#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1d h ASP 2 N 0.00 0.00 -0.44 7.83 5.19 -1.91 -3.42 116.42 123.67 3e1d h ASP 2 Ca 0.00 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 3e1d h ASP 2 Cb 0.00 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.45 3e1d h ASP 2 CO 0.00 0.44 -0.36 0.50 -3.12 0.00 0.00 179.24 176.70 3e1d h LYS 3 N 0.00 -0.12 0.00 3.56 1.63 -2.06 -2.80 116.57 116.78 3e1d h LYS 3 Ca -0.10 0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.61 3e1d h LYS 3 Cb 1.43 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 33.07 3e1d h LYS 3 CO 0.04 -0.08 -1.32 1.17 -3.45 0.00 0.00 179.45 175.81 3e1d n LYS 4 N -4.39 0.62 -3.70 1.90 4.81 -1.26 -4.88 118.16 111.26 3e1d n LYS 4 Ca -0.00 0.14 -0.13 0.00 -0.87 0.00 0.00 58.31 57.45 3e1d n LYS 4 Cb 0.19 -1.78 -0.13 0.00 0.02 0.00 0.00 35.03 33.33 3e1d n LYS 4 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3e1d s SER 5 N -5.49 -0.03 0.04 3.14 0.15 -1.11 -5.05 113.70 105.35 3e1d s SER 5 Ca -0.03 0.60 0.03 0.00 0.70 0.00 0.00 55.95 57.25 3e1d s SER 5 Cb 0.09 0.59 0.14 0.00 -1.71 0.00 0.00 66.02 65.14 3e1d s SER 5 CO 0.81 -0.20 1.06 0.00 1.20 0.00 0.00 173.24 176.11 3e1d n ALA 6 N 4.74 0.96 -1.83 5.45 0.00 -1.08 -4.17 120.51 124.58 3e1d n ALA 6 Ca -0.17 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3e1d n ALA 6 Cb 0.52 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3e1d n ALA 6 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3e1d n ARG 7 N -1.57 0.00 -1.68 0.00 1.85 -1.26 -4.89 116.66 109.10 3e1d n ARG 7 Ca -0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.40 3e1d n ARG 7 Cb 0.03 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.40 3e1d n ARG 7 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 3e1d n ILE 8 N 0.00 0.27 0.00 8.89 3.06 -1.26 -3.44 119.36 126.89 3e1d n ILE 8 Ca 0.00 -0.05 0.00 0.00 -2.50 0.00 0.00 62.75 60.20 3e1d n ILE 8 Cb 0.26 -1.87 0.00 0.00 0.54 0.00 0.00 39.64 38.57 3e1d n ILE 8 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 3e1d n ARG 9 N 5.04 0.00 0.15 9.51 3.00 -1.26 -4.64 116.66 128.45 3e1d n ARG 9 Ca 0.19 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 58.07 3e1d n ARG 9 Cb 0.33 -1.38 0.20 0.00 0.00 0.00 0.00 32.46 31.60 3e1d n ARG 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3e1d n ARG 10 N 0.00 0.06 0.00 -0.14 1.74 -1.24 -1.68 116.66 115.40 3e1d n ARG 10 Ca 0.00 0.49 0.13 0.00 -0.77 0.00 0.00 57.85 57.71 3e1d n ARG 10 Cb 0.00 -2.13 0.52 0.00 -1.02 0.00 0.00 32.46 29.83 3e1d n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3e1d n ALA 11 N -1.42 2.78 0.07 7.54 0.00 -1.22 -4.19 120.51 124.07 3e1d n ALA 11 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3e1d n ALA 11 Cb 0.46 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3e1d n ALA 11 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3e1d n THR 12 N -1.39 0.27 0.30 0.00 -2.24 -0.68 -4.95 114.28 105.60 3e1d n THR 12 Ca 0.08 0.09 0.18 0.00 -2.27 0.00 0.00 64.05 62.13 3e1d n THR 12 Cb 0.32 -0.88 0.78 0.00 -2.10 0.00 0.00 70.33 68.46 3e1d n THR 12 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 3e1d h ARG 13 N 0.00 0.00 -0.01 -0.78 0.11 -1.61 -2.60 114.38 109.49 3e1d h ARG 13 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3e1d h ARG 13 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 3e1d h ARG 13 CO 0.00 0.00 -0.51 0.00 0.10 0.00 0.00 179.97 179.56 3e1d n ALA 14 N -2.06 3.65 -1.73 0.08 0.00 -0.83 -4.50 120.51 115.11 3e1d n ALA 14 Ca -0.00 -0.52 0.01 0.00 0.00 0.00 0.00 53.44 52.93 3e1d n ALA 14 Cb 0.25 -0.93 0.02 0.00 0.00 0.00 0.00 19.45 18.78 3e1d n ALA 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3e1d n ARG 15 N -0.69 0.21 -0.50 0.00 1.74 -1.00 -4.92 116.66 111.50 3e1d n ARG 15 Ca 0.09 -1.13 -0.07 0.00 -0.77 0.00 0.00 57.85 55.96 3e1d n ARG 15 Cb 0.39 -0.63 0.03 0.00 -1.02 0.00 0.00 32.46 31.23 3e1d n ARG 15 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3e1d n ARG 16 N -0.18 1.35 -1.77 5.56 1.85 -1.13 -4.95 116.66 117.40 3e1d n ARG 16 Ca 0.02 -0.76 -0.42 0.00 -1.00 0.00 0.00 57.85 55.69 3e1d n ARG 16 Cb 0.66 -1.30 -0.03 0.00 -1.05 0.00 0.00 32.46 30.74 3e1d n ARG 16 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 3e1d s LYS 17 N -0.86 4.15 0.02 2.89 2.20 -1.26 -4.86 119.74 122.03 3e1d s LYS 17 Ca 0.15 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.28 3e1d s LYS 17 Cb 0.12 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 3e1d s LYS 17 CO 0.01 -0.81 0.00 1.28 -0.36 0.00 0.00 175.35 175.47 3e1d n LEU 18 N 5.58 0.09 0.02 5.43 4.77 -1.26 -5.04 117.00 126.58 3e1d n LEU 18 Ca 0.17 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3e1d n LEU 18 Cb 0.39 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3e1d n LEU 18 CO 0.65 -0.26 0.00 1.67 -1.33 0.00 0.00 177.39 178.11 3e1d n GLN 19 N -2.91 0.00 0.23 3.23 7.27 -1.26 -4.99 117.38 118.95 3e1d n GLN 19 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3e1d n GLN 19 Cb 0.27 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.92 3e1d n GLN 19 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 3e1d n GLU 20 N -2.58 0.02 -1.10 3.69 0.00 -1.26 -4.86 120.64 114.55 3e1d n GLU 20 Ca 0.00 0.67 -0.08 0.00 0.00 0.00 0.00 57.16 57.74 3e1d n GLU 20 Cb 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 31.44 29.58 3e1d n GLU 20 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 3e1d n LEU 21 N -1.90 -0.30 0.00 -1.84 -0.00 -1.26 -4.87 117.00 106.83 3e1d n LEU 21 Ca 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 56.01 56.21 3e1d n LEU 21 Cb 0.71 -2.03 0.00 0.00 -0.00 0.00 0.00 43.42 42.10 3e1d n LEU 21 CO 0.00 -0.73 0.00 0.61 -0.00 0.00 0.00 177.39 177.27 3e1d n GLY 22 N 0.15 -2.03 3.41 1.47 0.00 -1.26 -4.44 105.19 102.49 3e1d n GLY 22 Ca -0.08 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 3e1d n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e1d s ALA 23 N -1.43 -1.08 -1.15 4.61 0.00 -1.26 -4.96 121.76 116.49 3e1d s ALA 23 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 3e1d s ALA 23 Cb 0.00 0.79 0.17 0.00 0.00 0.00 0.00 23.12 24.08 3e1d s ALA 23 CO 0.00 -0.73 2.29 0.25 0.00 0.00 0.00 175.76 177.57 3e1d n THR 24 N -0.30 5.19 -0.60 0.00 -2.24 -1.26 -3.61 114.28 111.46 3e1d n THR 24 Ca -0.14 -4.56 -0.04 0.00 -2.27 0.00 0.00 64.05 57.04 3e1d n THR 24 Cb 0.64 -1.88 0.01 0.00 -2.10 0.00 0.00 70.33 66.99 3e1d n THR 24 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3e1d n ARG 25 N 1.16 1.20 0.00 -0.78 3.00 -1.25 -4.17 116.66 115.81 3e1d n ARG 25 Ca 0.57 -0.37 0.00 0.00 -0.00 0.00 0.00 57.85 58.05 3e1d n ARG 25 Cb 0.28 -1.15 0.00 0.00 0.00 0.00 0.00 32.46 31.59 3e1d n ARG 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3e1d n LEU 26 N 1.25 0.00 0.00 6.15 4.77 -1.23 -4.01 117.00 123.92 3e1d n LEU 26 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3e1d n LEU 26 Cb 0.52 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3e1d n LEU 26 CO 0.09 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 176.67 3e1d n VAL 27 N -1.16 0.00 -2.22 4.08 0.31 -1.24 -0.76 118.33 117.34 3e1d n VAL 27 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3e1d n VAL 27 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3e1d n VAL 27 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 3e1d n VAL 28 N 0.00 -0.96 -3.35 2.52 3.14 -1.26 -4.95 118.33 113.48 3e1d n VAL 28 Ca 0.00 0.13 -0.20 0.00 -2.96 0.00 0.00 64.34 61.31 3e1d n VAL 28 Cb 0.00 -1.86 -0.08 0.00 -1.06 0.00 0.00 33.84 30.84 3e1d n VAL 28 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 3e1d s HIS 29 N -0.27 0.08 0.53 1.45 2.46 -1.26 -4.93 115.29 113.35 3e1d s HIS 29 Ca 0.00 -1.26 -0.02 0.00 0.47 0.00 0.00 55.06 54.26 3e1d s HIS 29 Cb 0.00 -0.55 0.01 0.00 -0.13 0.00 0.00 32.58 31.91 3e1d s HIS 29 CO 0.00 -0.94 0.78 -0.98 -2.47 0.00 0.00 174.74 171.14 3e1d s ARG 30 N 1.06 2.87 0.27 2.88 1.04 -1.26 -4.74 118.95 121.06 3e1d s ARG 30 Ca 0.21 -0.38 0.01 0.00 -1.04 0.00 0.00 55.73 54.52 3e1d s ARG 30 Cb -0.13 -2.43 -0.00 0.00 -2.04 0.00 0.00 34.95 30.35 3e1d s ARG 30 CO -0.05 -0.55 0.02 0.25 -0.04 0.00 0.00 175.30 174.94 3e1d n THR 31 N -2.34 0.00 0.28 4.99 -2.24 0.44 -4.86 114.28 110.54 3e1d n THR 31 Ca 0.04 -1.33 0.14 0.00 -2.27 0.00 0.00 64.05 60.63 3e1d n THR 31 Cb 0.58 0.32 0.74 0.00 -2.10 0.00 0.00 70.33 69.87 3e1d n THR 31 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3e1d h PRO 32 N 0.00 0.00 0.00 -0.78 0.11 -2.05 -3.36 132.00 125.92 3e1d h PRO 32 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3e1d h PRO 32 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 3e1d h PRO 32 CO 0.36 0.00 0.00 2.89 -0.21 0.00 0.00 178.00 181.04 3e1d n ARG 33 N -2.65 0.00 -4.42 1.05 1.85 -1.26 -5.08 116.66 106.15 3e1d n ARG 33 Ca -0.02 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.63 3e1d n ARG 33 Cb 0.29 -0.18 -0.10 0.00 -1.05 0.00 0.00 32.46 31.41 3e1d n ARG 33 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 3e1d s HIS 34 N 0.00 1.87 0.00 2.89 5.04 -1.26 -5.09 115.29 118.74 3e1d s HIS 34 Ca 0.00 -0.91 0.00 0.00 -1.54 0.00 0.00 55.06 52.61 3e1d s HIS 34 Cb 0.00 -1.17 0.00 0.00 0.04 0.00 0.00 32.58 31.45 3e1d s HIS 34 CO 0.00 0.04 0.00 -0.89 -2.34 0.00 0.00 174.74 171.55 3e1d n ILE 35 N -0.61 0.00 -0.19 0.89 5.41 -1.26 -0.42 119.36 123.18 3e1d n ILE 35 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.72 3e1d n ILE 35 Cb 0.65 -0.93 0.00 0.00 -0.71 0.00 0.00 39.64 38.65 3e1d n ILE 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3e1d n TYR 36 N -2.65 0.00 -2.44 1.39 -0.00 -1.26 -4.12 117.16 108.08 3e1d n TYR 36 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.47 3e1d n TYR 36 Cb 0.31 -0.96 -0.02 0.00 -0.00 0.00 0.00 39.34 38.67 3e1d n TYR 36 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3e1d s ALA 37 N -1.40 3.57 0.05 2.98 0.00 -1.26 -4.49 121.76 121.21 3e1d s ALA 37 Ca 0.00 0.56 -0.03 0.00 0.00 0.00 0.00 51.96 52.49 3e1d s ALA 37 Cb 0.00 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 3e1d s ALA 37 CO 0.00 -0.94 0.04 -0.65 0.00 0.00 0.00 175.76 174.21 3e1d s GLN 38 N 2.76 0.64 -0.54 0.00 -0.21 0.06 -4.19 119.66 118.18 3e1d s GLN 38 Ca 0.56 -1.05 -0.26 0.00 0.02 0.00 0.00 55.36 54.62 3e1d s GLN 38 Cb -0.24 0.23 -0.04 0.00 1.00 0.00 0.00 33.01 33.97 3e1d s GLN 38 CO 0.19 -0.14 2.10 0.08 -2.12 0.00 0.00 175.29 175.40 3e1d s VAL 39 N -3.54 3.20 0.40 1.09 1.01 -1.26 -3.53 120.40 117.76 3e1d s VAL 39 Ca 0.03 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 3e1d s VAL 39 Cb 0.05 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 3e1d s VAL 39 CO -0.09 -0.48 0.69 -0.51 0.00 0.00 0.00 175.10 174.72 3e1d s ILE 40 N 10.33 4.94 0.77 2.22 2.07 -1.26 -4.81 121.20 135.46 3e1d s ILE 40 Ca 0.82 0.16 -0.12 0.00 -1.41 0.00 0.00 60.65 60.10 3e1d s ILE 40 Cb -0.15 -3.80 0.05 0.00 0.13 0.00 0.00 42.46 38.68 3e1d s ILE 40 CO 0.24 -0.61 1.10 0.00 -1.91 0.00 0.00 174.94 173.76 3e1d s ALA 41 N -2.44 2.48 1.06 1.50 0.00 -1.26 -3.90 121.76 119.20 3e1d s ALA 41 Ca 0.46 -0.29 -0.15 0.00 0.00 0.00 0.00 51.96 51.98 3e1d s ALA 41 Cb -0.10 -3.07 0.22 0.00 0.00 0.00 0.00 23.12 20.17 3e1d s ALA 41 CO 0.37 -1.54 1.13 -1.25 0.00 0.00 0.00 175.76 174.47 3e1d s PRO 42 N -5.26 -0.10 0.63 0.00 0.04 -1.24 -4.46 135.00 124.62 3e1d s PRO 42 Ca 0.60 0.16 -0.18 0.00 0.04 0.00 0.00 61.00 61.62 3e1d s PRO 42 Cb -0.13 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 3e1d s PRO 42 CO 0.53 -3.01 1.27 -0.80 0.04 0.00 0.00 177.00 175.03 3e1d s ASN 43 N -3.85 4.80 0.00 6.66 0.02 -1.26 -1.48 114.94 119.82 3e1d s ASN 43 Ca 0.68 2.55 0.00 0.00 -1.02 0.00 0.00 52.86 55.07 3e1d s ASN 43 Cb -0.13 -2.61 0.00 0.00 0.02 0.00 0.00 41.25 38.52 3e1d s ASN 43 CO 0.56 -1.87 0.00 0.61 0.02 0.00 0.00 177.10 176.42 3e1d n GLY 44 N 0.77 0.38 0.00 0.66 0.00 -1.26 -4.80 105.19 100.95 3e1d n GLY 44 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3e1d n GLY 44 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3e1d n SER 45 N -0.28 0.00 0.00 1.61 2.88 -0.55 -4.99 113.62 112.29 3e1d n SER 45 Ca 0.00 -1.00 0.09 0.00 -1.33 0.00 0.00 58.87 56.63 3e1d n SER 45 Cb 0.14 -0.00 0.41 0.00 -0.75 0.00 0.00 64.21 64.01 3e1d n SER 45 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3e1d n GLU 46 N 0.00 0.00 0.00 -1.46 0.00 -1.04 -3.01 120.64 115.14 3e1d n GLU 46 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 57.16 57.36 3e1d n GLU 46 Cb 0.50 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.61 3e1d n GLU 46 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3e1d n VAL 47 N -1.50 1.08 -2.93 3.84 0.24 -1.26 -4.48 118.33 113.31 3e1d n VAL 47 Ca 0.05 0.27 -0.44 0.00 -2.04 0.00 0.00 64.34 62.18 3e1d n VAL 47 Cb 0.23 -1.15 -0.04 0.00 -1.47 0.00 0.00 33.84 31.41 3e1d n VAL 47 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3e1d s LEU 48 N -2.71 4.72 0.52 1.34 1.43 -1.16 -5.05 118.68 117.76 3e1d s LEU 48 Ca 0.06 -1.22 0.06 0.00 -1.03 0.00 0.00 54.13 52.00 3e1d s LEU 48 Cb 0.05 -2.39 0.03 0.00 0.03 0.00 0.00 46.19 43.91 3e1d s LEU 48 CO 0.12 -1.32 0.43 0.68 0.23 0.00 0.00 176.35 176.49 3e1d s VAL 49 N 3.56 1.90 0.05 -1.59 -7.23 -1.26 -4.21 120.40 111.62 3e1d s VAL 49 Ca 0.20 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 3e1d s VAL 49 Cb -0.18 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.44 3e1d s VAL 49 CO 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.86 3e1d n ALA 50 N -1.76 3.00 0.00 1.32 0.00 -1.26 -5.01 120.51 116.81 3e1d n ALA 50 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3e1d n ALA 50 Cb 0.64 0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.30 3e1d n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1d n ALA 51 N -2.94 1.23 0.00 0.00 0.00 -1.26 -5.02 120.51 112.52 3e1d n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3e1d n ALA 51 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 3e1d n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3e1d n SER 52 N -0.86 0.00 0.00 0.00 7.64 -1.26 0.02 113.62 119.16 3e1d n SER 52 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 3e1d n SER 52 Cb 0.00 0.00 0.42 0.00 -1.01 0.00 0.00 64.21 63.62 3e1d n SER 52 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3e1d n THR 53 N 0.00 0.64 0.00 0.44 -2.24 -1.26 -4.29 114.28 107.58 3e1d n THR 53 Ca 0.00 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 3e1d n THR 53 Cb 0.00 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 3e1d n THR 53 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3e1d n VAL 54 N -1.49 0.00 0.74 2.28 3.14 0.10 -4.71 118.33 118.39 3e1d n VAL 54 Ca 0.05 0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.49 3e1d n VAL 54 Cb 0.23 0.00 0.36 0.00 -1.06 0.00 0.00 33.84 33.36 3e1d n VAL 54 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 3e1d n GLU 55 N -0.69 0.34 0.00 1.45 0.28 -1.26 -1.98 120.64 118.78 3e1d n GLU 55 Ca 0.00 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 3e1d n GLU 55 Cb 0.00 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.37 3e1d n GLU 55 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3e1d n LYS 56 N -1.07 0.24 0.16 3.44 4.81 -1.26 -2.03 118.16 122.45 3e1d n LYS 56 Ca 0.09 -0.05 0.03 0.00 -0.87 0.00 0.00 58.31 57.51 3e1d n LYS 56 Cb 0.06 -0.42 0.22 0.00 0.02 0.00 0.00 35.03 34.91 3e1d n LYS 56 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3e1d h ALA 57 N 0.00 0.88 0.00 3.14 0.00 -1.69 -3.42 119.26 118.17 3e1d h ALA 57 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3e1d h ALA 57 Cb 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3e1d h ALA 57 CO 0.00 0.58 -0.48 0.44 0.00 0.00 0.00 179.25 179.79 3e1d n ILE 58 N -3.47 0.00 -4.05 0.00 -5.35 -1.13 -5.05 119.36 100.30 3e1d n ILE 58 Ca 0.00 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.41 3e1d n ILE 58 Cb 0.60 -0.52 -0.10 0.00 -1.74 0.00 0.00 39.64 37.87 3e1d n ILE 58 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3e1d s ALA 59 N -1.68 0.37 -0.35 -1.28 0.00 -1.26 -5.08 121.76 112.48 3e1d s ALA 59 Ca 0.00 -1.05 -0.38 0.00 0.00 0.00 0.00 51.96 50.54 3e1d s ALA 59 Cb 0.00 0.27 -0.14 0.00 0.00 0.00 0.00 23.12 23.25 3e1d s ALA 59 CO 0.00 -0.35 2.07 -0.85 0.00 0.00 0.00 175.76 176.63 3e1d n GLU 60 N 0.33 0.96 -0.82 0.00 0.28 -1.26 -2.09 120.64 118.04 3e1d n GLU 60 Ca -0.16 0.29 -0.04 0.00 -0.16 0.00 0.00 57.16 57.09 3e1d n GLU 60 Cb 0.60 -2.24 -0.02 0.00 1.43 0.00 0.00 31.44 31.22 3e1d n GLU 60 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3e1d n GLN 61 N 7.41 -1.68 -2.90 3.44 3.00 -0.86 -2.25 117.38 123.53 3e1d n GLN 61 Ca 0.39 0.40 -0.01 0.00 -0.01 0.00 0.00 57.00 57.77 3e1d n GLN 61 Cb 0.17 -4.17 -0.01 0.00 0.00 0.00 0.00 30.24 26.23 3e1d n GLN 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3e1d n LEU 62 N -0.69 -6.04 0.00 1.08 7.94 -0.89 -4.78 117.00 113.63 3e1d n LEU 62 Ca -0.04 1.14 0.05 0.00 -1.11 0.00 0.00 56.01 56.05 3e1d n LEU 62 Cb 0.28 -2.60 0.25 0.00 0.53 0.00 0.00 43.42 41.88 3e1d n LEU 62 CO 0.06 -2.66 0.62 2.29 -1.11 0.00 0.00 177.39 176.59 3e1d n LYS 63 N 1.16 0.10 -2.15 1.96 2.85 -0.95 -4.84 118.16 116.29 3e1d n LYS 63 Ca -0.05 0.23 -0.41 0.00 -1.05 0.00 0.00 58.31 57.04 3e1d n LYS 63 Cb 0.24 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.10 3e1d n LYS 63 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3e1d s TYR 64 N -2.70 3.11 0.62 5.58 4.12 -1.26 -5.03 117.35 121.80 3e1d s TYR 64 Ca 0.08 1.41 -0.11 0.00 0.02 0.00 0.00 57.07 58.47 3e1d s TYR 64 Cb 0.07 -3.64 -0.03 0.00 -1.52 0.00 0.00 41.96 36.83 3e1d s TYR 64 CO 0.16 -1.77 1.03 0.95 0.02 0.00 0.00 175.55 175.94 3e1d s THR 65 N -1.00 4.58 0.00 -0.71 -4.23 -1.26 -4.97 115.64 108.05 3e1d s THR 65 Ca 0.50 0.81 0.00 0.00 -1.18 0.00 0.00 61.69 61.81 3e1d s THR 65 Cb -0.39 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 69.63 3e1d s THR 65 CO 0.50 -1.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.11 3e1d n GLY 66 N -2.76 -0.94 2.39 3.99 0.00 -1.26 -4.63 105.19 101.97 3e1d n GLY 66 Ca 0.06 -1.20 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 3e1d n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3e1d n ASN 67 N -0.37 0.08 -4.35 1.61 5.15 -1.26 -5.09 115.26 111.04 3e1d n ASN 67 Ca 0.00 -3.10 -0.18 0.00 -0.60 0.00 0.00 54.58 50.70 3e1d n ASN 67 Cb 0.00 0.03 -0.10 0.00 -0.53 0.00 0.00 39.78 39.17 3e1d n ASN 67 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3e1d s LYS 68 N -1.80 1.40 0.60 1.20 1.02 -1.26 -5.06 119.74 115.84 3e1d s LYS 68 Ca 0.34 -1.73 0.34 0.00 0.02 0.00 0.00 55.97 54.94 3e1d s LYS 68 Cb 0.35 -0.61 1.91 0.00 -0.52 0.00 0.00 37.83 38.97 3e1d s LYS 68 CO -0.06 -0.14 2.24 0.38 -0.92 0.00 0.00 175.35 176.85 3e1d h ASP 69 N 2.40 0.00 -0.61 2.83 -0.00 -1.95 -0.33 116.42 118.75 3e1d h ASP 69 Ca -0.39 0.00 0.17 0.00 -0.00 0.00 0.00 57.03 56.82 3e1d h ASP 69 Cb 1.23 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 40.53 3e1d h ASP 69 CO 0.65 0.03 0.44 0.00 -0.00 0.00 0.00 179.24 180.35 3e1d h ALA 70 N 1.97 2.55 0.00 4.15 0.00 -1.98 -1.10 119.26 124.85 3e1d h ALA 70 Ca -0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3e1d h ALA 70 Cb 0.11 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3e1d h ALA 70 CO 0.00 -0.72 -0.29 0.00 0.00 0.00 0.00 179.25 178.24 3e1d h ALA 71 N 1.70 0.87 0.06 0.00 0.00 -1.42 -3.45 119.26 117.02 3e1d h ALA 71 Ca 0.29 -0.27 -0.28 0.00 0.00 0.00 0.00 54.91 54.65 3e1d h ALA 71 Cb 1.14 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3e1d h ALA 71 CO -0.01 0.37 -1.49 0.00 0.00 0.00 0.00 179.25 178.12 3e1d h ALA 72 N 1.71 0.44 -0.24 0.00 0.00 -1.34 -3.37 119.26 116.45 3e1d h ALA 72 Ca -0.00 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.73 3e1d h ALA 72 Cb 1.05 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3e1d h ALA 72 CO 0.04 1.30 0.00 0.00 0.00 0.00 0.00 179.25 180.59 3e1d n ALA 73 N -2.58 2.47 -0.08 0.00 0.00 -1.26 -4.71 120.51 114.34 3e1d n ALA 73 Ca -0.14 -0.76 0.14 0.00 0.00 0.00 0.00 53.44 52.68 3e1d n ALA 73 Cb 1.02 -0.95 0.54 0.00 0.00 0.00 0.00 19.45 20.06 3e1d n ALA 73 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3e1d h VAL 74 N 3.65 0.84 0.00 0.00 -1.51 -1.93 -3.30 116.25 114.00 3e1d h VAL 74 Ca 0.00 -0.11 -0.02 0.00 -1.23 0.00 0.00 66.70 65.34 3e1d h VAL 74 Cb 0.80 0.48 -0.00 0.00 -2.13 0.00 0.00 31.29 30.43 3e1d h VAL 74 CO 0.00 0.06 -0.09 1.23 -1.23 0.00 0.00 177.57 177.54 3e1d h GLY 75 N 0.33 0.00 0.00 5.19 0.00 -1.84 -2.98 103.07 103.77 3e1d h GLY 75 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3e1d h GLY 75 CO -0.07 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.64 3e1d n LYS 76 N -3.51 0.00 -0.33 4.80 4.81 -1.24 -2.05 118.16 120.64 3e1d n LYS 76 Ca -0.02 0.51 0.14 0.00 -0.87 0.00 0.00 58.31 58.07 3e1d n LYS 76 Cb 0.23 -1.37 0.33 0.00 0.02 0.00 0.00 35.03 34.24 3e1d n LYS 76 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3e1d h ALA 77 N -1.78 1.61 0.08 3.14 0.00 -1.77 -2.49 119.26 118.05 3e1d h ALA 77 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3e1d h ALA 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3e1d h ALA 77 CO 0.00 -0.19 -0.04 -0.24 0.00 0.00 0.00 179.25 178.79 3e1d h VAL 78 N 0.61 1.14 -0.64 0.00 3.04 -1.69 -3.30 116.25 115.40 3e1d h VAL 78 Ca 0.58 -0.79 -0.03 0.00 -1.01 0.00 0.00 66.70 65.45 3e1d h VAL 78 Cb 1.01 1.65 -0.03 0.00 -2.01 0.00 0.00 31.29 31.90 3e1d h VAL 78 CO -0.44 0.19 0.28 0.00 -1.01 0.00 0.00 177.57 176.59 3e1d h ALA 79 N 0.42 1.28 0.00 3.17 0.00 -1.10 -2.89 119.26 120.15 3e1d h ALA 79 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3e1d h ALA 79 Cb 0.40 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3e1d h ALA 79 CO 0.02 0.54 0.00 0.39 0.00 0.00 0.00 179.25 180.20 3e1d n GLU 80 N -4.33 0.01 -0.02 0.00 1.02 -0.97 -0.64 120.64 115.72 3e1d n GLU 80 Ca 0.06 0.30 -0.19 0.00 -0.02 0.00 0.00 57.16 57.31 3e1d n GLU 80 Cb 0.15 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.94 3e1d n GLU 80 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3e1d h ARG 81 N 0.00 0.16 -0.29 3.49 -0.00 -1.59 -3.32 114.38 112.83 3e1d h ARG 81 Ca 0.00 -0.27 -0.16 0.00 -0.50 0.00 0.00 59.98 59.06 3e1d h ARG 81 Cb 0.01 0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.07 3e1d h ARG 81 CO 0.00 1.13 -0.44 0.00 0.00 0.00 0.00 179.97 180.65 3e1d h ALA 82 N -0.06 0.67 -0.68 0.04 0.00 -1.08 -3.38 119.26 114.77 3e1d h ALA 82 Ca -0.18 -0.47 -0.46 0.00 0.00 0.00 0.00 54.91 53.81 3e1d h ALA 82 Cb 1.45 -0.10 -0.28 0.00 0.00 0.00 0.00 17.79 18.85 3e1d h ALA 82 CO 0.03 0.67 -0.11 1.28 0.00 0.00 0.00 179.25 181.13 3e1d n LEU 83 N -4.02 5.40 -0.28 0.00 4.77 0.19 -4.91 117.00 118.15 3e1d n LEU 83 Ca -0.02 -4.28 0.10 0.00 -0.03 0.00 0.00 56.01 51.77 3e1d n LEU 83 Cb 0.56 -0.62 0.25 0.00 -2.33 0.00 0.00 43.42 41.29 3e1d n LEU 83 CO 0.47 1.64 0.96 1.05 -1.33 0.00 0.00 177.39 180.19 3e1d h GLU 84 N 1.70 0.28 0.00 3.23 9.09 -1.75 -2.34 114.58 124.79 3e1d h GLU 84 Ca 0.39 -0.02 -0.17 0.00 0.05 0.00 0.00 59.36 59.61 3e1d h GLU 84 Cb 1.43 -0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 28.44 3e1d h GLU 84 CO 0.85 0.18 -0.82 -0.22 0.05 0.00 0.00 179.01 179.06 3e1d h LYS 85 N 0.28 0.00 -0.04 1.06 3.64 -1.90 -3.31 116.57 116.30 3e1d h LYS 85 Ca 0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 3e1d h LYS 85 Cb 0.94 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3e1d h LYS 85 CO -0.57 0.82 0.00 0.41 -2.27 0.00 0.00 179.45 177.84 3e1d n GLY 86 N 0.96 -0.67 0.30 5.01 0.00 -0.89 -4.31 105.19 105.59 3e1d n GLY 86 Ca -0.00 -0.19 0.18 0.00 0.00 0.00 0.00 46.02 46.01 3e1d n GLY 86 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3e1d h ILE 87 N 0.57 0.17 0.00 -0.61 3.07 -1.61 -3.41 117.51 115.69 3e1d h ILE 87 Ca 0.00 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 66.13 3e1d h ILE 87 Cb 0.12 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 37.91 3e1d h ILE 87 CO 0.00 0.03 0.00 0.29 -1.05 0.00 0.00 178.15 177.42 3e1d n LYS 88 N -3.27 0.06 -4.31 0.16 5.02 -1.26 -4.73 118.16 109.83 3e1d n LYS 88 Ca -0.02 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.08 3e1d n LYS 88 Cb 0.18 -1.02 -0.09 0.00 -0.02 0.00 0.00 35.03 34.08 3e1d n LYS 88 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3e1d s ASP 89 N -1.24 1.60 -1.12 4.39 1.01 -1.26 -4.76 116.67 115.29 3e1d s ASP 89 Ca 0.00 -1.67 -0.18 0.00 0.71 0.00 0.00 52.55 51.42 3e1d s ASP 89 Cb 0.00 0.50 0.12 0.00 1.01 0.00 0.00 42.92 44.55 3e1d s ASP 89 CO 0.00 -0.99 1.42 -0.69 0.21 0.00 0.00 175.17 175.12 3e1d s VAL 90 N -3.54 4.56 -0.79 -1.27 1.01 -1.17 -3.99 120.40 115.22 3e1d s VAL 90 Ca 0.37 -1.87 -0.24 0.00 0.00 0.00 0.00 61.98 60.24 3e1d s VAL 90 Cb 0.03 -4.96 -0.18 0.00 0.00 0.00 0.00 36.38 31.27 3e1d s VAL 90 CO 0.22 -1.73 1.89 -1.20 0.00 0.00 0.00 175.10 174.28 3e1d n SER 91 N 7.04 2.33 -4.65 3.32 7.64 -1.26 -4.75 113.62 123.28 3e1d n SER 91 Ca 0.35 -2.64 -0.25 0.00 1.01 0.00 0.00 58.87 57.35 3e1d n SER 91 Cb 0.47 -1.25 -0.08 0.00 -1.01 0.00 0.00 64.21 62.34 3e1d n SER 91 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3e1d s PHE 92 N 8.17 2.56 0.45 1.43 5.36 -1.26 -4.83 117.98 129.87 3e1d s PHE 92 Ca 0.65 -0.48 -0.24 0.00 -0.96 0.00 0.00 56.93 55.90 3e1d s PHE 92 Cb 0.08 -1.59 -0.07 0.00 -0.34 0.00 0.00 43.02 41.10 3e1d s PHE 92 CO 0.17 0.42 1.21 0.34 -1.46 0.00 0.00 175.22 175.90 3e1d s ASP 93 N -3.75 6.15 0.13 6.13 2.15 -1.26 -3.84 116.67 122.37 3e1d s ASP 93 Ca 0.36 2.43 0.07 0.00 0.43 0.00 0.00 52.55 55.84 3e1d s ASP 93 Cb 0.01 -2.62 0.36 0.00 -0.30 0.00 0.00 42.92 40.38 3e1d s ASP 93 CO 0.20 -0.94 1.11 -1.14 -0.17 0.00 0.00 175.17 174.23 3e1d n ARG 94 N -0.34 0.04 -3.52 4.34 0.63 -1.26 -4.90 116.66 111.65 3e1d n ARG 94 Ca 0.06 0.47 -0.24 0.00 -0.92 0.00 0.00 57.85 57.23 3e1d n ARG 94 Cb 0.47 -1.78 0.04 0.00 0.45 0.00 0.00 32.46 31.64 3e1d n ARG 94 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3e1d n SER 95 N -1.69 -5.89 -0.22 6.15 7.64 -1.26 -4.19 113.62 114.16 3e1d n SER 95 Ca -0.00 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 59.03 3e1d n SER 95 Cb 0.14 -3.90 0.00 0.00 -1.01 0.00 0.00 64.21 59.45 3e1d n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3e1d n GLY 96 N -1.59 -1.36 3.36 0.23 0.00 -1.26 -1.96 105.19 102.61 3e1d n GLY 96 Ca -0.09 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 3e1d n GLY 96 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3e1d s PHE 97 N -0.02 1.44 0.82 1.61 5.36 -1.26 -4.42 117.98 121.51 3e1d s PHE 97 Ca 0.00 -1.50 -0.11 0.00 -0.96 0.00 0.00 56.93 54.36 3e1d s PHE 97 Cb 0.00 -0.46 0.08 0.00 -0.34 0.00 0.00 43.02 42.30 3e1d s PHE 97 CO 0.00 -0.95 1.10 -0.65 -1.46 0.00 0.00 175.22 173.25 3e1d s GLN 98 N -3.36 1.94 -0.08 10.12 -0.21 -1.26 -5.11 119.66 121.70 3e1d s GLN 98 Ca 0.37 0.65 0.03 0.00 0.02 0.00 0.00 55.36 56.43 3e1d s GLN 98 Cb 0.02 -1.90 0.01 0.00 1.00 0.00 0.00 33.01 32.13 3e1d s GLN 98 CO 0.24 -1.73 -0.17 0.71 -2.12 0.00 0.00 175.29 172.22 3e1d s TYR 99 N -3.13 1.88 0.33 0.91 1.51 -1.26 -5.07 117.35 112.53 3e1d s TYR 99 Ca 0.61 -0.75 -0.05 0.00 -1.01 0.00 0.00 57.07 55.88 3e1d s TYR 99 Cb -0.15 -1.32 0.01 0.00 -0.11 0.00 0.00 41.96 40.39 3e1d s TYR 99 CO 0.55 -0.34 0.50 -1.01 -1.11 0.00 0.00 175.55 174.13 3e1d s HIS 100 N 0.57 0.88 0.00 2.71 3.76 -1.26 -4.99 115.29 116.97 3e1d s HIS 100 Ca -0.16 -1.18 0.00 0.00 -0.15 0.00 0.00 55.06 53.58 3e1d s HIS 100 Cb -0.17 0.03 0.00 0.00 1.11 0.00 0.00 32.58 33.56 3e1d s HIS 100 CO 0.05 -1.15 0.52 0.41 -0.85 0.00 0.00 174.74 173.72 3e1d n GLY 101 N -0.53 -2.33 0.00 -2.22 0.00 -1.26 -1.62 105.19 97.23 3e1d n GLY 101 Ca -0.00 0.47 0.06 0.00 0.00 0.00 0.00 46.02 46.54 3e1d n GLY 101 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3e1d n ARG 102 N -1.78 0.33 -0.04 1.61 0.63 -1.26 -1.49 116.66 114.66 3e1d n ARG 102 Ca 0.00 0.03 -0.02 0.00 -0.92 0.00 0.00 57.85 56.93 3e1d n ARG 102 Cb 0.00 -1.50 -0.08 0.00 0.45 0.00 0.00 32.46 31.33 3e1d n ARG 102 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 3e1d n VAL 103 N -1.04 0.51 -0.11 5.15 0.24 -1.00 -4.86 118.33 117.22 3e1d n VAL 103 Ca 0.08 -0.38 -0.12 0.00 -2.04 0.00 0.00 64.34 61.88 3e1d n VAL 103 Cb 0.05 -0.49 -0.15 0.00 -1.47 0.00 0.00 33.84 31.77 3e1d n VAL 103 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3e1d n GLN 104 N -2.24 0.68 0.33 7.34 7.27 -0.64 -3.91 117.38 126.20 3e1d n GLN 104 Ca -0.13 0.04 0.19 0.00 0.07 0.00 0.00 57.00 57.17 3e1d n GLN 104 Cb 0.69 -1.52 1.02 0.00 2.41 0.00 0.00 30.24 32.84 3e1d n GLN 104 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3e1d h ALA 105 N 0.69 1.21 -0.10 1.69 0.00 -1.48 -3.20 119.26 118.07 3e1d h ALA 105 Ca -0.56 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3e1d h ALA 105 Cb 2.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.93 3e1d h ALA 105 CO -0.01 -0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.35 3e1d n LEU 106 N -3.04 1.94 0.21 0.00 7.99 -1.25 -4.22 117.00 118.63 3e1d n LEU 106 Ca -0.02 -0.72 0.07 0.00 -0.01 0.00 0.00 56.01 55.33 3e1d n LEU 106 Cb 0.23 -0.06 0.44 0.00 -0.11 0.00 0.00 43.42 43.93 3e1d n LEU 106 CO 0.18 0.36 0.77 0.00 -1.51 0.00 0.00 177.39 177.19 3e1d h ALA 107 N 4.33 1.13 0.07 -1.18 0.00 -1.78 -2.59 119.26 119.23 3e1d h ALA 107 Ca 0.00 -0.27 -0.26 0.00 0.00 0.00 0.00 54.91 54.37 3e1d h ALA 107 Cb 0.61 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3e1d h ALA 107 CO 0.00 0.37 -1.30 -0.44 0.00 0.00 0.00 179.25 177.88 3e1d h ASP 108 N 0.00 0.24 0.39 0.00 5.19 -1.86 -3.39 116.42 116.98 3e1d h ASP 108 Ca -0.00 -0.29 -0.06 0.00 -0.62 0.00 0.00 57.03 56.06 3e1d h ASP 108 Cb 0.71 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 3e1d h ASP 108 CO 0.04 1.23 -0.30 0.00 -3.12 0.00 0.00 179.24 177.10 3e1d h ALA 109 N 0.73 1.38 -0.03 3.45 0.00 -1.70 -0.41 119.26 122.68 3e1d h ALA 109 Ca -0.14 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3e1d h ALA 109 Cb 1.93 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.67 3e1d h ALA 109 CO 0.16 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.78 3e1d n ALA 110 N -2.42 2.54 -0.21 0.00 0.00 -1.16 -4.53 120.51 114.72 3e1d n ALA 110 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3e1d n ALA 110 Cb 0.36 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3e1d n ALA 110 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3e1d n ARG 111 N -0.52 1.70 0.05 0.00 0.63 -0.31 -4.80 116.66 113.41 3e1d n ARG 111 Ca 0.07 0.00 0.19 0.00 -0.92 0.00 0.00 57.85 57.18 3e1d n ARG 111 Cb 0.05 -0.14 0.70 0.00 0.45 0.00 0.00 32.46 33.52 3e1d n ARG 111 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3e1d h GLU 112 N 0.00 0.00 -0.01 -0.14 4.22 -1.40 -1.51 114.58 115.74 3e1d h GLU 112 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3e1d h GLU 112 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3e1d h GLU 112 CO 0.00 0.00 -0.44 0.00 -2.18 0.00 0.00 179.01 176.39 3e1d n ALA 113 N -2.59 3.47 0.00 2.92 0.00 -1.26 -5.09 120.51 117.97 3e1d n ALA 113 Ca 0.08 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3e1d n ALA 113 Cb 0.54 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.95 3e1d n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e1d n GLY 114 N 1.42 3.02 4.03 0.00 0.00 -0.57 -5.14 105.19 107.94 3e1d n GLY 114 Ca 0.09 -1.76 -0.20 0.00 0.00 0.00 0.00 46.02 44.15 3e1d n GLY 114 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3e1d s LEU 115 N 0.00 3.15 -0.42 0.99 1.43 -1.26 -4.82 118.68 117.75 3e1d s LEU 115 Ca 0.00 -0.74 0.02 0.00 -1.03 0.00 0.00 54.13 52.38 3e1d s LEU 115 Cb 0.00 -1.80 0.13 0.00 0.03 0.00 0.00 46.19 44.55 3e1d s LEU 115 CO 0.00 -1.33 0.21 -1.10 0.23 0.00 0.00 176.35 174.36 3e1d s GLN 116 N -4.68 1.24 0.00 1.70 -1.52 -1.26 -5.04 119.66 110.09 3e1d s GLN 116 Ca 0.62 -1.89 0.28 0.00 -1.95 0.00 0.00 55.36 52.41 3e1d s GLN 116 Cb -0.06 -2.36 0.95 0.00 -0.22 0.00 0.00 33.01 31.32 3e1d s GLN 116 CO 0.39 -1.13 1.69 1.19 -0.25 0.00 0.00 175.29 177.18