#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrk s ARG 3 N 0.00 4.24 0.00 0.00 0.52 -1.26 -4.41 118.95 118.04 2wrk s ARG 3 Ca 0.00 2.02 0.00 0.00 -0.52 0.00 0.00 55.73 57.23 2wrk s ARG 3 Cb 0.00 -3.74 0.00 0.00 0.52 0.00 0.00 34.95 31.73 2wrk s ARG 3 CO 0.00 -0.70 0.00 -0.89 0.02 0.00 0.00 175.30 173.73 2wrk n ILE 4 N 5.04 0.00 0.00 1.52 5.41 -0.25 -4.98 119.36 126.10 2wrk n ILE 4 Ca 0.15 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.90 2wrk n ILE 4 Cb 0.43 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.36 2wrk n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wrk n ALA 5 N -3.00 -0.00 -1.95 -1.39 0.00 -1.26 -4.73 120.51 108.17 2wrk n ALA 5 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2wrk n ALA 5 Cb 0.00 0.15 0.09 0.00 0.00 0.00 0.00 19.45 19.69 2wrk n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrk n GLY 6 N -0.80 -0.39 0.41 0.00 0.00 -1.26 -4.83 105.19 98.32 2wrk n GLY 6 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2wrk n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wrk n VAL 7 N -2.64 0.00 -3.40 1.61 0.31 -1.26 -4.70 118.33 108.25 2wrk n VAL 7 Ca 0.09 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.04 2wrk n VAL 7 Cb 0.33 -0.10 -0.06 0.00 -0.91 0.00 0.00 33.84 33.09 2wrk n VAL 7 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2wrk s GLU 8 N -1.19 4.03 -0.08 5.55 2.02 -1.26 -4.94 118.70 122.83 2wrk s GLU 8 Ca 0.00 0.55 -0.03 0.00 0.02 0.00 0.00 54.97 55.51 2wrk s GLU 8 Cb 0.00 -3.19 0.04 0.00 0.10 0.00 0.00 34.13 31.08 2wrk s GLU 8 CO 0.00 0.64 0.08 0.42 0.02 0.00 0.00 175.26 176.42 2wrk s ILE 9 N -1.14 -0.12 0.01 -1.63 1.09 -1.26 -1.09 121.20 117.05 2wrk s ILE 9 Ca 0.28 0.26 -0.08 0.00 -1.10 0.00 0.00 60.65 60.01 2wrk s ILE 9 Cb -0.18 -0.28 -0.05 0.00 -1.06 0.00 0.00 42.46 40.90 2wrk s ILE 9 CO 0.16 0.05 1.00 1.55 -0.10 0.00 0.00 174.94 177.61 2wrk h PRO 10 N 8.43 -0.29 0.00 2.79 0.13 -1.84 -3.49 132.00 137.73 2wrk h PRO 10 Ca -0.13 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2wrk h PRO 10 Cb 1.13 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2wrk h PRO 10 CO 0.19 -0.19 0.00 -2.13 -0.23 0.00 0.00 178.00 175.64 2wrk n ARG 11 N -2.89 0.00 0.00 0.86 0.63 -1.26 -4.87 116.66 109.13 2wrk n ARG 11 Ca -0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 2wrk n ARG 11 Cb 0.12 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.03 2wrk n ARG 11 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2wrk n ASN 12 N -0.89 0.00 -3.94 6.15 5.15 -1.26 -4.61 115.26 115.86 2wrk n ASN 12 Ca 0.00 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.87 2wrk n ASN 12 Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 2wrk n ASN 12 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2wrk s LYS 13 N 0.00 1.51 0.58 1.20 1.02 -1.26 -4.94 119.74 117.85 2wrk s LYS 13 Ca 0.00 -1.44 -0.20 0.00 0.02 0.00 0.00 55.97 54.35 2wrk s LYS 13 Cb 0.00 0.41 -0.04 0.00 -0.52 0.00 0.00 37.83 37.68 2wrk s LYS 13 CO 0.00 -0.59 1.28 0.54 -0.92 0.00 0.00 175.35 175.66 2wrk n ARG 14 N -0.38 1.39 0.13 1.68 1.74 -1.26 -2.00 116.66 117.97 2wrk n ARG 14 Ca -0.00 0.52 0.12 0.00 -0.77 0.00 0.00 57.85 57.72 2wrk n ARG 14 Cb 0.63 -2.50 0.12 0.00 -1.02 0.00 0.00 32.46 29.69 2wrk n ARG 14 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 2wrk h VAL 15 N 1.02 0.00 0.00 1.55 -1.51 -1.62 -1.90 116.25 113.79 2wrk h VAL 15 Ca -0.50 -0.87 0.00 0.00 -1.23 0.00 0.00 66.70 64.10 2wrk h VAL 15 Cb 1.32 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 32.07 2wrk h VAL 15 CO 0.55 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 175.99 2wrk n ASP 16 N -2.68 0.39 -0.10 4.19 3.85 -1.26 -2.84 116.55 118.10 2wrk n ASP 16 Ca 0.02 0.59 -0.20 0.00 -0.71 0.00 0.00 54.79 54.50 2wrk n ASP 16 Cb 0.51 -0.68 -0.07 0.00 -1.35 0.00 0.00 41.12 39.54 2wrk n ASP 16 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 2wrk n VAL 17 N -1.92 1.06 -0.34 2.12 0.31 -1.23 -4.55 118.33 113.78 2wrk n VAL 17 Ca 0.03 -0.29 -0.06 0.00 -0.01 0.00 0.00 64.34 64.01 2wrk n VAL 17 Cb 0.21 -1.67 -0.04 0.00 -0.91 0.00 0.00 33.84 31.44 2wrk n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wrk n ALA 18 N -3.74 -0.36 -0.21 3.52 0.00 -0.71 -0.63 120.51 118.37 2wrk n ALA 18 Ca -0.37 0.76 0.27 0.00 0.00 0.00 0.00 53.44 54.09 2wrk n ALA 18 Cb 0.78 -0.22 0.67 0.00 0.00 0.00 0.00 19.45 20.69 2wrk n ALA 18 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wrk h LEU 19 N 0.00 0.10 -1.23 0.00 -0.00 -1.82 -1.24 115.31 111.12 2wrk h LEU 19 Ca 0.20 0.01 0.25 0.00 -0.00 0.00 0.00 57.88 58.34 2wrk h LEU 19 Cb 0.41 -0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 40.96 2wrk h LEU 19 CO -0.80 0.03 0.64 0.74 -0.00 0.00 0.00 178.44 179.05 2wrk h THR 20 N 0.10 0.54 0.00 0.22 2.02 -1.01 0.67 112.91 115.45 2wrk h THR 20 Ca 0.46 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.47 2wrk h THR 20 Cb 1.64 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2wrk h THR 20 CO -0.06 0.09 0.00 -1.22 0.37 0.00 0.00 175.52 174.70 2wrk n TYR 21 N -4.71 0.00 -3.83 3.16 0.53 -0.47 -4.42 117.16 107.42 2wrk n TYR 21 Ca 0.26 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.77 2wrk n TYR 21 Cb 0.81 -0.00 -0.13 0.00 -1.03 0.00 0.00 39.34 38.99 2wrk n TYR 21 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 2wrk s ILE 22 N -1.88 3.59 -0.27 -0.72 1.09 0.23 -4.93 121.20 118.30 2wrk s ILE 22 Ca 0.00 -0.79 -0.33 0.00 -1.10 0.00 0.00 60.65 58.43 2wrk s ILE 22 Cb 0.00 -2.83 -0.09 0.00 -1.06 0.00 0.00 42.46 38.47 2wrk s ILE 22 CO 0.00 0.13 2.16 0.00 -0.10 0.00 0.00 174.94 177.13 2wrk n TYR 23 N 4.80 1.83 0.00 3.97 4.19 -1.26 0.86 117.16 131.55 2wrk n TYR 23 Ca -0.15 0.10 0.00 0.00 3.31 0.00 0.00 57.90 61.16 2wrk n TYR 23 Cb 0.48 -2.62 0.00 0.00 0.49 0.00 0.00 39.34 37.69 2wrk n TYR 23 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2wrk n GLY 24 N 5.97 2.05 3.36 2.98 0.00 -1.26 -1.95 105.19 116.34 2wrk n GLY 24 Ca 0.35 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 2wrk n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wrk s ILE 25 N -1.77 3.51 0.32 -0.61 1.01 0.25 -4.99 121.20 118.92 2wrk s ILE 25 Ca 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.22 2wrk s ILE 25 Cb 0.00 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.91 2wrk s ILE 25 CO 0.00 0.44 0.19 0.61 0.00 0.00 0.00 174.94 176.18 2wrk n GLY 26 N 4.47 3.07 0.08 6.18 0.00 -1.26 -4.03 105.19 113.70 2wrk n GLY 26 Ca -0.18 -2.26 0.07 0.00 0.00 0.00 0.00 46.02 43.66 2wrk n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wrk n LYS 27 N -1.16 0.09 -0.00 1.61 3.00 -1.26 -1.30 118.16 119.13 2wrk n LYS 27 Ca -0.04 0.49 -0.00 0.00 -0.00 0.00 0.00 58.31 58.76 2wrk n LYS 27 Cb 0.37 -1.74 -0.00 0.00 0.00 0.00 0.00 35.03 33.67 2wrk n LYS 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wrk h ALA 28 N 2.14 0.00 -0.96 3.14 0.00 -1.93 -3.29 119.26 118.35 2wrk h ALA 28 Ca 0.00 -0.17 0.27 0.00 0.00 0.00 0.00 54.91 55.01 2wrk h ALA 28 Cb 0.12 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2wrk h ALA 28 CO 0.00 0.02 0.68 0.00 0.00 0.00 0.00 179.25 179.95 2wrk h ARG 29 N -0.07 0.05 0.59 0.00 3.08 -1.93 -1.78 114.38 114.31 2wrk h ARG 29 Ca 0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2wrk h ARG 29 Cb 0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2wrk h ARG 29 CO 0.00 0.03 -0.47 0.00 -1.07 0.00 0.00 179.97 178.46 2wrk h ALA 30 N 1.53 -1.18 0.00 0.04 0.00 -1.36 0.42 119.26 118.71 2wrk h ALA 30 Ca 0.46 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2wrk h ALA 30 Cb 1.77 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 20.21 2wrk h ALA 30 CO -0.03 -1.18 -0.19 0.87 0.00 0.00 0.00 179.25 178.71 2wrk h LYS 31 N -1.02 0.00 0.02 0.00 1.57 -1.42 -2.71 116.57 113.01 2wrk h LYS 31 Ca -0.08 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.45 2wrk h LYS 31 Cb 0.85 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.18 2wrk h LYS 31 CO 0.01 0.19 -1.04 1.49 -0.57 0.00 0.00 179.45 179.53 2wrk h GLU 32 N 0.00 0.60 0.00 3.15 4.81 -1.07 -3.03 114.58 119.03 2wrk h GLU 32 Ca -0.00 -0.66 0.00 0.00 -0.13 0.00 0.00 59.36 58.57 2wrk h GLU 32 Cb 0.47 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.05 2wrk h GLU 32 CO 0.03 1.26 0.00 0.00 -0.73 0.00 0.00 179.01 179.57 2wrk h ALA 33 N 0.50 1.00 0.09 2.92 0.00 0.15 -2.44 119.26 121.48 2wrk h ALA 33 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2wrk h ALA 33 Cb 1.69 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.50 2wrk h ALA 33 CO 0.20 0.00 -0.54 -0.07 0.00 0.00 0.00 179.25 178.84 2wrk h LEU 34 N 0.00 0.32 -0.65 0.00 3.38 -1.39 -1.91 115.31 115.06 2wrk h LEU 34 Ca 0.00 -0.96 -0.01 0.00 0.09 0.00 0.00 57.88 57.00 2wrk h LEU 34 Cb 0.32 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2wrk h LEU 34 CO 0.00 1.25 0.36 1.05 0.09 0.00 0.00 178.44 181.19 2wrk h GLU 35 N -0.56 0.90 0.00 1.13 4.11 -1.44 0.72 114.58 119.45 2wrk h GLU 35 Ca -0.09 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.23 2wrk h GLU 35 Cb 1.41 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2wrk h GLU 35 CO 0.10 0.68 0.00 1.63 0.07 0.00 0.00 179.01 181.49 2wrk n LYS 36 N -4.54 0.00 0.00 1.06 4.76 -0.93 -1.49 118.16 117.02 2wrk n LYS 36 Ca 0.05 0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 2wrk n LYS 36 Cb 0.09 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 2wrk n LYS 36 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2wrk n THR 37 N -1.30 1.16 -3.54 -0.18 -2.24 -0.72 -4.83 114.28 102.62 2wrk n THR 37 Ca 0.00 0.31 -0.22 0.00 -2.27 0.00 0.00 64.05 61.86 2wrk n THR 37 Cb 0.00 -1.31 0.03 0.00 -2.10 0.00 0.00 70.33 66.95 2wrk n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wrk n GLY 38 N -1.28 -1.12 2.96 3.38 0.00 0.24 -5.00 105.19 104.38 2wrk n GLY 38 Ca 0.00 0.50 -0.23 0.00 0.00 0.00 0.00 46.02 46.29 2wrk n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wrk s ILE 39 N -3.26 0.90 -0.01 -0.61 1.01 -0.48 -5.02 121.20 113.74 2wrk s ILE 39 Ca 0.28 -0.33 -0.32 0.00 0.00 0.00 0.00 60.65 60.27 2wrk s ILE 39 Cb -0.09 -0.86 -0.11 0.00 0.01 0.00 0.00 42.46 41.40 2wrk s ILE 39 CO 0.84 0.31 1.89 -3.20 0.00 0.00 0.00 174.94 174.78 2wrk n ASN 40 N 4.01 3.73 0.08 3.58 5.15 -1.26 -4.75 115.26 125.81 2wrk n ASN 40 Ca -0.22 0.96 -0.12 0.00 -0.60 0.00 0.00 54.58 54.59 2wrk n ASN 40 Cb 0.51 -1.44 -0.06 0.00 -0.53 0.00 0.00 39.78 38.26 2wrk n ASN 40 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2wrk h PRO 41 N 9.38 -0.20 -0.95 1.20 0.11 -1.98 -3.25 132.00 136.31 2wrk h PRO 41 Ca -0.48 0.01 0.18 0.00 0.11 0.00 0.00 66.00 65.82 2wrk h PRO 41 Cb 1.25 0.04 -0.18 0.00 0.11 0.00 0.00 31.00 32.23 2wrk h PRO 41 CO 0.94 -0.13 -0.26 0.00 -0.21 0.00 0.00 178.00 178.34 2wrk n ALA 42 N -2.29 0.16 -1.66 -0.75 0.00 -1.26 -3.44 120.51 111.27 2wrk n ALA 42 Ca -0.07 1.03 -0.48 0.00 0.00 0.00 0.00 53.44 53.92 2wrk n ALA 42 Cb 0.14 -0.59 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 2wrk n ALA 42 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wrk n THR 43 N -5.52 0.15 -2.17 0.00 -2.24 -1.23 -4.64 114.28 98.64 2wrk n THR 43 Ca 0.14 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.55 2wrk n THR 43 Cb 0.46 -1.50 0.01 0.00 -2.10 0.00 0.00 70.33 67.19 2wrk n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wrk s ARG 44 N 1.74 3.32 0.52 -0.78 1.81 -1.26 -3.63 118.95 120.66 2wrk s ARG 44 Ca 0.84 1.44 0.21 0.00 -1.72 0.00 0.00 55.73 56.50 2wrk s ARG 44 Cb -0.74 -2.02 1.33 0.00 -0.45 0.00 0.00 34.95 33.07 2wrk s ARG 44 CO 0.44 -0.84 2.05 0.28 -0.68 0.00 0.00 175.30 176.55 2wrk h VAL 45 N 0.89 0.84 0.00 3.52 2.07 -1.66 0.40 116.25 122.32 2wrk h VAL 45 Ca -0.49 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2wrk h VAL 45 Cb 1.24 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2wrk h VAL 45 CO 0.57 0.00 0.00 1.17 0.02 0.00 0.00 177.57 179.33 2wrk n LYS 46 N -4.44 0.03 -3.51 1.57 0.00 -1.26 -3.67 118.16 106.88 2wrk n LYS 46 Ca 0.05 0.52 -0.29 0.00 0.00 0.00 0.00 58.31 58.59 2wrk n LYS 46 Cb 0.40 -1.58 -0.12 0.00 0.00 0.00 0.00 35.03 33.73 2wrk n LYS 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2wrk s ASP 47 N -3.19 2.89 -0.10 3.14 1.11 0.14 -5.06 116.67 115.60 2wrk s ASP 47 Ca -0.00 -2.43 -0.04 0.00 0.18 0.00 0.00 52.55 50.25 2wrk s ASP 47 Cb 0.01 -0.54 0.05 0.00 1.07 0.00 0.00 42.92 43.51 2wrk s ASP 47 CO 0.04 -0.28 0.22 -0.76 1.18 0.00 0.00 175.17 175.58 2wrk s LEU 48 N 0.74 0.29 0.25 1.23 1.43 -1.24 -4.50 118.68 116.88 2wrk s LEU 48 Ca 0.20 0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 53.48 2wrk s LEU 48 Cb -0.19 0.61 -0.14 0.00 0.03 0.00 0.00 46.19 46.50 2wrk s LEU 48 CO -0.03 -0.18 1.10 0.41 0.23 0.00 0.00 176.35 177.88 2wrk n THR 49 N 4.54 1.60 0.08 5.49 -1.04 -1.26 -4.69 114.28 119.01 2wrk n THR 49 Ca -0.20 -0.40 0.06 0.00 -2.04 0.00 0.00 64.05 61.47 2wrk n THR 49 Cb 0.52 -1.02 0.30 0.00 -1.82 0.00 0.00 70.33 68.31 2wrk n THR 49 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2wrk n GLU 50 N 1.12 0.07 -0.06 -2.82 -0.58 -1.26 -0.70 120.64 116.42 2wrk n GLU 50 Ca 0.11 0.56 -0.02 0.00 -0.42 0.00 0.00 57.16 57.39 2wrk n GLU 50 Cb 0.30 -1.75 -0.01 0.00 -0.57 0.00 0.00 31.44 29.41 2wrk n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wrk h ALA 51 N 1.94 0.00 -0.60 0.62 0.00 -1.99 -3.32 119.26 115.91 2wrk h ALA 51 Ca 0.00 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 54.75 2wrk h ALA 51 Cb 0.04 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 2wrk h ALA 51 CO 0.00 0.28 -0.03 0.93 0.00 0.00 0.00 179.25 180.42 2wrk h GLU 52 N -0.96 0.08 -0.23 0.00 5.08 -1.54 0.91 114.58 117.92 2wrk h GLU 52 Ca 0.00 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2wrk h GLU 52 Cb 0.28 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2wrk h GLU 52 CO 0.00 0.06 -0.28 0.28 -1.00 0.00 0.00 179.01 178.06 2wrk h VAL 53 N 0.09 0.00 0.59 3.13 2.07 -1.10 0.91 116.25 121.94 2wrk h VAL 53 Ca 0.31 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.80 2wrk h VAL 53 Cb 0.49 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2wrk h VAL 53 CO -0.54 0.00 -0.28 0.58 0.02 0.00 0.00 177.57 177.35 2wrk h VAL 54 N -0.18 0.00 -1.34 2.57 2.07 -1.47 -1.68 116.25 116.21 2wrk h VAL 54 Ca 0.04 -0.02 0.39 0.00 0.82 0.00 0.00 66.70 67.93 2wrk h VAL 54 Cb 0.29 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.01 2wrk h VAL 54 CO -0.32 0.00 1.04 -1.14 0.02 0.00 0.00 177.57 177.17 2wrk n ARG 55 N -4.18 0.00 -0.04 1.57 0.63 0.31 0.65 116.66 115.60 2wrk n ARG 55 Ca -0.10 0.80 -0.00 0.00 -0.92 0.00 0.00 57.85 57.63 2wrk n ARG 55 Cb 0.31 -1.87 -0.00 0.00 0.45 0.00 0.00 32.46 31.35 2wrk n ARG 55 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2wrk h LEU 56 N 0.00 0.00 -1.46 6.15 7.12 0.15 -3.32 115.31 123.96 2wrk h LEU 56 Ca 0.64 0.00 0.17 0.00 0.13 0.00 0.00 57.88 58.81 2wrk h LEU 56 Cb 2.71 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 42.77 2wrk h LEU 56 CO -0.01 0.37 0.56 0.08 -0.13 0.00 0.00 178.44 179.31 2wrk h ARG 57 N -0.70 0.49 -0.41 1.25 0.11 0.60 0.97 114.38 116.68 2wrk h ARG 57 Ca 0.00 -0.03 0.12 0.00 0.10 0.00 0.00 59.98 60.17 2wrk h ARG 57 Cb 0.04 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.00 2wrk h ARG 57 CO 0.00 0.32 0.47 0.93 0.10 0.00 0.00 179.97 181.79 2wrk h GLU 58 N 0.50 0.00 0.00 0.08 4.39 0.08 0.92 114.58 120.56 2wrk h GLU 58 Ca 0.43 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 60.04 2wrk h GLU 58 Cb 0.92 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 2wrk h GLU 58 CO -0.17 0.00 -0.94 0.98 -1.16 0.00 0.00 179.01 177.72 2wrk n TYR 59 N -3.65 0.72 -0.03 4.33 9.36 0.32 -3.73 117.16 124.47 2wrk n TYR 59 Ca 0.07 0.31 -0.02 0.00 3.32 0.00 0.00 57.90 61.58 2wrk n TYR 59 Cb 0.64 -0.82 -0.02 0.00 -0.63 0.00 0.00 39.34 38.51 2wrk n TYR 59 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2wrk h VAL 60 N -1.00 0.00 0.16 2.97 2.07 -0.20 -2.11 116.25 118.14 2wrk h VAL 60 Ca -0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2wrk h VAL 60 Cb 0.87 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2wrk h VAL 60 CO -0.09 0.00 -0.15 -0.33 0.02 0.00 0.00 177.57 177.02 2wrk h GLU 61 N -0.06 -0.32 0.00 1.57 5.08 -1.11 -2.76 114.58 116.97 2wrk h GLU 61 Ca 0.02 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2wrk h GLU 61 Cb 0.10 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2wrk h GLU 61 CO -0.12 -0.22 0.00 0.09 -1.00 0.00 0.00 179.01 177.77 2wrk n ASN 62 N -5.28 0.00 0.00 1.42 4.13 -1.17 -4.52 115.26 109.84 2wrk n ASN 62 Ca -0.08 0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.22 2wrk n ASN 62 Cb 0.19 -0.16 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 2wrk n ASN 62 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2wrk n THR 63 N -1.16 0.00 -1.80 3.41 -1.04 -0.80 -5.03 114.28 107.85 2wrk n THR 63 Ca 0.03 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.66 2wrk n THR 63 Cb 0.03 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.58 2wrk n THR 63 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 2wrk s TRP 64 N 3.36 2.35 0.41 -1.42 -2.14 -1.26 -5.00 118.94 115.25 2wrk s TRP 64 Ca 0.00 1.34 -0.14 0.00 2.66 0.00 0.00 56.10 59.96 2wrk s TRP 64 Cb 0.00 -3.83 -0.08 0.00 -3.10 0.00 0.00 33.47 26.46 2wrk s TRP 64 CO 0.00 -2.87 0.83 -1.59 -2.66 0.00 0.00 176.95 170.66 2wrk s LYS 65 N -2.76 3.93 0.00 3.25 -2.85 -1.26 -4.75 119.74 115.30 2wrk s LYS 65 Ca 0.68 0.71 0.00 0.00 -1.00 0.00 0.00 55.97 56.36 2wrk s LYS 65 Cb -0.41 -2.32 0.00 0.00 -2.06 0.00 0.00 37.83 33.04 2wrk s LYS 65 CO 0.50 -0.04 0.00 1.28 0.10 0.00 0.00 175.35 177.19 2wrk n LEU 66 N -1.03 0.00 -1.50 2.77 4.32 -1.24 -4.92 117.00 115.40 2wrk n LEU 66 Ca 0.04 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.90 2wrk n LEU 66 Cb 0.54 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.34 2wrk n LEU 66 CO 0.44 0.00 -0.32 -1.84 -1.22 0.00 0.00 177.39 174.45 2wrk n GLU 67 N 0.00 0.00 0.00 3.23 0.28 -0.82 -2.48 120.64 120.85 2wrk n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2wrk n GLU 67 Cb 0.00 -0.36 0.00 0.00 1.43 0.00 0.00 31.44 32.51 2wrk n GLU 67 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wrk n GLY 68 N 1.03 0.98 2.76 -1.84 0.00 -1.26 -4.18 105.19 102.67 2wrk n GLY 68 Ca 0.02 0.47 -0.37 0.00 0.00 0.00 0.00 46.02 46.13 2wrk n GLY 68 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wrk n GLU 69 N 0.00 2.35 0.00 1.61 4.07 -1.11 -0.15 120.64 127.41 2wrk n GLU 69 Ca 0.00 -2.01 0.00 0.00 -0.06 0.00 0.00 57.16 55.09 2wrk n GLU 69 Cb 0.00 -2.88 0.00 0.00 -0.06 0.00 0.00 31.44 28.50 2wrk n GLU 69 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2wrk n LEU 70 N 5.70 0.00 -0.34 4.31 0.00 -1.03 -3.71 117.00 121.93 2wrk n LEU 70 Ca 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.54 2wrk n LEU 70 Cb 0.31 0.00 0.04 0.00 0.00 0.00 0.00 43.42 43.77 2wrk n LEU 70 CO 0.89 0.00 0.52 -1.14 0.00 0.00 0.00 177.39 177.67 2wrk n ARG 71 N 0.00 -0.20 0.05 1.96 3.00 -0.90 0.98 116.66 121.55 2wrk n ARG 71 Ca 0.00 1.37 -0.13 0.00 -0.00 0.00 0.00 57.85 59.09 2wrk n ARG 71 Cb 0.00 -2.03 -0.09 0.00 0.00 0.00 0.00 32.46 30.34 2wrk n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wrk h ALA 72 N 1.25 -0.13 -0.97 5.13 0.00 -0.91 -3.05 119.26 120.59 2wrk h ALA 72 Ca 0.31 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 55.22 2wrk h ALA 72 Cb 0.54 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.21 2wrk h ALA 72 CO -0.88 -0.41 -0.31 -1.91 0.00 0.00 0.00 179.25 175.74 2wrk n GLU 73 N -4.99 -0.16 -0.24 0.00 2.13 0.28 0.16 120.64 117.81 2wrk n GLU 73 Ca -0.08 1.50 -0.09 0.00 0.66 0.00 0.00 57.16 59.14 2wrk n GLU 73 Cb 0.21 -2.23 -0.05 0.00 0.27 0.00 0.00 31.44 29.64 2wrk n GLU 73 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2wrk h VAL 74 N 0.00 0.05 -0.22 6.31 2.07 0.26 0.35 116.25 125.06 2wrk h VAL 74 Ca 0.40 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.97 2wrk h VAL 74 Cb 0.64 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 2wrk h VAL 74 CO -0.98 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 176.48 2wrk h ALA 75 N 0.56 0.03 -0.96 1.67 0.00 0.16 0.52 119.26 121.24 2wrk h ALA 75 Ca 0.17 0.08 0.28 0.00 0.00 0.00 0.00 54.91 55.44 2wrk h ALA 75 Cb 0.55 0.31 -0.14 0.00 0.00 0.00 0.00 17.79 18.51 2wrk h ALA 75 CO -0.73 -0.56 0.46 0.00 0.00 0.00 0.00 179.25 178.42 2wrk h ALA 76 N 1.04 1.68 0.41 0.00 0.00 0.26 0.40 119.26 123.04 2wrk h ALA 76 Ca 0.12 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 2wrk h ALA 76 Cb 0.31 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2wrk h ALA 76 CO -0.30 -0.48 -0.24 -0.91 0.00 0.00 0.00 179.25 177.33 2wrk h ASN 77 N 0.33 -0.60 -1.20 0.00 2.35 0.16 -1.86 115.58 114.76 2wrk h ASN 77 Ca 0.65 0.03 0.44 0.00 -0.55 0.00 0.00 56.30 56.87 2wrk h ASN 77 Cb 1.39 0.17 -0.15 0.00 0.05 0.00 0.00 38.32 39.77 2wrk h ASN 77 CO -0.60 -0.37 0.73 0.40 -1.65 0.00 0.00 177.43 175.94 2wrk h ILE 78 N -0.60 0.04 0.00 2.81 2.04 0.63 3.11 117.51 125.55 2wrk h ILE 78 Ca -0.05 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 2wrk h ILE 78 Cb 0.48 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 2wrk h ILE 78 CO 0.06 0.01 -0.29 0.11 0.00 0.00 0.00 178.15 178.04 2wrk h LYS 79 N 0.04 0.00 0.00 2.37 1.57 0.34 0.08 116.57 120.97 2wrk h LYS 79 Ca 0.85 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.56 2wrk h LYS 79 Cb 2.49 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.79 2wrk h LYS 79 CO -0.59 0.29 -0.33 -0.09 -0.57 0.00 0.00 179.45 178.17 2wrk h ARG 80 N 0.00 0.00 0.00 3.15 2.43 0.64 0.11 114.38 120.71 2wrk h ARG 80 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wrk h ARG 80 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2wrk h ARG 80 CO 0.04 0.33 0.00 1.28 -1.51 0.00 0.00 179.97 180.10 2wrk n LEU 81 N -4.08 0.00 -1.51 3.80 7.99 -0.04 -1.42 117.00 121.75 2wrk n LEU 81 Ca -0.02 0.38 0.04 0.00 -0.01 0.00 0.00 56.01 56.40 2wrk n LEU 81 Cb 0.38 -0.38 0.32 0.00 -0.11 0.00 0.00 43.42 43.63 2wrk n LEU 81 CO 0.38 -0.04 0.84 0.23 -1.51 0.00 0.00 177.39 177.29 2wrk n MET 82 N -1.38 3.77 0.00 3.23 2.81 0.37 -3.61 117.12 122.31 2wrk n MET 82 Ca 0.10 -3.04 0.00 0.00 -1.81 0.00 0.00 57.70 52.95 2wrk n MET 82 Cb 0.25 -2.08 0.00 0.00 -0.71 0.00 0.00 33.22 30.68 2wrk n MET 82 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2wrk n ASP 83 N -0.06 0.00 0.02 7.83 3.85 -0.51 -4.66 116.55 123.04 2wrk n ASP 83 Ca 0.29 0.00 -0.05 0.00 -0.71 0.00 0.00 54.79 54.31 2wrk n ASP 83 Cb 1.12 0.00 0.14 0.00 -1.35 0.00 0.00 41.12 41.04 2wrk n ASP 83 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 2wrk h ILE 84 N 0.00 1.30 0.00 2.12 1.08 -1.88 -3.48 117.51 116.65 2wrk h ILE 84 Ca 0.00 -1.55 0.00 0.00 -0.39 0.00 0.00 64.86 62.92 2wrk h ILE 84 Cb 0.00 1.58 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 2wrk h ILE 84 CO 0.00 0.48 0.00 0.61 -0.69 0.00 0.00 178.15 178.55 2wrk n GLY 85 N -0.08 2.51 3.98 5.37 0.00 -1.26 -5.10 105.19 110.62 2wrk n GLY 85 Ca -0.02 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 2wrk n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrk h TYR 87 N 0.11 -0.57 -0.90 0.00 3.20 -1.99 0.30 116.97 117.11 2wrk h TYR 87 Ca -0.41 0.00 0.21 0.00 3.14 0.00 0.00 58.73 61.67 2wrk h TYR 87 Cb 1.29 0.22 -0.12 0.00 1.54 0.00 0.00 36.73 39.67 2wrk h TYR 87 CO 0.33 -0.32 0.44 0.00 -1.64 0.00 0.00 178.16 176.96 2wrk h ARG 88 N -0.46 0.47 -0.03 1.82 3.08 -1.92 -1.74 114.38 115.58 2wrk h ARG 88 Ca 0.00 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.03 2wrk h ARG 88 Cb 0.44 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2wrk h ARG 88 CO -0.06 0.31 -0.20 0.78 -1.07 0.00 0.00 179.97 179.74 2wrk h GLY 89 N 0.48 -1.37 0.00 0.04 0.00 -0.61 -3.22 103.07 98.40 2wrk h GLY 89 Ca 0.55 0.66 0.00 0.00 0.00 0.00 0.00 47.33 48.54 2wrk h GLY 89 CO -0.48 -0.44 0.00 1.04 0.00 0.00 0.00 176.54 176.65 2wrk n LEU 90 N -3.60 0.00 0.00 3.11 4.77 -0.05 -2.70 117.00 118.53 2wrk n LEU 90 Ca -0.02 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2wrk n LEU 90 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2wrk n LEU 90 CO 0.03 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.63 2wrk n ARG 91 N -0.28 0.00 0.03 3.23 5.12 -1.05 0.47 116.66 124.19 2wrk n ARG 91 Ca 0.00 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.81 2wrk n ARG 91 Cb 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.24 2wrk n ARG 91 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2wrk h HIS 92 N 0.00 -0.04 -0.82 -1.55 3.86 -1.52 0.52 115.15 115.60 2wrk h HIS 92 Ca 0.00 0.00 0.24 0.00 -1.16 0.00 0.00 60.37 59.45 2wrk h HIS 92 Cb 0.00 0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 2wrk h HIS 92 CO 0.00 -0.03 0.62 0.00 0.86 0.00 0.00 177.93 179.38 2wrk h ARG 93 N -0.02 0.00 0.00 2.45 3.08 1.07 0.58 114.38 121.55 2wrk h ARG 93 Ca 0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2wrk h ARG 93 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2wrk h ARG 93 CO -0.04 0.00 -1.29 0.54 -1.07 0.00 0.00 179.97 178.12 2wrk n ARG 94 N -4.17 0.62 -0.34 0.04 5.12 -0.58 -4.97 116.66 112.38 2wrk n ARG 94 Ca 0.17 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 56.15 2wrk n ARG 94 Cb 0.92 -1.75 0.00 0.00 -1.16 0.00 0.00 32.46 30.46 2wrk n ARG 94 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wrk n GLY 95 N 1.23 0.70 3.96 -0.13 0.00 0.20 -5.06 105.19 106.10 2wrk n GLY 95 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 2wrk n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wrk s LEU 96 N 0.00 2.98 0.27 0.99 1.43 -0.21 -4.32 118.68 119.82 2wrk s LEU 96 Ca 0.00 -0.00 -0.30 0.00 -1.03 0.00 0.00 54.13 52.80 2wrk s LEU 96 Cb 0.00 -2.52 -0.10 0.00 0.03 0.00 0.00 46.19 43.60 2wrk s LEU 96 CO 0.00 -1.72 1.43 -2.16 0.23 0.00 0.00 176.35 174.14 2wrk s PRO 97 N -5.16 4.26 -0.05 1.29 0.04 -1.26 -4.18 135.00 129.94 2wrk s PRO 97 Ca 0.63 2.32 -0.16 0.00 0.04 0.00 0.00 61.00 63.84 2wrk s PRO 97 Cb -0.08 -3.09 -0.31 0.00 0.04 0.00 0.00 34.50 31.06 2wrk s PRO 97 CO 0.44 -0.41 0.74 0.28 0.04 0.00 0.00 177.00 178.10 2wrk h VAL 98 N 3.43 1.15 -0.50 -0.36 2.07 -1.92 -3.43 116.25 116.68 2wrk h VAL 98 Ca -0.47 -2.52 -0.69 0.00 0.82 0.00 0.00 66.70 63.84 2wrk h VAL 98 Cb 1.22 2.89 -0.06 0.00 -1.52 0.00 0.00 31.29 33.82 2wrk h VAL 98 CO 0.75 0.77 2.59 0.54 0.02 0.00 0.00 177.57 182.25 2wrk n ARG 99 N -3.82 3.05 0.00 1.57 1.74 -1.26 -4.84 116.66 113.10 2wrk n ARG 99 Ca -0.21 -3.00 0.00 0.00 -0.77 0.00 0.00 57.85 53.87 2wrk n ARG 99 Cb 0.98 -3.41 0.00 0.00 -1.02 0.00 0.00 32.46 29.01 2wrk n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrk n GLY 100 N 4.86 0.00 0.00 -0.13 0.00 -1.26 -4.94 105.19 103.72 2wrk n GLY 100 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2wrk n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wrk n GLN 101 N 0.95 0.00 -3.58 1.61 6.02 -1.26 -5.12 117.38 116.00 2wrk n GLN 101 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 2wrk n GLN 101 Cb 0.00 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.17 2wrk n GLN 101 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2wrk s ARG 102 N 0.28 2.44 -0.43 -1.09 3.52 -1.26 -4.95 118.95 117.46 2wrk s ARG 102 Ca 0.00 -1.80 0.01 0.00 -0.13 0.00 0.00 55.73 53.80 2wrk s ARG 102 Cb 0.00 -3.89 0.43 0.00 -1.56 0.00 0.00 34.95 29.92 2wrk s ARG 102 CO 0.00 -1.18 1.87 0.25 -0.81 0.00 0.00 175.30 175.42 2wrk n THR 103 N 4.83 2.97 0.00 4.11 -2.24 -1.26 -3.54 114.28 119.15 2wrk n THR 103 Ca -0.07 -1.91 0.00 0.00 -2.27 0.00 0.00 64.05 59.80 2wrk n THR 103 Cb 0.41 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 2wrk n THR 103 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wrk n ARG 104 N -0.55 1.29 0.00 -0.78 0.63 -1.26 -4.83 116.66 111.17 2wrk n ARG 104 Ca 0.47 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 2wrk n ARG 104 Cb 1.01 -0.93 0.00 0.00 0.45 0.00 0.00 32.46 32.99 2wrk n ARG 104 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2wrk n THR 105 N -1.36 0.00 -0.46 5.15 -2.24 -1.25 -5.11 114.28 109.02 2wrk n THR 105 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2wrk n THR 105 Cb 0.07 1.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 2wrk n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wrk n ASN 106 N -0.07 2.19 0.00 3.42 3.02 -1.23 -4.96 115.26 117.62 2wrk n ASN 106 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2wrk n ASN 106 Cb 0.11 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 2wrk n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wrk n ALA 107 N -3.00 0.00 0.06 5.41 0.00 -1.26 -4.71 120.51 117.00 2wrk n ALA 107 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2wrk n ALA 107 Cb 0.00 -0.31 0.14 0.00 0.00 0.00 0.00 19.45 19.28 2wrk n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wrk n ARG 108 N -2.77 0.03 0.05 0.00 3.00 -1.26 -0.85 116.66 114.87 2wrk n ARG 108 Ca 0.00 0.42 -0.13 0.00 -0.01 0.00 0.00 57.85 58.12 2wrk n ARG 108 Cb 0.00 -1.81 -0.14 0.00 0.00 0.00 0.00 32.46 30.51 2wrk n ARG 108 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 2wrk h THR 109 N 0.00 1.28 0.00 0.55 2.02 -1.99 -3.34 112.91 111.42 2wrk h THR 109 Ca 0.00 -2.96 0.00 0.00 0.77 0.00 0.00 66.41 64.22 2wrk h THR 109 Cb 0.40 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 2wrk h THR 109 CO 0.00 0.82 -1.18 0.54 0.37 0.00 0.00 175.52 176.07 2wrk n ARG 110 N -3.38 0.16 -3.91 6.66 1.74 -0.03 -4.95 116.66 112.95 2wrk n ARG 110 Ca -0.12 -0.04 -0.22 0.00 -0.77 0.00 0.00 57.85 56.70 2wrk n ARG 110 Cb 1.02 -1.51 -0.05 0.00 -1.02 0.00 0.00 32.46 30.90 2wrk n ARG 110 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2wrk s LYS 111 N -3.12 2.60 -0.09 5.56 2.20 -0.52 -4.53 119.74 121.84 2wrk s LYS 111 Ca 0.05 -1.38 -0.30 0.00 -0.36 0.00 0.00 55.97 53.98 2wrk s LYS 111 Cb 0.16 -2.37 -0.02 0.00 -1.51 0.00 0.00 37.83 34.08 2wrk s LYS 111 CO 0.86 0.10 1.10 0.20 -0.36 0.00 0.00 175.35 177.25 2wrk s GLY 112 N -3.94 2.20 -0.22 5.54 0.00 -1.26 -4.74 107.32 104.89 2wrk s GLY 112 Ca 0.40 0.47 -0.18 0.00 0.00 0.00 0.00 44.72 45.41 2wrk s GLY 112 CO 0.25 2.07 0.91 -1.05 0.00 0.00 0.00 173.10 175.28 2wrk n PRO 113 N 5.19 0.00 0.00 2.90 -0.02 -1.26 -4.15 135.00 137.66 2wrk n PRO 113 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2wrk n PRO 113 Cb 0.47 -0.62 0.00 0.00 -0.02 0.00 0.00 33.50 33.33 2wrk n PRO 113 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wrk n ARG 114 N 3.14 0.00 -3.72 -0.52 1.74 -1.26 -4.90 116.66 111.15 2wrk n ARG 114 Ca 0.23 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.96 2wrk n ARG 114 Cb -0.01 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.34 2wrk n ARG 114 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2wrk s LYS 115 N 0.00 2.73 0.95 5.56 -2.85 -1.26 -5.08 119.74 119.79 2wrk s LYS 115 Ca 0.00 -2.79 -0.15 0.00 -1.00 0.00 0.00 55.97 52.02 2wrk s LYS 115 Cb 0.00 -3.76 -0.08 0.00 -2.06 0.00 0.00 37.83 31.93 2wrk s LYS 115 CO 0.00 -1.20 -0.28 2.41 0.10 0.00 0.00 175.35 176.38 2wrk n THR 116 N 3.06 0.09 -3.95 3.79 -1.04 -1.26 -5.00 114.28 109.97 2wrk n THR 116 Ca 0.12 -0.38 -0.20 0.00 -2.04 0.00 0.00 64.05 61.55 2wrk n THR 116 Cb 0.37 -0.26 -0.17 0.00 -1.82 0.00 0.00 70.33 68.46 2wrk n THR 116 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wrk s VAL 117 N -2.14 0.36 0.00 12.58 1.01 -1.26 -5.12 120.40 125.84 2wrk s VAL 117 Ca 0.48 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2wrk s VAL 117 Cb -0.21 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.71 2wrk s VAL 117 CO 0.75 0.21 0.00 0.00 0.00 0.00 0.00 175.10 176.07 2wrk n ALA 118 N 4.48 0.00 -0.01 5.51 0.00 -1.26 -4.68 120.51 124.55 2wrk n ALA 118 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 2wrk n ALA 118 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 2wrk n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrk n GLY 119 N 0.00 -0.24 4.16 0.00 0.00 -1.26 -4.97 105.19 102.89 2wrk n GLY 119 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2wrk n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wrk n LYS 120 N -2.84 0.00 -0.03 1.61 4.01 -1.26 -4.87 118.16 114.77 2wrk n LYS 120 Ca -0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 2wrk n LYS 120 Cb 0.06 -2.38 -0.00 0.00 -0.51 0.00 0.00 35.03 32.20 2wrk n LYS 120 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2wrk n LYS 121 N -1.79 -0.06 -3.61 1.97 4.01 -1.26 -5.01 118.16 112.42 2wrk n LYS 121 Ca 0.00 0.04 -0.02 0.00 -0.51 0.00 0.00 58.31 57.82 2wrk n LYS 121 Cb 0.00 -0.07 -0.01 0.00 -0.51 0.00 0.00 35.03 34.43 2wrk n LYS 121 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 2wrk s LYS 122 N -0.08 0.30 -0.33 1.97 0.00 -1.26 -5.11 119.74 115.23 2wrk s LYS 122 Ca 0.00 -0.14 -0.28 0.00 0.00 0.00 0.00 55.97 55.55 2wrk s LYS 122 Cb 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 37.83 37.93 2wrk s LYS 122 CO 0.00 -0.13 1.83 0.00 0.00 0.00 0.00 175.35 177.05 2wrk s ALA 123 N -2.36 2.84 0.00 0.59 0.00 -1.26 -4.97 121.76 116.60 2wrk s ALA 123 Ca 0.12 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2wrk s ALA 123 Cb 0.02 -4.02 0.00 0.00 0.00 0.00 0.00 23.12 19.11 2wrk s ALA 123 CO -0.04 -2.67 0.00 -2.30 0.00 0.00 0.00 175.76 170.75 2wrk n PRO 124 N 8.46 0.00 -2.81 0.00 -0.02 -1.26 -4.95 135.00 134.43 2wrk n PRO 124 Ca 0.23 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.62 2wrk n PRO 124 Cb 0.47 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.92 2wrk n PRO 124 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wrk n ARG 125 N 0.00 1.14 0.00 -0.52 5.12 -1.26 -5.29 116.66 115.85 2wrk n ARG 125 Ca 0.00 -1.15 0.00 0.00 -1.93 0.00 0.00 57.85 54.77 2wrk n ARG 125 Cb 0.00 0.49 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 2wrk n ARG 125 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06