#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a44 h GLU 3 N 0.00 0.00 0.08 -1.40 3.07 -1.94 0.17 114.58 114.57 3a44 h GLU 3 Ca 0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 3a44 h GLU 3 Cb 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 27.92 3a44 h GLU 3 CO 0.00 0.00 -0.67 -1.49 -1.40 0.00 0.00 179.01 175.45 3a44 h TRP 4 N 0.00 0.32 0.00 4.33 -0.00 -1.95 -1.75 115.95 116.89 3a44 h TRP 4 Ca 0.33 -0.23 -0.00 0.00 -0.00 0.00 0.00 58.89 58.99 3a44 h TRP 4 Cb 2.46 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.16 31.61 3a44 h TRP 4 CO 0.00 1.26 -0.02 0.00 -0.00 0.00 0.00 178.44 179.68 3a44 h ALA 5 N -0.00 1.00 0.06 1.49 0.00 -1.44 -1.01 119.26 119.36 3a44 h ALA 5 Ca -0.13 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3a44 h ALA 5 Cb 1.43 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.23 3a44 h ALA 5 CO 0.07 0.02 -0.55 1.25 0.00 0.00 0.00 179.25 180.04 3a44 h LEU 6 N 0.00 0.38 -1.11 0.00 5.85 -1.31 -2.99 115.31 116.13 3a44 h LEU 6 Ca -0.00 -0.88 -0.09 0.00 0.84 0.00 0.00 57.88 57.75 3a44 h LEU 6 Cb 0.56 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3a44 h LEU 6 CO 0.00 1.22 -0.44 0.00 -0.34 0.00 0.00 178.44 178.88 3a44 h ALA 7 N 0.17 1.24 -0.04 1.25 0.00 -1.09 -2.66 119.26 118.12 3a44 h ALA 7 Ca -0.09 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 3a44 h ALA 7 Cb 1.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3a44 h ALA 7 CO 0.11 0.55 -0.57 0.22 0.00 0.00 0.00 179.25 179.56 3a44 h ASP 8 N 0.00 0.14 0.62 0.00 3.58 -1.25 -2.07 116.42 117.43 3a44 h ASP 8 Ca -0.00 -0.07 -0.28 0.00 0.42 0.00 0.00 57.03 57.10 3a44 h ASP 8 Cb 0.80 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.78 3a44 h ASP 8 CO 0.06 0.68 -1.43 0.00 -2.88 0.00 0.00 179.24 175.66 3a44 h ALA 9 N 1.33 0.43 0.08 -0.78 0.00 -1.41 -3.12 119.26 115.79 3a44 h ALA 9 Ca -0.00 -1.15 -0.00 0.00 0.00 0.00 0.00 54.91 53.75 3a44 h ALA 9 Cb 1.03 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3a44 h ALA 9 CO 0.08 1.29 -0.04 0.82 0.00 0.00 0.00 179.25 181.41 3a44 h ILE 10 N 0.03 1.15 -0.18 0.00 2.04 -1.48 -2.46 117.51 116.61 3a44 h ILE 10 Ca -0.19 -0.92 0.05 0.00 1.00 0.00 0.00 64.86 64.81 3a44 h ILE 10 Cb 1.94 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 39.76 3a44 h ILE 10 CO 0.13 0.22 0.14 0.58 0.00 0.00 0.00 178.15 179.23 3a44 h VAL 11 N -0.53 0.78 -0.00 1.67 2.07 -1.51 -0.81 116.25 117.91 3a44 h VAL 11 Ca -0.01 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.30 3a44 h VAL 11 Cb 0.45 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3a44 h VAL 11 CO 0.02 0.00 -0.91 0.03 0.02 0.00 0.00 177.57 176.73 3a44 h ARG 12 N 0.00 0.33 -0.29 1.57 3.08 -1.46 -2.10 114.38 115.51 3a44 h ARG 12 Ca 0.09 -0.35 -0.18 0.00 0.07 0.00 0.00 59.98 59.60 3a44 h ARG 12 Cb 0.37 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3a44 h ARG 12 CO -0.00 1.04 -0.53 1.15 -1.07 0.00 0.00 179.97 180.56 3a44 h THR 13 N 0.19 1.28 0.69 2.04 2.02 -0.72 -1.42 112.91 116.98 3a44 h THR 13 Ca -0.06 -1.71 -0.03 0.00 0.77 0.00 0.00 66.41 65.37 3a44 h THR 13 Cb 1.54 1.63 0.01 0.00 -1.74 0.00 0.00 68.15 69.58 3a44 h THR 13 CO 0.15 0.56 -0.33 0.58 0.37 0.00 0.00 175.52 176.85 3a44 h VAL 14 N 0.66 0.00 -0.91 3.16 2.07 -1.23 -2.12 116.25 117.88 3a44 h VAL 14 Ca 0.02 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3a44 h VAL 14 Cb 1.14 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3a44 h VAL 14 CO 0.12 0.00 0.60 -0.07 0.02 0.00 0.00 177.57 178.24 3a44 h LEU 15 N -1.22 1.01 -0.53 2.57 3.38 -1.49 0.49 115.31 119.52 3a44 h LEU 15 Ca -0.09 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 57.91 3a44 h LEU 15 Cb 0.71 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3a44 h LEU 15 CO 0.16 0.71 0.24 0.44 0.09 0.00 0.00 178.44 180.08 3a44 h ASP 16 N 1.18 0.32 -0.05 -0.43 3.32 -1.27 0.21 116.42 119.69 3a44 h ASP 16 Ca 0.35 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 3a44 h ASP 16 Cb -0.06 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3a44 h ASP 16 CO -0.09 0.21 0.01 0.22 -1.72 0.00 0.00 179.24 177.87 3a44 h TYR 17 N 0.46 0.09 -0.41 4.55 5.03 -0.60 -2.04 116.97 124.05 3a44 h TYR 17 Ca 0.24 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.61 3a44 h TYR 17 Cb 0.20 -0.03 -0.06 0.00 1.55 0.00 0.00 36.73 38.40 3a44 h TYR 17 CO -0.12 0.31 0.06 0.00 -1.32 0.00 0.00 178.16 177.08 3a44 h ALA 18 N 0.77 0.43 0.02 1.82 0.00 -0.54 -2.72 119.26 119.05 3a44 h ALA 18 Ca 0.02 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3a44 h ALA 18 Cb 0.26 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3a44 h ALA 18 CO 0.00 -0.34 -0.37 0.37 0.00 0.00 0.00 179.25 178.91 3a44 h GLN 19 N 0.18 -0.46 -0.95 0.00 5.75 -0.42 0.15 115.11 119.37 3a44 h GLN 19 Ca 0.20 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 3a44 h GLN 19 Cb 0.26 0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.91 3a44 h GLN 19 CO -0.28 -0.31 0.00 2.89 -2.65 0.00 0.00 178.83 178.48 3a44 n ARG 20 N -4.52 0.53 0.00 1.69 1.85 -0.78 -1.24 116.66 114.19 3a44 n ARG 20 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 3a44 n ARG 20 Cb 0.27 -1.25 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 3a44 n ARG 20 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3a44 n GLU 21 N 0.46 0.07 -3.23 2.89 -0.58 -0.04 -5.01 120.64 115.20 3a44 n GLU 21 Ca 0.00 -0.31 -0.18 0.00 -0.42 0.00 0.00 57.16 56.25 3a44 n GLU 21 Cb 0.19 -0.53 -0.02 0.00 -0.57 0.00 0.00 31.44 30.51 3a44 n GLU 21 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a44 n GLY 22 N -0.02 -0.47 3.76 0.62 0.00 -0.38 -4.87 105.19 103.83 3a44 n GLY 22 Ca 0.00 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3a44 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a44 s ALA 23 N -2.65 2.40 -0.88 4.61 0.00 -1.05 -4.94 121.76 119.26 3a44 s ALA 23 Ca 0.32 0.66 0.20 0.00 0.00 0.00 0.00 51.96 53.14 3a44 s ALA 23 Cb -0.18 -3.36 -0.22 0.00 0.00 0.00 0.00 23.12 19.36 3a44 s ALA 23 CO 0.39 -1.38 0.82 -1.13 0.00 0.00 0.00 175.76 174.46 3a44 n SER 24 N -2.38 0.90 -3.61 0.00 3.41 -1.26 -4.91 113.62 105.76 3a44 n SER 24 Ca 0.11 -0.90 -0.06 0.00 -0.26 0.00 0.00 58.87 57.76 3a44 n SER 24 Cb 0.51 1.07 -0.05 0.00 -0.26 0.00 0.00 64.21 65.48 3a44 n SER 24 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3a44 s ARG 25 N -2.92 0.33 -0.37 4.33 3.52 -1.26 -4.93 118.95 117.65 3a44 s ARG 25 Ca 0.06 0.11 -0.07 0.00 -0.13 0.00 0.00 55.73 55.70 3a44 s ARG 25 Cb 0.15 0.16 0.05 0.00 -1.56 0.00 0.00 34.95 33.75 3a44 s ARG 25 CO 0.82 -0.10 0.17 0.08 -0.81 0.00 0.00 175.30 175.46 3a44 s VAL 26 N -0.94 3.95 0.00 7.11 1.01 -1.10 -4.99 120.40 125.45 3a44 s VAL 26 Ca 0.03 -1.25 -0.22 0.00 0.00 0.00 0.00 61.98 60.54 3a44 s VAL 26 Cb -0.01 -3.32 -0.18 0.00 0.00 0.00 0.00 36.38 32.87 3a44 s VAL 26 CO -0.04 -0.32 1.24 0.11 0.00 0.00 0.00 175.10 176.09 3a44 h LYS 27 N 8.28 0.25 -3.45 2.72 1.79 -1.92 -3.35 116.57 120.88 3a44 h LYS 27 Ca -0.23 -0.16 -0.05 0.00 -2.18 0.00 0.00 60.65 58.03 3a44 h LYS 27 Cb 1.08 0.02 -0.12 0.00 -1.58 0.00 0.00 32.23 31.64 3a44 h LYS 27 CO 0.66 0.76 -0.08 0.00 -1.08 0.00 0.00 179.45 179.70 3a44 s ALA 28 N -3.95 -0.75 -0.02 3.86 0.00 -1.26 -0.02 121.76 119.62 3a44 s ALA 28 Ca -0.15 -0.28 -0.00 0.00 0.00 0.00 0.00 51.96 51.53 3a44 s ALA 28 Cb 0.03 0.78 0.03 0.00 0.00 0.00 0.00 23.12 23.96 3a44 s ALA 28 CO 0.74 -0.70 0.03 0.08 0.00 0.00 0.00 175.76 175.91 3a44 s VAL 29 N -3.86 -0.06 -0.29 0.00 1.01 -0.39 -4.88 120.40 111.93 3a44 s VAL 29 Ca 0.08 0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.21 3a44 s VAL 29 Cb 0.01 -0.09 0.02 0.00 0.00 0.00 0.00 36.38 36.32 3a44 s VAL 29 CO -0.06 0.09 0.06 -0.60 0.00 0.00 0.00 175.10 174.58 3a44 s ARG 30 N 1.04 2.94 -0.07 2.72 3.52 -1.26 -1.78 118.95 126.06 3a44 s ARG 30 Ca -0.09 -0.95 0.00 0.00 -0.13 0.00 0.00 55.73 54.57 3a44 s ARG 30 Cb -0.12 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 3a44 s ARG 30 CO -0.03 -0.48 -0.06 0.08 -0.81 0.00 0.00 175.30 174.00 3a44 s VAL 31 N 1.44 3.79 -0.18 7.11 1.01 -0.19 -5.01 120.40 128.37 3a44 s VAL 31 Ca 0.01 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 3a44 s VAL 31 Cb -0.18 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 3a44 s VAL 31 CO 0.01 0.60 -0.02 -0.69 0.00 0.00 0.00 175.10 175.00 3a44 s VAL 32 N -0.82 3.88 -0.09 2.92 1.01 -1.26 -0.72 120.40 125.33 3a44 s VAL 32 Ca 0.12 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3a44 s VAL 32 Cb -0.11 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.55 3a44 s VAL 32 CO 0.02 0.46 -0.16 -0.76 0.00 0.00 0.00 175.10 174.66 3a44 s LEU 33 N 0.74 1.75 0.29 3.92 1.02 -0.89 -4.93 118.68 120.57 3a44 s LEU 33 Ca -0.01 -0.40 -0.30 0.00 0.02 0.00 0.00 54.13 53.44 3a44 s LEU 33 Cb -0.14 -1.05 -0.11 0.00 0.02 0.00 0.00 46.19 44.91 3a44 s LEU 33 CO 0.02 0.04 1.50 -0.83 0.02 0.00 0.00 176.35 177.11 3a44 s GLY 34 N 0.78 2.34 0.15 -3.19 0.00 -1.26 0.45 107.32 106.59 3a44 s GLY 34 Ca -0.11 1.46 0.06 0.00 0.00 0.00 0.00 44.72 46.12 3a44 s GLY 34 CO 0.02 2.37 1.02 -2.21 0.00 0.00 0.00 173.10 174.30 3a44 n GLU 35 N 1.96 0.04 0.00 2.90 2.13 0.49 0.84 120.64 129.00 3a44 n GLU 35 Ca 0.06 0.42 0.12 0.00 0.66 0.00 0.00 57.16 58.42 3a44 n GLU 35 Cb 0.39 -1.88 0.20 0.00 0.27 0.00 0.00 31.44 30.42 3a44 n GLU 35 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3a44 n LEU 36 N -1.64 0.94 -4.72 4.31 4.77 -1.26 -4.89 117.00 114.52 3a44 n LEU 36 Ca -0.00 -0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.30 3a44 n LEU 36 Cb 0.26 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3a44 n LEU 36 CO 0.03 0.20 0.87 -1.10 -1.33 0.00 0.00 177.39 176.06 3a44 s GLN 37 N -2.77 4.46 -0.27 3.23 -1.52 0.25 -4.92 119.66 118.11 3a44 s GLN 37 Ca 0.16 1.77 0.12 0.00 -1.95 0.00 0.00 55.36 55.45 3a44 s GLN 37 Cb 0.18 -3.33 0.78 0.00 -0.22 0.00 0.00 33.01 30.42 3a44 s GLN 37 CO 0.65 -0.20 1.76 -0.40 -0.25 0.00 0.00 175.29 176.85 3a44 n ASP 38 N 3.64 5.30 -4.85 5.90 5.75 -1.26 -4.97 116.55 126.06 3a44 n ASP 38 Ca 0.08 -3.04 -0.32 0.00 -0.01 0.00 0.00 54.79 51.50 3a44 n ASP 38 Cb 0.46 -0.71 -0.05 0.00 -1.03 0.00 0.00 41.12 39.79 3a44 n ASP 38 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3a44 s VAL 39 N -2.82 4.64 -0.27 2.12 -7.23 -1.26 -5.03 120.40 110.54 3a44 s VAL 39 Ca 0.54 0.98 -0.22 0.00 -1.81 0.00 0.00 61.98 61.47 3a44 s VAL 39 Cb 0.42 -3.67 -0.01 0.00 0.56 0.00 0.00 36.38 33.68 3a44 s VAL 39 CO 0.15 -0.43 0.71 0.00 -0.31 0.00 0.00 175.10 175.22 3a44 s ALA 40 N -2.28 3.58 0.27 1.32 0.00 -1.26 -4.97 121.76 118.43 3a44 s ALA 40 Ca 0.55 -0.41 -0.00 0.00 0.00 0.00 0.00 51.96 52.10 3a44 s ALA 40 Cb -0.10 -3.17 0.38 0.00 0.00 0.00 0.00 23.12 20.24 3a44 s ALA 40 CO 0.24 -0.98 1.76 0.93 0.00 0.00 0.00 175.76 177.71 3a44 h GLU 41 N 7.96 0.69 0.00 0.00 5.08 -1.99 -2.64 114.58 123.67 3a44 h GLU 41 Ca -0.25 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 3a44 h GLU 41 Cb 1.11 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 3a44 h GLU 41 CO 0.83 0.75 -0.05 0.38 -1.00 0.00 0.00 179.01 179.92 3a44 h ASP 42 N 0.64 0.00 0.89 1.42 -0.00 -1.99 -1.87 116.42 115.51 3a44 h ASP 42 Ca 0.12 0.00 -0.22 0.00 -0.00 0.00 0.00 57.03 56.93 3a44 h ASP 42 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.80 3a44 h ASP 42 CO 0.03 0.05 -1.02 0.40 -0.00 0.00 0.00 179.24 178.69 3a44 h ILE 43 N 0.00 1.65 -0.12 4.15 2.04 -1.91 -2.02 117.51 121.30 3a44 h ILE 43 Ca -0.00 -3.26 -0.13 0.00 1.00 0.00 0.00 64.86 62.47 3a44 h ILE 43 Cb 0.64 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.55 3a44 h ILE 43 CO 0.01 0.94 -0.42 0.58 0.00 0.00 0.00 178.15 179.26 3a44 h VAL 44 N 0.02 1.37 -0.74 1.67 2.07 -1.12 -1.91 116.25 117.60 3a44 h VAL 44 Ca -0.04 -1.72 -0.04 0.00 0.82 0.00 0.00 66.70 65.72 3a44 h VAL 44 Cb 1.77 2.12 -0.03 0.00 -1.52 0.00 0.00 31.29 33.62 3a44 h VAL 44 CO 0.14 0.52 0.29 0.11 0.02 0.00 0.00 177.57 178.65 3a44 h LYS 45 N 0.10 1.11 -0.40 1.57 1.57 -1.41 -0.05 116.57 119.08 3a44 h LYS 45 Ca -0.02 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.56 3a44 h LYS 45 Cb 1.04 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 3a44 h LYS 45 CO 0.09 0.91 0.25 0.35 -0.57 0.00 0.00 179.45 180.49 3a44 h PHE 46 N 1.07 0.48 0.00 -1.35 3.57 -1.34 0.32 116.94 119.69 3a44 h PHE 46 Ca 0.25 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 3a44 h PHE 46 Cb 0.22 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 3a44 h PHE 46 CO 0.02 0.29 -0.08 0.00 -2.23 0.00 0.00 178.31 176.32 3a44 h ALA 47 N 1.15 1.00 0.05 2.41 0.00 -0.99 -2.76 119.26 120.12 3a44 h ALA 47 Ca 0.15 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3a44 h ALA 47 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3a44 h ALA 47 CO -0.04 0.09 -0.02 0.52 0.00 0.00 0.00 179.25 179.80 3a44 h MET 48 N 0.00 -0.06 -0.84 0.00 2.86 -0.28 -3.15 114.93 113.45 3a44 h MET 48 Ca -0.00 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 57.87 3a44 h MET 48 Cb 0.66 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.29 3a44 h MET 48 CO 0.01 0.48 0.59 0.93 1.06 0.00 0.00 176.91 179.99 3a44 h GLU 49 N -0.95 0.10 0.00 1.72 5.08 -0.91 0.39 114.58 120.01 3a44 h GLU 49 Ca -0.01 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 3a44 h GLU 49 Cb 0.57 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3a44 h GLU 49 CO 0.01 0.07 -0.52 1.96 -1.00 0.00 0.00 179.01 179.53 3a44 h GLN 50 N 0.10 0.00 0.00 2.33 1.08 -1.58 -2.18 115.11 114.86 3a44 h GLN 50 Ca 0.41 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.44 3a44 h GLN 50 Cb 1.47 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.88 3a44 h GLN 50 CO -0.05 0.52 -1.16 -0.07 -0.95 0.00 0.00 178.83 177.12 3a44 h LEU 51 N 0.00 0.00 -0.10 1.46 3.38 -0.30 -3.29 115.31 116.45 3a44 h LEU 51 Ca -0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 3a44 h LEU 51 Cb 1.28 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 3a44 h LEU 51 CO 0.07 0.66 -0.89 -0.26 0.09 0.00 0.00 178.44 178.11 3a44 h PHE 52 N 0.00 0.00 -1.55 1.13 0.05 -0.87 -3.44 116.94 112.26 3a44 h PHE 52 Ca -0.12 0.00 -0.70 0.00 3.82 0.00 0.00 57.97 60.97 3a44 h PHE 52 Cb 1.61 0.00 0.01 0.00 2.00 0.00 0.00 35.95 39.56 3a44 h PHE 52 CO 0.00 0.89 1.05 0.00 -0.18 0.00 0.00 178.31 180.07 3a44 n ALA 53 N -2.34 0.29 0.00 2.45 0.00 -0.82 -0.49 120.51 119.60 3a44 n ALA 53 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.72 3a44 n ALA 53 Cb 0.87 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.98 3a44 n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a44 n GLY 54 N 4.72 3.13 3.98 0.00 0.00 -1.26 -5.02 105.19 110.75 3a44 n GLY 54 Ca 0.29 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.11 3a44 n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a44 s THR 55 N -2.96 3.24 -0.28 2.61 2.01 0.35 -4.97 115.64 115.65 3a44 s THR 55 Ca 0.00 -0.80 0.14 0.00 0.31 0.00 0.00 61.69 61.33 3a44 s THR 55 Cb 0.00 -3.15 0.14 0.00 0.01 0.00 0.00 72.50 69.50 3a44 s THR 55 CO 0.00 -0.08 1.37 2.30 -0.69 0.00 0.00 174.62 177.51 3a44 n ILE 56 N -2.02 1.05 1.51 1.82 -5.35 -1.26 -1.42 119.36 113.70 3a44 n ILE 56 Ca 0.05 0.68 0.14 0.00 -0.27 0.00 0.00 62.75 63.36 3a44 n ILE 56 Cb 0.59 -1.68 0.54 0.00 -1.74 0.00 0.00 39.64 37.35 3a44 n ILE 56 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a44 n ALA 57 N -1.62 2.58 -1.69 -1.28 0.00 -1.26 -2.71 120.51 114.52 3a44 n ALA 57 Ca -0.01 -0.43 -0.45 0.00 0.00 0.00 0.00 53.44 52.55 3a44 n ALA 57 Cb 0.14 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 3a44 n ALA 57 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3a44 n GLU 58 N 0.10 2.34 0.00 0.00 2.13 -0.51 -1.71 120.64 122.99 3a44 n GLU 58 Ca 0.19 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.85 3a44 n GLU 58 Cb 0.33 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.41 3a44 n GLU 58 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a44 n GLY 59 N 3.46 1.90 3.58 8.31 0.00 -1.26 -4.96 105.19 116.23 3a44 n GLY 59 Ca 0.16 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.72 3a44 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a44 n ALA 60 N -1.02 -0.50 -2.44 4.61 0.00 -0.69 -4.89 120.51 115.58 3a44 n ALA 60 Ca 0.00 0.42 -0.42 0.00 0.00 0.00 0.00 53.44 53.44 3a44 n ALA 60 Cb 0.00 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 3a44 n ALA 60 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3a44 s GLU 61 N -0.96 4.33 -0.32 0.00 2.02 0.98 -4.88 118.70 119.87 3a44 s GLU 61 Ca 0.66 1.69 -0.09 0.00 0.02 0.00 0.00 54.97 57.24 3a44 s GLU 61 Cb -0.77 -3.60 -0.00 0.00 0.10 0.00 0.00 34.13 29.86 3a44 s GLU 61 CO 0.56 -0.50 0.15 0.42 0.02 0.00 0.00 175.26 175.91 3a44 s ILE 62 N 2.45 4.51 -0.05 -1.63 1.01 -1.26 -1.26 121.20 124.97 3a44 s ILE 62 Ca 0.56 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.73 3a44 s ILE 62 Cb -0.25 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 3a44 s ILE 62 CO 0.21 0.03 -0.13 -0.70 0.00 0.00 0.00 174.94 174.35 3a44 s GLU 63 N 1.59 2.56 -0.08 2.79 2.12 -0.73 -5.02 118.70 121.93 3a44 s GLU 63 Ca 0.04 -0.67 0.05 0.00 0.36 0.00 0.00 54.97 54.74 3a44 s GLU 63 Cb -0.17 -2.41 -0.01 0.00 0.26 0.00 0.00 34.13 31.80 3a44 s GLU 63 CO 0.06 0.62 -0.23 -0.06 -0.54 0.00 0.00 175.26 175.11 3a44 s PHE 64 N -0.72 2.53 -0.18 5.30 2.99 -1.26 -1.02 117.98 125.63 3a44 s PHE 64 Ca 0.11 -0.77 0.01 0.00 0.00 0.00 0.00 56.93 56.28 3a44 s PHE 64 Cb -0.11 -1.66 0.03 0.00 0.00 0.00 0.00 43.02 41.28 3a44 s PHE 64 CO 0.01 -0.25 -0.13 0.08 -0.00 0.00 0.00 175.22 174.93 3a44 s VAL 65 N -0.00 1.68 0.31 -0.44 1.01 0.11 -4.97 120.40 118.09 3a44 s VAL 65 Ca -0.08 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.73 3a44 s VAL 65 Cb -0.15 -1.66 -0.10 0.00 0.00 0.00 0.00 36.38 34.47 3a44 s VAL 65 CO 0.05 0.32 1.41 -0.70 0.00 0.00 0.00 175.10 176.18 3a44 s GLU 66 N 1.41 4.26 -0.42 2.72 2.12 -1.26 -2.10 118.70 125.44 3a44 s GLU 66 Ca 0.02 2.34 -0.08 0.00 0.36 0.00 0.00 54.97 57.60 3a44 s GLU 66 Cb -0.15 -3.06 0.08 0.00 0.26 0.00 0.00 34.13 31.26 3a44 s GLU 66 CO -0.10 -0.37 0.25 -2.00 -0.54 0.00 0.00 175.26 172.51 3a44 s GLU 67 N -1.24 2.54 0.44 4.30 2.12 0.17 -4.85 118.70 122.18 3a44 s GLU 67 Ca 0.54 -1.50 -0.25 0.00 0.36 0.00 0.00 54.97 54.12 3a44 s GLU 67 Cb -0.42 -3.75 -0.08 0.00 0.26 0.00 0.00 34.13 30.13 3a44 s GLU 67 CO 0.51 -0.97 1.40 -1.21 -0.54 0.00 0.00 175.26 174.45 3a44 s GLU 68 N 1.39 3.74 0.36 4.30 2.02 -1.26 0.19 118.70 129.44 3a44 s GLU 68 Ca 0.03 2.35 -0.26 0.00 0.02 0.00 0.00 54.97 57.11 3a44 s GLU 68 Cb -0.23 -2.67 -0.09 0.00 0.10 0.00 0.00 34.13 31.24 3a44 s GLU 68 CO 0.01 -0.74 1.11 0.00 0.02 0.00 0.00 175.26 175.66 3a44 s ALA 69 N -1.22 3.21 -0.07 5.21 0.00 -1.26 -4.75 121.76 122.88 3a44 s ALA 69 Ca 0.60 0.86 -0.03 0.00 0.00 0.00 0.00 51.96 53.38 3a44 s ALA 69 Cb -0.42 -3.33 0.04 0.00 0.00 0.00 0.00 23.12 19.41 3a44 s ALA 69 CO 0.54 -0.31 0.17 0.08 0.00 0.00 0.00 175.76 176.24 3a44 s VAL 70 N -1.42 -0.05 0.12 0.00 1.01 -1.26 -3.84 120.40 114.97 3a44 s VAL 70 Ca 0.54 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.76 3a44 s VAL 70 Cb -0.28 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 3a44 s VAL 70 CO 0.36 0.07 -0.11 -0.36 0.00 0.00 0.00 175.10 175.05 3a44 s PHE 71 N 1.16 2.67 -0.22 5.22 0.40 -0.45 -4.98 117.98 121.79 3a44 s PHE 71 Ca -0.09 -0.19 -0.00 0.00 -0.60 0.00 0.00 56.93 56.04 3a44 s PHE 71 Cb -0.11 -1.38 0.06 0.00 0.51 0.00 0.00 43.02 42.10 3a44 s PHE 71 CO -0.06 0.44 -0.03 0.21 0.70 0.00 0.00 175.22 176.48 3a44 s LYS 72 N -2.34 1.31 0.18 0.44 2.20 -1.26 -1.78 119.74 118.48 3a44 s LYS 72 Ca 0.21 -0.79 -0.32 0.00 -0.36 0.00 0.00 55.97 54.72 3a44 s LYS 72 Cb -0.10 -2.41 -0.11 0.00 -1.51 0.00 0.00 37.83 33.70 3a44 s LYS 72 CO 0.13 -0.60 1.63 0.00 -0.36 0.00 0.00 175.35 176.15 3a44 n ARG 74 N 4.04 1.85 -0.13 0.00 1.85 -1.26 -0.58 116.66 122.43 3a44 n ARG 74 Ca 0.15 -1.30 -0.28 0.00 -1.00 0.00 0.00 57.85 55.42 3a44 n ARG 74 Cb 0.37 -1.37 -0.10 0.00 -1.05 0.00 0.00 32.46 30.31 3a44 n ARG 74 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3a44 n ASN 75 N 0.53 1.93 -0.15 2.89 5.15 -1.26 -4.58 115.26 119.78 3a44 n ASN 75 Ca 0.15 0.36 0.08 0.00 -0.60 0.00 0.00 54.58 54.58 3a44 n ASN 75 Cb 0.35 -0.86 0.13 0.00 -0.53 0.00 0.00 39.78 38.87 3a44 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3a44 n ASN 77 N -1.16 -1.25 -4.74 0.00 3.02 0.25 -4.88 115.26 106.51 3a44 n ASN 77 Ca 0.14 -0.67 -0.37 0.00 -0.03 0.00 0.00 54.58 53.64 3a44 n ASN 77 Cb 0.60 -1.11 -0.06 0.00 -0.61 0.00 0.00 39.78 38.59 3a44 n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3a44 s TYR 78 N -2.45 3.53 -0.13 3.10 5.04 -1.21 -4.79 117.35 120.44 3a44 s TYR 78 Ca 0.50 0.82 -0.06 0.00 -2.44 0.00 0.00 57.07 55.89 3a44 s TYR 78 Cb -0.29 -2.45 -0.04 0.00 0.35 0.00 0.00 41.96 39.53 3a44 s TYR 78 CO 0.62 0.26 0.09 -1.21 -1.34 0.00 0.00 175.55 173.97 3a44 s GLU 79 N 0.31 3.54 0.06 4.97 2.02 -1.26 -1.44 118.70 126.89 3a44 s GLU 79 Ca 0.23 -0.25 -0.13 0.00 0.02 0.00 0.00 54.97 54.85 3a44 s GLU 79 Cb -0.15 -3.13 0.02 0.00 0.10 0.00 0.00 34.13 30.96 3a44 s GLU 79 CO 0.09 0.60 0.28 1.67 0.02 0.00 0.00 175.26 177.93 3a44 s TRP 80 N -0.55 -0.06 0.36 1.61 -2.14 -0.74 -5.01 118.94 112.42 3a44 s TRP 80 Ca 0.11 -0.14 0.08 0.00 2.66 0.00 0.00 56.10 58.82 3a44 s TRP 80 Cb -0.12 0.07 -0.05 0.00 -3.10 0.00 0.00 33.47 30.28 3a44 s TRP 80 CO 0.02 -0.52 0.13 0.15 -2.66 0.00 0.00 176.95 174.08 3a44 s LYS 81 N -2.82 2.28 0.00 3.25 1.02 -1.26 -1.34 119.74 120.86 3a44 s LYS 81 Ca -0.03 -1.66 0.00 0.00 0.02 0.00 0.00 55.97 54.30 3a44 s LYS 81 Cb 0.00 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 3a44 s LYS 81 CO -0.05 0.05 0.08 1.28 -0.92 0.00 0.00 175.35 175.79 3a44 n LEU 82 N -1.15 0.08 -0.25 3.17 4.77 -1.25 -3.38 117.00 119.00 3a44 n LEU 82 Ca -0.03 -0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 55.84 3a44 n LEU 82 Cb 0.62 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.71 3a44 n LEU 82 CO 0.44 0.02 0.91 0.11 -1.33 0.00 0.00 177.39 177.54 3a44 h LYS 83 N 0.57 1.13 0.00 3.23 1.79 -1.93 -2.82 116.57 118.54 3a44 h LYS 83 Ca 0.00 -0.29 -0.01 0.00 -2.18 0.00 0.00 60.65 58.17 3a44 h LYS 83 Cb 0.04 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.55 3a44 h LYS 83 CO 0.00 1.02 -0.04 0.93 -1.08 0.00 0.00 179.45 180.28 3a44 h GLU 84 N 1.06 0.00 -0.22 3.15 4.39 -2.00 -1.94 114.58 119.02 3a44 h GLU 84 Ca 0.21 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.87 3a44 h GLU 84 Cb 0.42 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3a44 h GLU 84 CO 0.01 0.04 -0.05 0.28 -1.16 0.00 0.00 179.01 178.13 3a44 h VAL 85 N 0.00 1.17 -0.54 3.13 2.07 -1.79 -0.96 116.25 119.34 3a44 h VAL 85 Ca -0.00 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.84 3a44 h VAL 85 Cb 0.19 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3a44 h VAL 85 CO 0.01 0.22 0.36 0.11 0.02 0.00 0.00 177.57 178.28 3a44 h LYS 86 N 0.32 0.70 -0.03 1.57 6.56 -1.49 -0.24 116.57 123.96 3a44 h LYS 86 Ca 0.07 -0.04 -0.09 0.00 -1.06 0.00 0.00 60.65 59.52 3a44 h LYS 86 Cb 0.30 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 31.79 3a44 h LYS 86 CO 0.01 0.47 -0.42 0.38 -2.06 0.00 0.00 179.45 177.83 3a44 h ASP 87 N 0.73 0.06 -0.54 0.86 3.04 -1.29 -2.42 116.42 116.87 3a44 h ASP 87 Ca 0.20 -0.03 -0.06 0.00 -3.24 0.00 0.00 57.03 53.90 3a44 h ASP 87 Cb -0.08 -0.02 -0.03 0.00 -1.04 0.00 0.00 39.33 38.17 3a44 h ASP 87 CO -0.04 0.48 0.13 0.07 -2.04 0.00 0.00 179.24 177.84 3a44 h LYS 88 N 0.05 0.91 -6.38 4.15 5.09 -0.76 -3.52 116.57 116.11 3a44 h LYS 88 Ca 0.00 -0.20 -0.59 0.00 0.09 0.00 0.00 60.65 59.96 3a44 h LYS 88 Cb 0.77 -0.13 0.17 0.00 0.10 0.00 0.00 32.23 33.13 3a44 h LYS 88 CO 0.06 0.81 -0.51 1.19 -2.09 0.00 0.00 179.45 178.91 3a44 n PHE 89 N -4.26 -0.97 0.00 0.07 3.72 -0.91 -5.13 117.46 109.98 3a44 n PHE 89 Ca 0.04 0.49 0.00 0.00 -0.05 0.00 0.00 57.45 57.93 3a44 n PHE 89 Cb 0.24 -1.92 0.00 0.00 -0.94 0.00 0.00 39.48 36.85 3a44 n PHE 89 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3a44 n VAL 104 N -1.42 0.00 -0.64 -4.37 0.24 -1.26 -5.14 118.33 105.74 3a44 n VAL 104 Ca 0.11 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.37 3a44 n VAL 104 Cb 0.45 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.77 3a44 n VAL 104 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a44 n HIS 105 N 0.00 0.00 -1.96 6.34 -0.00 -1.26 -4.84 115.22 113.50 3a44 n HIS 105 Ca 0.00 -1.13 -0.24 0.00 -0.00 0.00 0.00 57.72 56.35 3a44 n HIS 105 Cb 0.00 -0.83 -0.05 0.00 -0.00 0.00 0.00 29.99 29.11 3a44 n HIS 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3a44 s ALA 106 N 0.34 1.48 -0.30 1.59 0.00 -1.26 -4.82 121.76 118.80 3a44 s ALA 106 Ca 0.20 -1.39 -0.11 0.00 0.00 0.00 0.00 51.96 50.66 3a44 s ALA 106 Cb 0.10 -4.56 0.12 0.00 0.00 0.00 0.00 23.12 18.78 3a44 s ALA 106 CO 0.00 -5.03 0.68 -0.06 0.00 0.00 0.00 175.76 171.34 3a44 s PHE 107 N 10.98 -1.27 0.02 0.00 0.40 -1.26 -5.17 117.98 121.68 3a44 s PHE 107 Ca 0.74 2.24 -0.06 0.00 -0.60 0.00 0.00 56.93 59.25 3a44 s PHE 107 Cb -0.08 0.76 -0.01 0.00 0.51 0.00 0.00 43.02 44.21 3a44 s PHE 107 CO 0.01 -0.63 0.12 -0.48 0.70 0.00 0.00 175.22 174.94 3a44 s LEU 108 N 2.68 1.68 0.03 -0.37 -0.00 -1.26 -5.17 118.68 116.27 3a44 s LEU 108 Ca -0.06 -0.39 -0.00 0.00 -0.00 0.00 0.00 54.13 53.67 3a44 s LEU 108 Cb -0.11 0.65 -0.03 0.00 -0.00 0.00 0.00 46.19 46.70 3a44 s LEU 108 CO -0.19 -0.45 -0.03 0.00 -0.00 0.00 0.00 176.35 175.67 3a44 s ALA 109 N -2.09 0.31 0.00 1.48 0.00 -1.26 -4.96 121.76 115.23 3a44 s ALA 109 Ca -0.09 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3a44 s ALA 109 Cb -0.04 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.28 3a44 s ALA 109 CO -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 175.76 175.49 3a44 n PRO 111 N -0.02 0.00 -0.11 0.00 -0.04 -1.26 -2.00 135.00 131.57 3a44 n PRO 111 Ca 0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 3a44 n PRO 111 Cb 0.00 -0.99 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 3a44 n PRO 111 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3a44 n LYS 112 N -0.29 0.60 -0.01 0.54 4.01 -1.26 -4.86 118.16 116.89 3a44 n LYS 112 Ca 0.00 0.37 -0.03 0.00 -0.51 0.00 0.00 58.31 58.14 3a44 n LYS 112 Cb 0.00 -1.61 -0.01 0.00 -0.51 0.00 0.00 35.03 32.90 3a44 n LYS 112 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3a44 n GLY 114 N 2.63 0.20 5.61 0.00 0.00 -0.85 -5.12 105.19 107.68 3a44 n GLY 114 Ca -0.05 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3a44 n GLY 114 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a44 n SER 115 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.15 113.62 113.23 3a44 n SER 115 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3a44 n SER 115 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3a44 n SER 115 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3a44 n HIS 116 N 0.00 0.00 -3.67 7.33 -0.00 -1.26 -4.83 115.22 112.79 3a44 n HIS 116 Ca 0.00 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.80 3a44 n HIS 116 Cb 0.00 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 29.78 3a44 n HIS 116 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3a44 s ASP 117 N 0.00 5.44 -0.01 0.26 2.15 -1.26 -5.04 116.67 118.21 3a44 s ASP 117 Ca 0.00 -2.63 -0.05 0.00 0.43 0.00 0.00 52.55 50.30 3a44 s ASP 117 Cb 0.00 -1.90 0.00 0.00 -0.30 0.00 0.00 42.92 40.72 3a44 s ASP 117 CO 0.00 -0.45 0.11 0.72 -0.17 0.00 0.00 175.17 175.38 3a44 s PHE 118 N 0.27 0.01 0.36 -5.34 -0.12 -1.26 -5.06 117.98 106.85 3a44 s PHE 118 Ca 0.15 -0.03 0.08 0.00 -0.05 0.00 0.00 56.93 57.07 3a44 s PHE 118 Cb -0.20 -0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.12 3a44 s PHE 118 CO -0.04 -0.19 0.28 -1.83 -0.05 0.00 0.00 175.22 173.38 3a44 s GLU 119 N -0.89 2.57 -0.49 1.99 -1.05 -1.26 -5.09 118.70 114.48 3a44 s GLU 119 Ca -0.10 -1.45 -0.17 0.00 -0.15 0.00 0.00 54.97 53.10 3a44 s GLU 119 Cb -0.06 -2.36 0.06 0.00 -0.44 0.00 0.00 34.13 31.34 3a44 s GLU 119 CO 0.01 0.01 0.51 0.08 0.95 0.00 0.00 175.26 176.82 3a44 s VAL 120 N -2.39 5.05 0.12 1.83 1.01 -1.26 -4.93 120.40 119.83 3a44 s VAL 120 Ca 0.42 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 3a44 s VAL 120 Cb -0.04 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 3a44 s VAL 120 CO 0.26 -0.69 1.52 0.58 0.00 0.00 0.00 175.10 176.77 3a44 h VAL 121 N 5.81 1.28 -3.96 2.92 2.07 -2.08 -3.45 116.25 118.84 3a44 h VAL 121 Ca -0.28 -1.17 -0.30 0.00 0.82 0.00 0.00 66.70 65.77 3a44 h VAL 121 Cb 1.10 1.26 -0.23 0.00 -1.52 0.00 0.00 31.29 31.90 3a44 h VAL 121 CO 0.92 0.39 -0.74 -0.54 0.02 0.00 0.00 177.57 177.61 3a44 s LYS 122 N -4.79 0.56 0.00 1.57 1.02 -1.26 -5.06 119.74 111.77 3a44 s LYS 122 Ca -0.13 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.20 3a44 s LYS 122 Cb 0.10 -0.39 0.00 0.00 -0.52 0.00 0.00 37.83 37.01 3a44 s LYS 122 CO 0.81 0.08 0.00 0.41 -0.92 0.00 0.00 175.35 175.73 3a44 n GLY 123 N 1.76 -1.47 0.27 -3.33 0.00 -1.26 -5.01 105.19 96.14 3a44 n GLY 123 Ca -0.20 0.58 -0.02 0.00 0.00 0.00 0.00 46.02 46.37 3a44 n GLY 123 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3a44 h ARG 124 N 0.00 0.76 -3.71 1.61 -0.00 -1.97 -3.45 114.38 107.62 3a44 h ARG 124 Ca 0.00 -0.05 -0.53 0.00 -0.00 0.00 0.00 59.98 59.40 3a44 h ARG 124 Cb 0.00 -0.17 0.01 0.00 -0.00 0.00 0.00 29.97 29.81 3a44 h ARG 124 CO 0.00 0.50 0.32 0.41 -0.00 0.00 0.00 179.97 181.21 3a44 n GLY 125 N -1.29 0.04 3.36 0.08 0.00 -1.26 -4.96 105.19 101.16 3a44 n GLY 125 Ca 0.08 0.58 -0.32 0.00 0.00 0.00 0.00 46.02 46.36 3a44 n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a44 s VAL 126 N 1.36 2.72 0.16 1.61 1.01 -1.26 -5.13 120.40 120.88 3a44 s VAL 126 Ca 0.63 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 3a44 s VAL 126 Cb -0.89 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 33.45 3a44 s VAL 126 CO 0.47 0.56 0.48 -0.72 0.00 0.00 0.00 175.10 175.88 3a44 s TYR 127 N -0.07 -0.19 -0.63 5.22 -0.85 -1.26 -5.11 117.35 114.47 3a44 s TYR 127 Ca -0.04 -0.13 -0.10 0.00 -0.52 0.00 0.00 57.07 56.28 3a44 s TYR 127 Cb -0.14 0.35 0.16 0.00 0.38 0.00 0.00 41.96 42.71 3a44 s TYR 127 CO 0.04 -0.82 0.52 0.08 -1.52 0.00 0.00 175.55 173.85 3a44 s VAL 128 N -3.83 4.67 0.12 -3.49 1.01 -1.26 -4.94 120.40 112.68 3a44 s VAL 128 Ca 0.06 -2.22 0.07 0.00 0.00 0.00 0.00 61.98 59.88 3a44 s VAL 128 Cb 0.00 -3.99 -0.21 0.00 0.00 0.00 0.00 36.38 32.18 3a44 s VAL 128 CO -0.07 -0.89 1.27 0.00 0.00 0.00 0.00 175.10 175.41 3a44 h ALA 129 N 7.99 0.34 -3.24 5.51 0.00 -2.05 -3.46 119.26 124.34 3a44 h ALA 129 Ca -0.08 -0.91 -0.30 0.00 0.00 0.00 0.00 54.91 53.62 3a44 h ALA 129 Cb 1.04 -0.15 -0.22 0.00 0.00 0.00 0.00 17.79 18.46 3a44 h ALA 129 CO 0.82 1.24 -0.74 0.20 0.00 0.00 0.00 179.25 180.77 3a44 s GLY 130 N -4.71 0.56 -0.18 0.00 0.00 -1.26 -5.12 107.32 96.61 3a44 s GLY 130 Ca 0.01 -0.78 -0.06 0.00 0.00 0.00 0.00 44.72 43.88 3a44 s GLY 130 CO 0.82 -0.83 0.38 -0.42 0.00 0.00 0.00 173.10 173.06 3a44 s ILE 131 N -1.31 -0.59 -0.08 0.90 1.01 -1.26 -5.15 121.20 114.73 3a44 s ILE 131 Ca -0.08 0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.71 3a44 s ILE 131 Cb -0.10 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 3a44 s ILE 131 CO 0.01 0.08 0.15 -0.75 0.00 0.00 0.00 174.94 174.43 3a44 s LYS 132 N 2.55 3.41 0.28 2.79 2.20 -1.26 -5.09 119.74 124.62 3a44 s LYS 132 Ca -0.01 -0.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.39 3a44 s LYS 132 Cb -0.12 -3.13 -0.03 0.00 -1.51 0.00 0.00 37.83 33.04 3a44 s LYS 132 CO -0.12 0.74 0.27 0.96 -0.36 0.00 0.00 175.35 176.83 3a44 s ILE 133 N -1.14 0.00 -0.02 5.43 -4.36 -1.26 -5.16 121.20 114.69 3a44 s ILE 133 Ca 0.20 -1.90 0.03 0.00 -0.26 0.00 0.00 60.65 58.71 3a44 s ILE 133 Cb -0.12 -2.50 -0.00 0.00 1.25 0.00 0.00 42.46 41.08 3a44 s ILE 133 CO 0.10 0.00 -0.10 -1.61 0.24 0.00 0.00 174.94 173.57 3a44 s GLU 134 N -3.69 0.95 0.19 0.37 2.02 -1.26 -5.15 118.70 112.13 3a44 s GLU 134 Ca 0.37 -0.35 -0.14 0.00 0.02 0.00 0.00 54.97 54.88 3a44 s GLU 134 Cb 0.03 -0.89 0.01 0.00 0.10 0.00 0.00 34.13 33.38 3a44 s GLU 134 CO 0.20 0.16 0.44 -1.59 0.02 0.00 0.00 175.26 174.49 3a44 s LYS 135 N 0.00 1.31 -0.06 1.61 -2.85 -1.26 -5.15 119.74 113.34 3a44 s LYS 135 Ca -0.00 -0.99 0.02 0.00 -1.00 0.00 0.00 55.97 53.99 3a44 s LYS 135 Cb -0.07 0.47 0.02 0.00 -2.06 0.00 0.00 37.83 36.19 3a44 s LYS 135 CO 0.00 -0.53 -0.09 -1.21 0.10 0.00 0.00 175.35 173.62 3a44 s GLU 136 N -3.91 1.33 0.00 1.78 8.01 -1.26 -5.38 118.70 119.27 3a44 s GLU 136 Ca 0.12 -0.28 0.14 0.00 0.01 0.00 0.00 54.97 54.96 3a44 s GLU 136 Cb 0.01 -1.17 0.11 0.00 -4.31 0.00 0.00 34.13 28.77 3a44 s GLU 136 CO -0.01 -0.02 0.95 0.41 0.01 0.00 0.00 175.26 176.59