#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh3 s ARG 3 N 0.00 2.92 0.00 0.00 1.70 -1.26 -4.29 118.95 118.02 2wh3 s ARG 3 Ca 0.00 -0.33 0.00 0.00 -0.47 0.00 0.00 55.73 54.93 2wh3 s ARG 3 Cb 0.00 -2.43 0.00 0.00 -0.57 0.00 0.00 34.95 31.95 2wh3 s ARG 3 CO 0.00 -0.52 0.00 -0.89 -1.08 0.00 0.00 175.30 172.81 2wh3 n ILE 4 N -2.33 0.00 -1.99 4.99 5.41 -1.21 -5.00 119.36 119.23 2wh3 n ILE 4 Ca 0.04 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.47 2wh3 n ILE 4 Cb 0.58 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.52 2wh3 n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wh3 s ALA 5 N -1.38 2.85 0.00 -1.39 0.00 -1.26 -4.85 121.76 115.73 2wh3 s ALA 5 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2wh3 s ALA 5 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2wh3 s ALA 5 CO 0.00 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.41 2wh3 n GLY 6 N -1.59 0.00 0.56 0.00 0.00 -1.26 -1.49 105.19 101.41 2wh3 n GLY 6 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 2wh3 n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wh3 n VAL 7 N 0.00 0.28 -2.74 1.61 0.31 -1.26 -5.09 118.33 111.44 2wh3 n VAL 7 Ca 0.00 -0.45 -0.33 0.00 -0.01 0.00 0.00 64.34 63.54 2wh3 n VAL 7 Cb 0.00 0.45 -0.06 0.00 -0.91 0.00 0.00 33.84 33.32 2wh3 n VAL 7 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2wh3 s GLU 8 N -0.42 4.10 -0.29 5.55 8.01 -0.56 -4.98 118.70 130.11 2wh3 s GLU 8 Ca 0.08 1.20 0.04 0.00 0.01 0.00 0.00 54.97 56.31 2wh3 s GLU 8 Cb 0.08 -2.16 0.18 0.00 -4.31 0.00 0.00 34.13 27.92 2wh3 s GLU 8 CO -0.02 -0.15 0.51 0.42 0.01 0.00 0.00 175.26 176.04 2wh3 s ILE 9 N -2.11 -0.83 0.02 -1.63 1.09 -1.26 -3.34 121.20 113.13 2wh3 s ILE 9 Ca 0.63 -0.14 -0.16 0.00 -1.10 0.00 0.00 60.65 59.88 2wh3 s ILE 9 Cb -0.11 -0.97 -0.06 0.00 -1.06 0.00 0.00 42.46 40.26 2wh3 s ILE 9 CO 0.15 -0.13 0.45 -2.16 -0.10 0.00 0.00 174.94 173.16 2wh3 s PRO 10 N 2.66 4.00 0.15 2.79 0.04 -1.26 -4.95 135.00 138.43 2wh3 s PRO 10 Ca 0.10 0.50 -0.05 0.00 0.04 0.00 0.00 61.00 61.59 2wh3 s PRO 10 Cb -0.11 -3.23 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 2wh3 s PRO 10 CO -0.27 0.67 0.17 1.03 0.04 0.00 0.00 177.00 178.64 2wh3 s ARG 11 N -1.07 1.05 0.00 4.56 0.52 -1.26 -4.23 118.95 118.51 2wh3 s ARG 11 Ca 0.25 -1.32 0.00 0.00 -0.52 0.00 0.00 55.73 54.15 2wh3 s ARG 11 Cb -0.17 0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.60 2wh3 s ARG 11 CO 0.15 -0.34 0.00 0.09 0.02 0.00 0.00 175.30 175.22 2wh3 n ASN 12 N -0.16 -4.92 -1.22 0.23 3.02 -1.26 -4.92 115.26 106.02 2wh3 n ASN 12 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 2wh3 n ASN 12 Cb 0.63 -3.27 0.00 0.00 -0.61 0.00 0.00 39.78 36.53 2wh3 n ASN 12 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2wh3 n LYS 13 N 0.51 2.75 -3.09 3.52 5.02 -1.26 -4.88 118.16 120.74 2wh3 n LYS 13 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 2wh3 n LYS 13 Cb 0.41 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.37 2wh3 n LYS 13 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wh3 s ARG 14 N -0.81 4.41 0.39 1.97 0.52 -1.26 -1.02 118.95 123.15 2wh3 s ARG 14 Ca 0.00 0.87 0.16 0.00 -0.52 0.00 0.00 55.73 56.23 2wh3 s ARG 14 Cb 0.00 -3.40 1.02 0.00 0.52 0.00 0.00 34.95 33.10 2wh3 s ARG 14 CO 0.00 0.21 1.80 -0.39 0.02 0.00 0.00 175.30 176.94 2wh3 h VAL 15 N 4.42 0.62 -0.88 3.52 -1.51 -1.47 -1.31 116.25 119.64 2wh3 h VAL 15 Ca -0.43 -0.16 -0.02 0.00 -1.23 0.00 0.00 66.70 64.86 2wh3 h VAL 15 Cb 1.20 0.10 -0.04 0.00 -2.13 0.00 0.00 31.29 30.42 2wh3 h VAL 15 CO 0.73 0.09 0.47 -2.24 -1.23 0.00 0.00 177.57 175.38 2wh3 h ASP 16 N 0.48 1.10 0.84 4.19 -0.00 -1.87 -2.65 116.42 118.51 2wh3 h ASP 16 Ca 0.55 -0.11 0.00 0.00 -0.00 0.00 0.00 57.03 57.47 2wh3 h ASP 16 Cb 1.26 -0.28 0.00 0.00 -0.00 0.00 0.00 39.33 40.31 2wh3 h ASP 16 CO -0.27 0.89 -1.06 0.52 -0.00 0.00 0.00 179.24 179.32 2wh3 n VAL 17 N -4.34 0.50 -0.14 4.15 0.31 -0.93 -4.07 118.33 113.81 2wh3 n VAL 17 Ca 0.09 -0.49 -0.11 0.00 -0.01 0.00 0.00 64.34 63.82 2wh3 n VAL 17 Cb 0.10 -0.24 -0.01 0.00 -0.91 0.00 0.00 33.84 32.78 2wh3 n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wh3 h ALA 18 N 2.09 0.57 -0.77 3.52 0.00 -1.05 -2.69 119.26 120.93 2wh3 h ALA 18 Ca 0.00 -0.32 0.20 0.00 0.00 0.00 0.00 54.91 54.79 2wh3 h ALA 18 Cb 0.95 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2wh3 h ALA 18 CO 0.00 0.44 0.54 -0.07 0.00 0.00 0.00 179.25 180.16 2wh3 h LEU 19 N 0.62 0.14 -0.95 0.00 -0.00 -1.62 0.79 115.31 114.29 2wh3 h LEU 19 Ca 0.10 0.01 0.25 0.00 -0.00 0.00 0.00 57.88 58.24 2wh3 h LEU 19 Cb 0.63 -0.01 -0.13 0.00 -0.00 0.00 0.00 40.66 41.14 2wh3 h LEU 19 CO 0.04 0.06 0.49 0.74 -0.00 0.00 0.00 178.44 179.77 2wh3 h THR 20 N 0.14 0.46 0.00 0.22 2.02 -1.67 -2.66 112.91 111.43 2wh3 h THR 20 Ca 0.38 -0.15 -0.15 0.00 0.77 0.00 0.00 66.41 67.26 2wh3 h THR 20 Cb 1.27 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2wh3 h THR 20 CO -0.06 0.08 1.17 -1.22 0.37 0.00 0.00 175.52 175.86 2wh3 n TYR 21 N -5.00 0.43 -3.69 3.16 0.53 0.27 -4.60 117.16 108.27 2wh3 n TYR 21 Ca 0.25 -0.96 -0.11 0.00 -1.02 0.00 0.00 57.90 56.06 2wh3 n TYR 21 Cb 0.74 -1.02 -0.09 0.00 -1.03 0.00 0.00 39.34 37.93 2wh3 n TYR 21 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 2wh3 s ILE 22 N 3.32 -0.01 -0.16 -0.72 1.01 -1.00 -4.76 121.20 118.88 2wh3 s ILE 22 Ca 0.22 0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 2wh3 s ILE 22 Cb 0.08 -0.73 -0.02 0.00 0.01 0.00 0.00 42.46 41.80 2wh3 s ILE 22 CO -0.01 0.01 1.40 -0.47 0.00 0.00 0.00 174.94 175.87 2wh3 s TYR 23 N 0.90 2.55 0.00 3.97 6.04 -1.26 -1.87 117.35 127.67 2wh3 s TYR 23 Ca -0.05 0.75 0.00 0.00 0.04 0.00 0.00 57.07 57.81 2wh3 s TYR 23 Cb -0.06 -3.70 0.00 0.00 -1.04 0.00 0.00 41.96 37.16 2wh3 s TYR 23 CO -0.08 -2.33 0.00 0.41 -1.54 0.00 0.00 175.55 172.02 2wh3 n GLY 24 N 3.94 0.78 3.16 8.97 0.00 -1.26 -0.98 105.19 119.79 2wh3 n GLY 24 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2wh3 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wh3 s ILE 25 N -2.04 2.23 0.47 -0.61 1.09 -0.78 -4.95 121.20 116.61 2wh3 s ILE 25 Ca 0.00 -0.89 0.02 0.00 -1.10 0.00 0.00 60.65 58.68 2wh3 s ILE 25 Cb 0.00 -1.94 -0.02 0.00 -1.06 0.00 0.00 42.46 39.44 2wh3 s ILE 25 CO 0.00 0.53 0.05 -0.83 -0.10 0.00 0.00 174.94 174.59 2wh3 s GLY 26 N 1.21 2.84 0.36 6.18 0.00 -1.26 -4.33 107.32 112.32 2wh3 s GLY 26 Ca 0.03 -0.79 0.12 0.00 0.00 0.00 0.00 44.72 44.07 2wh3 s GLY 26 CO -0.10 -2.05 1.80 1.70 0.00 0.00 0.00 173.10 174.45 2wh3 h LYS 27 N 1.54 0.56 0.11 2.90 1.63 -1.94 0.31 116.57 121.68 2wh3 h LYS 27 Ca -0.40 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.36 2wh3 h LYS 27 Cb 1.30 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 2wh3 h LYS 27 CO 0.67 0.37 -0.05 0.00 -3.45 0.00 0.00 179.45 176.99 2wh3 h ALA 28 N 1.63 -1.02 0.00 5.00 0.00 -1.98 -2.19 119.26 120.70 2wh3 h ALA 28 Ca 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2wh3 h ALA 28 Cb 1.13 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2wh3 h ALA 28 CO -0.31 -1.01 0.00 0.54 0.00 0.00 0.00 179.25 178.47 2wh3 n ARG 29 N -2.38 0.05 0.00 0.00 1.74 -0.86 -2.67 116.66 112.54 2wh3 n ARG 29 Ca -0.02 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2wh3 n ARG 29 Cb 0.06 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 2wh3 n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wh3 n ALA 30 N -1.04 0.00 0.11 7.54 0.00 0.11 -3.40 120.51 123.82 2wh3 n ALA 30 Ca 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.46 2wh3 n ALA 30 Cb 0.01 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 2wh3 n ALA 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wh3 n LYS 31 N -1.39 0.04 -0.05 0.00 5.02 -1.00 -1.44 118.16 119.33 2wh3 n LYS 31 Ca 0.00 0.18 -0.13 0.00 -2.02 0.00 0.00 58.31 56.34 2wh3 n LYS 31 Cb 0.00 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.39 2wh3 n LYS 31 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2wh3 h GLU 32 N 0.00 -0.01 -0.02 1.97 4.22 -1.63 -3.27 114.58 115.85 2wh3 h GLU 32 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2wh3 h GLU 32 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2wh3 h GLU 32 CO 0.00 0.81 0.00 0.00 -2.18 0.00 0.00 179.01 177.64 2wh3 n ALA 33 N -2.56 2.63 0.22 2.92 0.00 -0.52 -3.15 120.51 120.05 2wh3 n ALA 33 Ca -0.09 -0.21 0.11 0.00 0.00 0.00 0.00 53.44 53.25 2wh3 n ALA 33 Cb 0.40 -1.36 0.01 0.00 0.00 0.00 0.00 19.45 18.50 2wh3 n ALA 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wh3 n LEU 34 N -0.70 0.71 -0.02 0.00 4.77 -1.08 -3.00 117.00 117.69 2wh3 n LEU 34 Ca 0.19 0.23 -0.22 0.00 -0.03 0.00 0.00 56.01 56.18 2wh3 n LEU 34 Cb 0.13 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.01 2wh3 n LEU 34 CO 0.14 -0.12 -0.64 1.05 -1.33 0.00 0.00 177.39 176.50 2wh3 h GLU 35 N 0.00 0.21 -0.18 3.23 4.11 -1.62 -1.77 114.58 118.55 2wh3 h GLU 35 Ca 0.00 -0.35 -0.13 0.00 0.07 0.00 0.00 59.36 58.95 2wh3 h GLU 35 Cb 0.93 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2wh3 h GLU 35 CO 0.00 1.17 -0.44 0.87 0.07 0.00 0.00 179.01 180.68 2wh3 h LYS 36 N -0.27 0.43 0.00 1.06 1.79 -1.72 -2.37 116.57 115.49 2wh3 h LYS 36 Ca -0.38 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 57.87 2wh3 h LYS 36 Cb 1.80 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.46 2wh3 h LYS 36 CO 0.02 0.79 -0.32 0.25 -1.08 0.00 0.00 179.45 179.11 2wh3 n THR 37 N -4.01 0.04 -3.47 -0.16 -2.24 -1.16 -4.97 114.28 98.32 2wh3 n THR 37 Ca -0.02 -0.03 -0.19 0.00 -2.27 0.00 0.00 64.05 61.54 2wh3 n THR 37 Cb 0.52 -0.07 0.09 0.00 -2.10 0.00 0.00 70.33 68.77 2wh3 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wh3 n GLY 38 N 1.48 -0.41 3.23 3.38 0.00 -0.89 -4.87 105.19 107.11 2wh3 n GLY 38 Ca 0.06 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2wh3 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wh3 s ILE 39 N -3.34 1.78 0.24 -0.61 1.01 -0.68 -5.03 121.20 114.57 2wh3 s ILE 39 Ca 0.18 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 59.59 2wh3 s ILE 39 Cb -0.08 -1.50 -0.09 0.00 0.01 0.00 0.00 42.46 40.80 2wh3 s ILE 39 CO 0.72 0.50 1.13 0.21 0.00 0.00 0.00 174.94 177.51 2wh3 s ASN 40 N -0.30 7.20 0.07 3.58 2.47 -1.26 -4.70 114.94 121.99 2wh3 s ASN 40 Ca 0.02 2.24 -0.36 0.00 0.42 0.00 0.00 52.86 55.18 2wh3 s ASN 40 Cb -0.11 -2.62 -0.19 0.00 -1.45 0.00 0.00 41.25 36.89 2wh3 s ASN 40 CO 0.01 -0.24 1.57 -0.65 -3.72 0.00 0.00 177.10 174.08 2wh3 h PRO 41 N 4.44 -1.11 -0.98 0.43 0.11 -1.98 -3.27 132.00 129.65 2wh3 h PRO 41 Ca -0.46 0.08 0.33 0.00 0.11 0.00 0.00 66.00 66.06 2wh3 h PRO 41 Cb 1.21 0.25 -0.16 0.00 0.11 0.00 0.00 31.00 32.41 2wh3 h PRO 41 CO 0.70 -0.74 0.43 0.00 -0.21 0.00 0.00 178.00 178.18 2wh3 h ALA 42 N -1.04 1.79 -2.22 -0.75 0.00 -1.95 -3.14 119.26 111.94 2wh3 h ALA 42 Ca -0.10 0.24 -0.59 0.00 0.00 0.00 0.00 54.91 54.46 2wh3 h ALA 42 Cb 0.93 0.29 0.05 0.00 0.00 0.00 0.00 17.79 19.07 2wh3 h ALA 42 CO 0.08 -0.67 0.80 0.25 0.00 0.00 0.00 179.25 179.71 2wh3 n THR 43 N -5.20 0.04 -1.89 0.00 -2.24 -1.24 -4.66 114.28 99.09 2wh3 n THR 43 Ca 0.31 -0.01 -0.37 0.00 -2.27 0.00 0.00 64.05 61.71 2wh3 n THR 43 Cb 0.99 -1.52 0.04 0.00 -2.10 0.00 0.00 70.33 67.74 2wh3 n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wh3 s ARG 44 N 1.11 2.98 0.05 -0.78 1.81 -1.26 -2.81 118.95 120.04 2wh3 s ARG 44 Ca 0.80 2.02 0.20 0.00 -1.72 0.00 0.00 55.73 57.03 2wh3 s ARG 44 Cb -0.70 -2.05 0.85 0.00 -0.45 0.00 0.00 34.95 32.60 2wh3 s ARG 44 CO 0.39 -1.25 1.64 0.28 -0.68 0.00 0.00 175.30 175.69 2wh3 n VAL 45 N -1.40 0.68 0.23 3.52 0.31 -0.19 -2.67 118.33 118.81 2wh3 n VAL 45 Ca 0.13 0.14 0.12 0.00 -0.01 0.00 0.00 64.34 64.72 2wh3 n VAL 45 Cb 0.48 -0.86 0.39 0.00 -0.91 0.00 0.00 33.84 32.94 2wh3 n VAL 45 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2wh3 h LYS 46 N 0.00 0.00 -1.99 5.55 2.10 -1.90 -3.41 116.57 116.92 2wh3 h LYS 46 Ca 0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.29 2wh3 h LYS 46 Cb 0.37 0.00 -0.31 0.00 -0.90 0.00 0.00 32.23 31.38 2wh3 h LYS 46 CO 0.00 0.14 -0.68 0.16 -2.00 0.00 0.00 179.45 177.07 2wh3 s ASP 47 N -6.09 1.26 -0.17 7.07 1.47 -1.09 -5.03 116.67 114.09 2wh3 s ASP 47 Ca 0.03 -1.42 -0.08 0.00 1.18 0.00 0.00 52.55 52.26 2wh3 s ASP 47 Cb 0.08 0.55 0.07 0.00 -0.34 0.00 0.00 42.92 43.28 2wh3 s ASP 47 CO 0.63 -0.28 0.40 -1.48 0.68 0.00 0.00 175.17 175.12 2wh3 s LEU 48 N 1.61 -0.28 0.00 2.11 2.34 -1.26 -4.73 118.68 118.47 2wh3 s LEU 48 Ca 0.15 0.89 0.00 0.00 0.06 0.00 0.00 54.13 55.24 2wh3 s LEU 48 Cb -0.15 1.28 0.00 0.00 -0.56 0.00 0.00 46.19 46.76 2wh3 s LEU 48 CO -0.09 -0.21 0.00 0.41 -1.06 0.00 0.00 176.35 175.40 2wh3 n THR 49 N 4.74 0.00 -0.24 5.48 -1.04 -1.26 -4.49 114.28 117.46 2wh3 n THR 49 Ca -0.17 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.02 2wh3 n THR 49 Cb 0.53 0.00 0.50 0.00 -1.82 0.00 0.00 70.33 69.53 2wh3 n THR 49 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2wh3 h GLU 50 N 0.00 0.43 0.10 -2.82 4.39 -2.00 -0.00 114.58 114.67 2wh3 h GLU 50 Ca 0.00 -0.03 -0.22 0.00 0.34 0.00 0.00 59.36 59.45 2wh3 h GLU 50 Cb 0.00 -0.10 0.02 0.00 -0.10 0.00 0.00 28.75 28.58 2wh3 h GLU 50 CO 0.00 0.28 -0.92 0.00 -1.16 0.00 0.00 179.01 177.21 2wh3 h ALA 51 N 1.61 -0.02 -1.09 3.43 0.00 -1.99 -2.48 119.26 118.72 2wh3 h ALA 51 Ca 0.47 -0.69 0.30 0.00 0.00 0.00 0.00 54.91 54.98 2wh3 h ALA 51 Cb 1.11 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 2wh3 h ALA 51 CO -0.18 0.48 0.73 0.93 0.00 0.00 0.00 179.25 181.21 2wh3 h GLU 52 N -0.06 0.24 0.00 0.00 5.08 -1.30 1.01 114.58 119.55 2wh3 h GLU 52 Ca -0.14 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2wh3 h GLU 52 Cb 1.66 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.86 2wh3 h GLU 52 CO 0.18 0.16 -0.00 0.28 -1.00 0.00 0.00 179.01 178.63 2wh3 h VAL 53 N 0.25 1.66 -0.08 3.13 2.07 -1.37 -1.80 116.25 120.11 2wh3 h VAL 53 Ca 0.59 -2.17 0.04 0.00 0.82 0.00 0.00 66.70 65.98 2wh3 h VAL 53 Cb 1.79 3.10 -0.06 0.00 -1.52 0.00 0.00 31.29 34.60 2wh3 h VAL 53 CO -0.21 0.55 -0.36 0.58 0.02 0.00 0.00 177.57 178.15 2wh3 h VAL 54 N -0.96 0.24 -0.72 2.57 2.07 -0.52 0.93 116.25 119.85 2wh3 h VAL 54 Ca -0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 2wh3 h VAL 54 Cb 0.90 0.24 -0.13 0.00 -1.52 0.00 0.00 31.29 30.78 2wh3 h VAL 54 CO 0.00 0.00 -0.08 -0.09 0.02 0.00 0.00 177.57 177.42 2wh3 h ARG 55 N -0.47 0.05 -0.51 1.57 2.43 0.86 0.18 114.38 118.49 2wh3 h ARG 55 Ca 0.08 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2wh3 h ARG 55 Cb 0.59 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 2wh3 h ARG 55 CO -0.34 0.03 0.33 1.25 -1.51 0.00 0.00 179.97 179.74 2wh3 h LEU 56 N 0.05 0.60 -0.28 3.80 7.12 -0.28 -2.83 115.31 123.50 2wh3 h LEU 56 Ca 0.37 -0.04 -0.01 0.00 0.13 0.00 0.00 57.88 58.33 2wh3 h LEU 56 Cb 0.62 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.58 2wh3 h LEU 56 CO -0.68 0.46 0.12 -0.09 -0.13 0.00 0.00 178.44 178.12 2wh3 h ARG 57 N 0.69 0.41 -0.21 1.25 2.43 0.11 -2.84 114.38 116.22 2wh3 h ARG 57 Ca 0.19 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2wh3 h ARG 57 Cb -0.05 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.39 2wh3 h ARG 57 CO -0.04 0.42 -0.33 0.93 -1.51 0.00 0.00 179.97 179.44 2wh3 h GLU 58 N 0.30 -0.25 0.00 0.20 4.39 -0.50 0.22 114.58 118.94 2wh3 h GLU 58 Ca 0.09 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2wh3 h GLU 58 Cb 0.16 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2wh3 h GLU 58 CO -0.01 -0.16 0.00 0.98 -1.16 0.00 0.00 179.01 178.66 2wh3 n TYR 59 N -4.28 0.00 -0.02 4.33 9.36 -1.14 -2.85 117.16 122.57 2wh3 n TYR 59 Ca -0.02 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.19 2wh3 n TYR 59 Cb 0.21 -0.42 -0.01 0.00 -0.63 0.00 0.00 39.34 38.49 2wh3 n TYR 59 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2wh3 n VAL 60 N -1.99 -0.04 -0.43 2.97 0.31 -1.07 0.78 118.33 118.86 2wh3 n VAL 60 Ca 0.00 1.41 0.40 0.00 -0.01 0.00 0.00 64.34 66.15 2wh3 n VAL 60 Cb 0.00 -1.87 0.77 0.00 -0.91 0.00 0.00 33.84 31.83 2wh3 n VAL 60 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2wh3 h GLU 61 N 0.00 0.00 0.00 5.55 4.81 -0.65 -2.81 114.58 121.47 2wh3 h GLU 61 Ca 0.01 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.94 2wh3 h GLU 61 Cb 0.02 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 2wh3 h GLU 61 CO -0.05 0.00 -2.12 0.09 -0.73 0.00 0.00 179.01 176.19 2wh3 n ASN 62 N -4.09 2.44 -0.32 1.04 4.13 -0.45 -4.73 115.26 113.27 2wh3 n ASN 62 Ca 0.31 -0.10 -0.08 0.00 1.68 0.00 0.00 54.58 56.38 2wh3 n ASN 62 Cb 1.47 -0.28 -0.08 0.00 -1.54 0.00 0.00 39.78 39.35 2wh3 n ASN 62 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2wh3 n THR 63 N -3.07 -0.52 -2.79 3.41 -1.04 0.23 -4.81 114.28 105.70 2wh3 n THR 63 Ca -0.35 2.10 0.00 0.00 -2.04 0.00 0.00 64.05 63.76 2wh3 n THR 63 Cb 0.88 -2.62 0.00 0.00 -1.82 0.00 0.00 70.33 66.77 2wh3 n THR 63 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 2wh3 n TRP 64 N -4.76 0.00 -4.00 -1.42 2.14 -1.25 -5.10 117.44 103.06 2wh3 n TRP 64 Ca 0.02 0.00 -0.30 0.00 2.07 0.00 0.00 57.50 59.29 2wh3 n TRP 64 Cb 0.20 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 30.65 2wh3 n TRP 64 CO 0.00 0.00 0.00 0.21 2.07 0.00 0.00 177.69 179.97 2wh3 s LYS 65 N 1.21 3.12 0.00 -2.67 2.47 -1.26 -4.91 119.74 117.70 2wh3 s LYS 65 Ca 0.00 -0.62 0.00 0.00 -1.56 0.00 0.00 55.97 53.79 2wh3 s LYS 65 Cb 0.00 -2.84 0.00 0.00 -1.46 0.00 0.00 37.83 33.53 2wh3 s LYS 65 CO 0.00 0.57 0.00 1.28 0.16 0.00 0.00 175.35 177.36 2wh3 n LEU 66 N 0.24 0.00 -1.18 5.43 4.32 -1.26 -4.80 117.00 119.75 2wh3 n LEU 66 Ca -0.07 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.75 2wh3 n LEU 66 Cb 0.52 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.29 2wh3 n LEU 66 CO 0.47 0.00 0.32 1.21 -1.22 0.00 0.00 177.39 178.17 2wh3 n GLU 67 N 0.00 0.00 0.00 3.23 4.07 -0.15 0.33 120.64 128.11 2wh3 n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2wh3 n GLU 67 Cb 0.00 -0.38 0.00 0.00 -0.06 0.00 0.00 31.44 31.00 2wh3 n GLU 67 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wh3 n GLY 68 N 1.19 0.02 0.28 8.31 0.00 -1.26 -4.23 105.19 109.51 2wh3 n GLY 68 Ca 0.09 -0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.14 2wh3 n GLY 68 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wh3 h GLU 69 N 0.00 0.60 0.00 1.61 4.22 -1.92 1.96 114.58 121.06 2wh3 h GLU 69 Ca 0.00 -0.04 -0.22 0.00 0.08 0.00 0.00 59.36 59.18 2wh3 h GLU 69 Cb 0.00 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 2wh3 h GLU 69 CO 0.00 0.40 -0.93 1.25 -2.18 0.00 0.00 179.01 177.55 2wh3 h LEU 70 N 0.62 0.47 -1.60 1.64 6.46 -0.30 -2.96 115.31 119.64 2wh3 h LEU 70 Ca 0.37 -0.38 -0.04 0.00 -0.12 0.00 0.00 57.88 57.71 2wh3 h LEU 70 Cb 0.42 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 2wh3 h LEU 70 CO -0.29 1.18 -0.21 -0.09 -0.62 0.00 0.00 178.44 178.41 2wh3 h ARG 71 N 0.20 0.00 -0.07 1.25 2.43 -1.02 -1.17 114.38 116.00 2wh3 h ARG 71 Ca -0.07 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.95 2wh3 h ARG 71 Cb 1.56 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.10 2wh3 h ARG 71 CO 0.16 0.21 -0.60 0.00 -1.51 0.00 0.00 179.97 178.23 2wh3 h ALA 72 N 1.79 0.86 0.07 2.80 0.00 0.31 -2.45 119.26 122.65 2wh3 h ALA 72 Ca -0.00 -0.54 -0.28 0.00 0.00 0.00 0.00 54.91 54.09 2wh3 h ALA 72 Cb 0.47 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.19 2wh3 h ALA 72 CO 0.03 0.73 -1.16 1.49 0.00 0.00 0.00 179.25 180.34 2wh3 h GLU 73 N 0.17 0.61 0.79 0.00 4.81 -1.19 -2.14 114.58 117.64 2wh3 h GLU 73 Ca -0.01 -0.75 -0.04 0.00 -0.13 0.00 0.00 59.36 58.43 2wh3 h GLU 73 Cb 1.10 0.24 0.01 0.00 0.63 0.00 0.00 28.75 30.72 2wh3 h GLU 73 CO 0.09 1.33 -0.38 0.28 -0.73 0.00 0.00 179.01 179.60 2wh3 h VAL 74 N 0.30 0.00 -0.87 0.32 2.07 -1.21 -0.64 116.25 116.22 2wh3 h VAL 74 Ca -0.16 -0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.52 2wh3 h VAL 74 Cb 1.82 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 2wh3 h VAL 74 CO 0.22 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.38 2wh3 h ALA 75 N -1.51 1.95 -0.37 1.67 0.00 -1.57 -0.73 119.26 118.70 2wh3 h ALA 75 Ca -0.11 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2wh3 h ALA 75 Cb 0.82 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 2wh3 h ALA 75 CO 0.18 -0.20 0.10 0.00 0.00 0.00 0.00 179.25 179.33 2wh3 h ALA 76 N 1.61 0.41 -0.49 0.00 0.00 -0.84 -1.79 119.26 118.16 2wh3 h ALA 76 Ca 0.45 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.48 2wh3 h ALA 76 Cb 0.84 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 2wh3 h ALA 76 CO -0.19 -0.30 0.20 -0.91 0.00 0.00 0.00 179.25 178.04 2wh3 h ASN 77 N 0.23 0.23 -0.36 0.00 2.35 0.42 -0.01 115.58 118.45 2wh3 h ASN 77 Ca 0.17 0.05 0.05 0.00 -0.55 0.00 0.00 56.30 56.03 2wh3 h ASN 77 Cb 0.18 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 2wh3 h ASN 77 CO -0.21 0.17 0.25 0.40 -1.65 0.00 0.00 177.43 176.38 2wh3 h ILE 78 N 0.39 0.95 0.17 2.81 2.04 -1.16 0.39 117.51 123.10 2wh3 h ILE 78 Ca 0.23 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 2wh3 h ILE 78 Cb 0.22 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2wh3 h ILE 78 CO -0.21 0.05 -0.08 0.11 0.00 0.00 0.00 178.15 178.01 2wh3 h LYS 79 N 0.26 -0.21 -0.82 2.37 1.57 -0.24 -3.04 116.57 116.45 2wh3 h LYS 79 Ca 0.16 0.01 0.20 0.00 -1.87 0.00 0.00 60.65 59.15 2wh3 h LYS 79 Cb 0.30 0.05 -0.13 0.00 0.08 0.00 0.00 32.23 32.54 2wh3 h LYS 79 CO -0.03 0.17 0.22 -0.09 -0.57 0.00 0.00 179.45 179.14 2wh3 h ARG 80 N -0.66 0.25 0.00 3.15 2.43 0.49 0.68 114.38 120.72 2wh3 h ARG 80 Ca -0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2wh3 h ARG 80 Cb 0.48 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2wh3 h ARG 80 CO 0.04 0.16 0.00 1.28 -1.51 0.00 0.00 179.97 179.94 2wh3 n LEU 81 N -5.18 0.00 0.07 3.80 4.77 0.12 -0.67 117.00 119.90 2wh3 n LEU 81 Ca 0.18 0.21 -0.14 0.00 -0.03 0.00 0.00 56.01 56.22 2wh3 n LEU 81 Cb 0.57 -0.21 -0.14 0.00 -2.33 0.00 0.00 43.42 41.32 2wh3 n LEU 81 CO 0.09 -0.20 -0.19 0.00 -1.33 0.00 0.00 177.39 175.76 2wh3 h MET 82 N 0.00 0.19 0.00 3.23 -0.00 0.36 -3.35 114.93 115.36 2wh3 h MET 82 Ca 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 59.70 59.37 2wh3 h MET 82 Cb 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 31.60 31.73 2wh3 h MET 82 CO 0.00 1.07 0.00 -0.40 -0.00 0.00 0.00 176.91 177.58 2wh3 n ASP 83 N -3.42 0.00 0.10 -0.10 3.85 0.15 -0.76 116.55 116.37 2wh3 n ASP 83 Ca -0.11 0.00 0.13 0.00 -0.71 0.00 0.00 54.79 54.10 2wh3 n ASP 83 Cb 1.02 0.00 0.41 0.00 -1.35 0.00 0.00 41.12 41.20 2wh3 n ASP 83 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 2wh3 n ILE 84 N 0.00 0.55 0.00 2.12 2.08 -1.26 -4.94 119.36 117.91 2wh3 n ILE 84 Ca 0.00 -0.27 0.00 0.00 0.56 0.00 0.00 62.75 63.04 2wh3 n ILE 84 Cb 0.00 -0.56 0.00 0.00 -0.75 0.00 0.00 39.64 38.33 2wh3 n ILE 84 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wh3 n GLY 85 N 1.32 0.76 3.77 7.39 0.00 0.06 -5.09 105.19 113.40 2wh3 n GLY 85 Ca 0.06 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 2wh3 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh3 h TYR 87 N 3.28 -0.42 -0.11 0.00 3.20 -1.93 2.74 116.97 123.73 2wh3 h TYR 87 Ca -0.47 0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.49 2wh3 h TYR 87 Cb 1.21 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.80 2wh3 h TYR 87 CO 0.59 -0.37 0.07 -0.09 -1.64 0.00 0.00 178.16 176.72 2wh3 h ARG 88 N 0.00 0.10 -0.32 1.82 2.43 -1.93 -1.43 114.38 115.06 2wh3 h ARG 88 Ca 0.42 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.50 2wh3 h ARG 88 Cb 0.66 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 2wh3 h ARG 88 CO -0.88 0.06 -0.15 0.78 -1.51 0.00 0.00 179.97 178.28 2wh3 h GLY 89 N 0.10 0.72 0.00 2.80 0.00 0.45 -3.42 103.07 103.72 2wh3 h GLY 89 Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.73 2wh3 h GLY 89 CO -0.01 0.59 0.00 1.04 0.00 0.00 0.00 176.54 178.16 2wh3 n LEU 90 N -4.37 0.00 0.00 3.11 4.77 0.39 -3.52 117.00 117.38 2wh3 n LEU 90 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2wh3 n LEU 90 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2wh3 n LEU 90 CO 0.42 -0.02 0.00 0.54 -1.33 0.00 0.00 177.39 177.00 2wh3 n ARG 91 N 0.00 0.00 -0.09 3.23 5.12 -1.25 -3.97 116.66 119.69 2wh3 n ARG 91 Ca 0.00 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.79 2wh3 n ARG 91 Cb 0.00 -2.63 -0.15 0.00 -1.16 0.00 0.00 32.46 28.52 2wh3 n ARG 91 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2wh3 n HIS 92 N -0.71 0.18 -0.01 -1.55 8.25 -1.23 0.83 115.22 120.98 2wh3 n HIS 92 Ca 0.00 0.05 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 2wh3 n HIS 92 Cb 0.00 -1.03 -0.10 0.00 1.12 0.00 0.00 29.99 29.99 2wh3 n HIS 92 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wh3 h ARG 93 N 0.00 -0.01 0.00 -0.41 -0.00 -1.71 -2.80 114.38 109.46 2wh3 h ARG 93 Ca -0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 58.96 2wh3 h ARG 93 Cb 2.11 0.00 0.00 0.00 0.00 0.00 0.00 29.97 32.08 2wh3 h ARG 93 CO 0.00 0.42 0.00 0.54 0.00 0.00 0.00 179.97 180.94 2wh3 n ARG 94 N -4.89 0.46 -1.48 0.04 3.00 -1.26 -4.90 116.66 107.64 2wh3 n ARG 94 Ca -0.08 0.03 -0.14 0.00 -0.01 0.00 0.00 57.85 57.65 2wh3 n ARG 94 Cb 0.22 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.13 2wh3 n ARG 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wh3 n GLY 95 N 0.88 1.30 4.02 -0.13 0.00 -1.04 -4.98 105.19 105.24 2wh3 n GLY 95 Ca 0.14 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 2wh3 n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wh3 s LEU 96 N -3.23 3.16 0.39 0.99 1.43 0.24 -4.59 118.68 117.08 2wh3 s LEU 96 Ca 0.00 -0.60 -0.27 0.00 -1.03 0.00 0.00 54.13 52.23 2wh3 s LEU 96 Cb 0.00 -1.95 -0.09 0.00 0.03 0.00 0.00 46.19 44.17 2wh3 s LEU 96 CO 0.00 -1.38 1.35 -2.84 0.23 0.00 0.00 176.35 173.71 2wh3 s PRO 97 N -4.75 4.02 -0.26 1.29 0.02 -1.26 -4.40 135.00 129.66 2wh3 s PRO 97 Ca 0.62 2.27 0.09 0.00 0.02 0.00 0.00 61.00 64.00 2wh3 s PRO 97 Cb -0.07 -2.84 0.45 0.00 0.02 0.00 0.00 34.50 32.07 2wh3 s PRO 97 CO 0.39 -0.49 1.30 0.28 -0.33 0.00 0.00 177.00 178.16 2wh3 n VAL 98 N 0.26 2.39 -3.09 3.83 0.31 -1.26 -4.72 118.33 116.05 2wh3 n VAL 98 Ca 0.03 -3.26 -0.16 0.00 -0.01 0.00 0.00 64.34 60.93 2wh3 n VAL 98 Cb 0.42 -0.43 -0.01 0.00 -0.91 0.00 0.00 33.84 32.91 2wh3 n VAL 98 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wh3 n ARG 99 N -1.05 1.00 -2.83 5.55 1.74 -1.26 -5.01 116.66 114.79 2wh3 n ARG 99 Ca 0.28 -3.26 0.00 0.00 -0.77 0.00 0.00 57.85 54.10 2wh3 n ARG 99 Cb 0.83 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 2wh3 n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wh3 n GLY 100 N 0.24 0.00 3.14 -0.13 0.00 -1.26 -5.02 105.19 102.16 2wh3 n GLY 100 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 2wh3 n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wh3 s GLN 101 N -0.84 0.53 -0.08 1.61 -0.21 -1.26 -5.12 119.66 114.29 2wh3 s GLN 101 Ca 0.00 -0.35 -0.30 0.00 0.02 0.00 0.00 55.36 54.74 2wh3 s GLN 101 Cb 0.00 0.22 -0.03 0.00 1.00 0.00 0.00 33.01 34.20 2wh3 s GLN 101 CO 0.00 -0.13 1.32 -0.98 -2.12 0.00 0.00 175.29 173.38 2wh3 s ARG 102 N -1.36 4.28 0.24 2.91 1.70 -1.26 -4.88 118.95 120.57 2wh3 s ARG 102 Ca -0.14 1.79 0.23 0.00 -0.47 0.00 0.00 55.73 57.14 2wh3 s ARG 102 Cb -0.07 -3.67 0.06 0.00 -0.57 0.00 0.00 34.95 30.69 2wh3 s ARG 102 CO 0.02 -0.61 1.13 1.79 -1.08 0.00 0.00 175.30 176.56 2wh3 h THR 103 N 5.21 0.00 -0.87 4.99 1.35 -2.00 -3.38 112.91 118.22 2wh3 h THR 103 Ca -0.33 -0.99 0.19 0.00 -0.55 0.00 0.00 66.41 64.74 2wh3 h THR 103 Cb 1.15 1.56 -0.11 0.00 -1.73 0.00 0.00 68.15 69.01 2wh3 h THR 103 CO 0.92 0.00 0.39 -0.09 -0.25 0.00 0.00 175.52 176.49 2wh3 h ARG 104 N 0.00 0.44 0.00 4.72 2.43 -2.02 -3.44 114.38 116.51 2wh3 h ARG 104 Ca 0.00 -0.03 -0.39 0.00 -0.81 0.00 0.00 59.98 58.75 2wh3 h ARG 104 Cb 0.99 -0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.36 2wh3 h ARG 104 CO 0.00 0.29 -0.30 0.25 -1.51 0.00 0.00 179.97 178.70 2wh3 n THR 105 N -5.00 0.00 0.00 0.20 -2.24 -1.26 -5.06 114.28 100.92 2wh3 n THR 105 Ca 0.20 -1.52 0.00 0.00 -2.27 0.00 0.00 64.05 60.45 2wh3 n THR 105 Cb 0.57 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 2wh3 n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wh3 n ASN 106 N -1.41 0.00 -0.71 3.42 3.02 -1.26 -4.74 115.26 113.57 2wh3 n ASN 106 Ca -0.09 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.36 2wh3 n ASN 106 Cb 0.40 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.53 2wh3 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wh3 n ALA 107 N 4.42 -0.14 0.27 5.41 0.00 -1.26 -4.86 120.51 124.34 2wh3 n ALA 107 Ca 0.00 0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.68 2wh3 n ALA 107 Cb 0.00 -1.52 0.69 0.00 0.00 0.00 0.00 19.45 18.62 2wh3 n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh3 h ARG 108 N 0.09 0.00 -0.84 0.00 -0.00 -1.87 -2.93 114.38 108.82 2wh3 h ARG 108 Ca -0.19 0.00 0.17 0.00 -0.50 0.00 0.00 59.98 59.46 2wh3 h ARG 108 Cb 0.98 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 30.89 2wh3 h ARG 108 CO 0.28 0.01 0.55 1.15 0.00 0.00 0.00 179.97 181.96 2wh3 h THR 109 N 0.00 0.75 -0.55 2.04 2.02 -1.95 -0.88 112.91 114.34 2wh3 h THR 109 Ca -0.00 -0.16 -0.29 0.00 0.77 0.00 0.00 66.41 66.73 2wh3 h THR 109 Cb 0.01 0.25 -0.17 0.00 -1.74 0.00 0.00 68.15 66.50 2wh3 h THR 109 CO 0.00 0.08 0.12 0.54 0.37 0.00 0.00 175.52 176.64 2wh3 n ARG 110 N -4.51 1.99 -3.76 6.66 1.74 -1.11 -4.95 116.66 112.73 2wh3 n ARG 110 Ca 0.17 -3.17 -0.13 0.00 -0.77 0.00 0.00 57.85 53.95 2wh3 n ARG 110 Cb 0.59 -1.94 -0.11 0.00 -1.02 0.00 0.00 32.46 29.98 2wh3 n ARG 110 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2wh3 s LYS 111 N -3.29 0.35 0.26 5.56 1.02 -0.34 -4.46 119.74 118.83 2wh3 s LYS 111 Ca 0.49 0.44 -0.30 0.00 0.02 0.00 0.00 55.97 56.62 2wh3 s LYS 111 Cb 0.43 0.15 -0.14 0.00 -0.52 0.00 0.00 37.83 37.75 2wh3 s LYS 111 CO 0.03 -0.05 1.12 0.41 -0.92 0.00 0.00 175.35 175.93 2wh3 n GLY 112 N 3.05 0.00 0.00 -3.33 0.00 -1.26 -4.77 105.19 98.87 2wh3 n GLY 112 Ca -0.14 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2wh3 n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wh3 n PRO 113 N 1.14 0.00 -3.67 1.61 -0.02 -1.26 -4.38 135.00 128.42 2wh3 n PRO 113 Ca 0.11 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.47 2wh3 n PRO 113 Cb 0.30 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.66 2wh3 n PRO 113 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2wh3 s ARG 114 N 0.00 0.21 -1.26 -0.52 0.52 -1.26 -4.89 118.95 111.75 2wh3 s ARG 114 Ca 0.00 0.82 -0.10 0.00 -0.52 0.00 0.00 55.73 55.94 2wh3 s ARG 114 Cb 0.00 0.07 0.18 0.00 0.52 0.00 0.00 34.95 35.72 2wh3 s ARG 114 CO 0.00 -0.26 1.79 1.63 0.02 0.00 0.00 175.30 178.48 2wh3 n LYS 115 N 5.23 3.65 0.00 3.54 4.01 -1.26 -4.94 118.16 128.39 2wh3 n LYS 115 Ca -0.09 -3.65 0.00 0.00 -0.51 0.00 0.00 58.31 54.06 2wh3 n LYS 115 Cb 0.50 -2.91 0.00 0.00 -0.51 0.00 0.00 35.03 32.11 2wh3 n LYS 115 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2wh3 n THR 116 N 3.35 0.00 -0.34 -0.18 -1.04 -1.26 -4.97 114.28 109.84 2wh3 n THR 116 Ca 0.38 0.09 0.04 0.00 -2.04 0.00 0.00 64.05 62.53 2wh3 n THR 116 Cb 0.37 -0.14 -0.02 0.00 -1.82 0.00 0.00 70.33 68.72 2wh3 n THR 116 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2wh3 n VAL 117 N -0.77 -0.15 -5.24 12.58 0.31 -1.26 -4.96 118.33 118.83 2wh3 n VAL 117 Ca 0.00 0.19 -0.31 0.00 -0.01 0.00 0.00 64.34 64.21 2wh3 n VAL 117 Cb 0.00 -0.30 -0.16 0.00 -0.91 0.00 0.00 33.84 32.46 2wh3 n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wh3 s ALA 118 N -2.99 2.13 0.11 3.52 0.00 -1.26 -5.13 121.76 118.14 2wh3 s ALA 118 Ca 0.00 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.95 2wh3 s ALA 118 Cb 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 2wh3 s ALA 118 CO 0.00 0.40 0.06 0.41 0.00 0.00 0.00 175.76 176.63 2wh3 n GLY 119 N 3.00 3.79 3.07 0.00 0.00 -1.26 -5.15 105.19 108.64 2wh3 n GLY 119 Ca -0.18 -1.88 -0.25 0.00 0.00 0.00 0.00 46.02 43.72 2wh3 n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wh3 n LYS 120 N -0.24 -1.46 -2.45 1.61 5.02 -1.26 -5.05 118.16 114.33 2wh3 n LYS 120 Ca -0.00 -0.43 -0.05 0.00 -2.02 0.00 0.00 58.31 55.81 2wh3 n LYS 120 Cb 0.18 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 33.76 2wh3 n LYS 120 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wh3 n LYS 121 N -0.77 1.39 0.00 1.97 5.02 -1.26 -5.31 118.16 119.19 2wh3 n LYS 121 Ca 0.02 -0.63 0.00 0.00 -2.02 0.00 0.00 58.31 55.68 2wh3 n LYS 121 Cb 0.49 0.24 0.00 0.00 -0.02 0.00 0.00 35.03 35.74 2wh3 n LYS 121 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05