 -0.31 2.46 5.66 -1.26 -4.03 114.28 114.48 2ava n THR 66 Ca 0.00 -0.08 0.30 0.00 -3.05 0.00 0.00 64.05 61.23 2ava n THR 66 Cb 0.01 -0.57 0.66 0.00 -1.55 0.00 0.00 70.33 68.88 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 -2.71 0.46 0.12 1.09 2.04 -1.62 -0.37 117.51 116.53 2ava h ILE 67 Ca -0.31 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.52 2ava h ILE 67 Cb 0.93 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 2ava h ILE 67 CO 0.20 0.03 -0.37 1.56 0.00 0.00 0.00 178.15 179.56 2ava h GLN 68 N 0.15 -0.58 -0.06 2.37 1.08 -0.86 -0.26 115.11 116.94 2ava h GLN 68 Ca 0.56 0.04 -0.17 0.00 -1.45 0.00 0.00 58.65 57.64 2ava h GLN 68 Cb 1.92 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 29.48 2ava h GLN 68 CO -0.12 -0.39 -0.69 0.37 -0.95 0.00 0.00 178.83 177.05 2ava h GLN 69 N -0.60 0.28 0.03 1.46 4.15 -1.44 -3.12 115.11 115.87 2ava h GLN 69 Ca 0.03 -0.22 0.03 0.00 0.77 0.00 0.00 58.65 59.25 2ava h GLN 69 Cb 0.63 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.33 2ava h GLN 69 CO -0.22 0.86 -0.21 0.00 -1.93 0.00 0.00 178.83 177.33 2ava h ALA 70 N 1.08 -0.30 -0.93 3.38 0.00 -0.70 0.52 119.26 122.31 2ava h ALA 70 Ca -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2ava h ALA 70 Cb 1.24 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 19.35 2ava h ALA 70 CO 0.11 -0.72 0.61 0.00 0.00 0.00 0.00 179.25 179.25 2ava h ALA 71 N 0.50 1.36 -0.25 0.00 0.00 -1.11 -1.76 119.26 118.01 2ava h ALA 71 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2ava h ALA 71 Cb 0.42 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2ava h ALA 71 CO -0.18 0.58 0.11 0.22 0.00 0.00 0.00 179.25 179.98 2ava h ASP 72 N 1.23 0.33 0.68 0.00 1.82 -1.33 -1.23 116.42 117.91 2ava h ASP 72 Ca 0.35 -0.15 -0.03 0.00 -0.39 0.00 0.00 57.03 56.81 2ava h ASP 72 Cb -0.10 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 39.83 2ava h ASP 72 CO -0.09 0.39 -0.35 0.58 -1.61 0.00 0.00 179.24 178.17 2ava h VAL 73 N 0.25 0.29 -0.99 2.25 2.07 -0.53 -2.75 116.25 116.84 2ava h VAL 73 Ca 0.08 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.75 2ava h VAL 73 Cb 0.15 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 30.12 2ava h VAL 73 CO -0.01 0.00 0.62 0.40 0.02 0.00 0.00 177.57 178.60 2ava h ILE 74 N -0.94 0.84 -0.82 4.57 5.03 -1.33 -0.79 117.51 124.06 2ava h ILE 74 Ca -0.09 -0.30 0.15 0.00 -0.12 0.00 0.00 64.86 64.50 2ava h ILE 74 Cb 0.73 -0.11 -0.09 0.00 -3.03 0.00 0.00 36.82 34.32 2ava h ILE 74 CO 0.13 0.16 0.39 -0.33 -0.68 0.00 0.00 178.15 177.83 2ava h GLU 75 N 0.87 0.54 -0.21 2.37 5.08 -0.93 0.49 114.58 122.80 2ava h GLU 75 Ca 0.52 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.70 2ava h GLU 75 Cb 0.67 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2ava h GLU 75 CO -0.29 0.36 -0.46 0.78 -1.00 0.00 0.00 179.01 178.40 2ava h GLY 76 N 0.56 0.58 2.00 -3.84 0.00 -0.99 -2.82 103.07 98.56 2ava h GLY 76 Ca 0.45 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2ava h GLY 76 CO -0.38 0.55 0.00 1.41 0.00 0.00 0.00 176.54 178.12 2ava h LEU 77 N 0.43 0.00 -1.17 3.11 3.38 -0.78 0.16 115.31 120.44 2ava h LEU 77 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2ava h LEU 77 Cb 0.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2ava h LEU 77 CO 0.09 0.00 -0.11 -0.07 0.09 0.00 0.00 178.44 178.43 2ava h LEU 78 N 0.00 0.00 0.00 1.67 3.38 -0.70 -3.29 115.31 116.37 2ava h LEU 78 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2ava h LEU 78 Cb 0.58 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 2ava h LEU 78 CO 0.00 0.11 -2.26 -0.62 0.09 0.00 0.00 178.44 175.76 2ava n GLU 79 N -3.24 0.53 0.00 1.13 1.02 -1.06 -5.00 120.64 114.02 2ava n GLU 79 Ca 0.01 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2ava n GLU 79 Cb 0.39 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 2ava n GLU 79 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2ava n LYS 80 N -3.38 0.00 -3.59 3.49 -0.00 -0.78 -5.16 118.16 108.74 2ava n LYS 80 Ca -0.41 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 57.86 2ava n LYS 80 Cb 0.89 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.90 2ava n LYS 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2ava s LYS 81 N -1.96 0.34 0.00 -1.58 -2.85 0.48 -4.76 119.74 109.41 2ava s LYS 81 Ca 0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 55.97 54.84 2ava s LYS 81 Cb 0.00 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 35.92 2ava s LYS 81 CO 0.00 -0.15 0.38 0.00 0.10 0.00 0.00 175.35 175.68