#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrk n ARG 3 N 0.00 0.64 0.00 0.00 0.63 -1.26 -4.70 116.66 111.97 2wrk n ARG 3 Ca 0.00 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 2wrk n ARG 3 Cb 0.00 -1.76 0.00 0.00 0.45 0.00 0.00 32.46 31.15 2wrk n ARG 3 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wrk n ARG 4 N -3.03 0.00 -3.40 -0.14 1.74 -1.26 -5.01 116.66 105.55 2wrk n ARG 4 Ca -0.19 0.44 -0.22 0.00 -0.77 0.00 0.00 57.85 57.11 2wrk n ARG 4 Cb 1.06 -0.94 0.02 0.00 -1.02 0.00 0.00 32.46 31.58 2wrk n ARG 4 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wrk s ARG 5 N -0.88 2.39 -1.35 5.56 3.00 -1.26 -5.04 118.95 121.37 2wrk s ARG 5 Ca 0.00 -1.69 -0.09 0.00 0.00 0.00 0.00 55.73 53.94 2wrk s ARG 5 Cb 0.00 -2.43 0.11 0.00 0.00 0.00 0.00 34.95 32.63 2wrk s ARG 5 CO 0.00 -0.59 2.15 -2.13 0.00 0.00 0.00 175.30 174.73 2wrk n ARG 6 N -1.91 3.74 0.00 3.54 0.63 -1.26 -4.90 116.66 116.49 2wrk n ARG 6 Ca 0.07 -3.25 0.00 0.00 -0.92 0.00 0.00 57.85 53.75 2wrk n ARG 6 Cb 0.62 -2.90 0.00 0.00 0.45 0.00 0.00 32.46 30.63 2wrk n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wrk n ALA 7 N 3.67 0.00 0.00 5.13 0.00 -1.26 -4.77 120.51 123.28 2wrk n ALA 7 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2wrk n ALA 7 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2wrk n ALA 7 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wrk n GLU 8 N 14.00 0.00 -1.35 0.00 4.07 -1.26 -5.10 120.64 131.01 2wrk n GLU 8 Ca 0.00 0.00 -0.57 0.00 -0.06 0.00 0.00 57.16 56.53 2wrk n GLU 8 Cb 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.28 2wrk n GLU 8 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2wrk n VAL 9 N 0.00 0.08 -0.40 6.31 0.31 -1.26 -4.87 118.33 118.50 2wrk n VAL 9 Ca 0.00 -0.10 -0.27 0.00 -0.01 0.00 0.00 64.34 63.96 2wrk n VAL 9 Cb 0.00 -0.94 0.24 0.00 -0.91 0.00 0.00 33.84 32.22 2wrk n VAL 9 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wrk n ARG 10 N 7.62 -3.41 -3.73 5.55 0.63 -1.26 -5.01 116.66 117.05 2wrk n ARG 10 Ca 0.49 -1.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.13 2wrk n ARG 10 Cb 0.06 -1.82 -0.16 0.00 0.45 0.00 0.00 32.46 30.99 2wrk n ARG 10 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2wrk s GLN 11 N -4.33 0.67 0.66 -0.14 2.00 -1.26 -5.13 119.66 112.13 2wrk s GLN 11 Ca 0.58 -0.60 -0.17 0.00 -2.00 0.00 0.00 55.36 53.18 2wrk s GLN 11 Cb -0.13 -2.03 0.00 0.00 0.80 0.00 0.00 33.01 31.65 2wrk s GLN 11 CO 0.53 -0.74 1.20 -0.51 -0.50 0.00 0.00 175.29 175.27 2wrk s LEU 12 N 1.81 3.48 -0.21 3.68 1.43 -1.26 -5.02 118.68 122.59 2wrk s LEU 12 Ca 0.02 2.34 -0.08 0.00 -1.03 0.00 0.00 54.13 55.38 2wrk s LEU 12 Cb -0.17 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.42 2wrk s LEU 12 CO -0.14 -1.90 0.09 -1.58 0.23 0.00 0.00 176.35 173.05 2wrk s GLN 13 N -3.67 3.92 0.41 1.70 0.74 -1.26 -4.95 119.66 116.56 2wrk s GLN 13 Ca 0.75 -0.36 -0.12 0.00 0.05 0.00 0.00 55.36 55.69 2wrk s GLN 13 Cb -0.29 -3.31 -0.10 0.00 1.10 0.00 0.00 33.01 30.41 2wrk s GLN 13 CO 0.39 0.12 -0.19 -2.30 -0.55 0.00 0.00 175.29 172.77 2wrk n PRO 14 N 4.01 0.00 -1.74 1.67 -0.02 -1.26 -4.83 135.00 132.83 2wrk n PRO 14 Ca -0.16 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 60.95 2wrk n PRO 14 Cb 0.52 -0.66 0.07 0.00 -0.02 0.00 0.00 33.50 33.41 2wrk n PRO 14 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2wrk s ASP 15 N -0.66 4.59 -0.24 2.55 3.68 -0.89 -4.75 116.67 120.95 2wrk s ASP 15 Ca 0.35 2.61 0.09 0.00 2.13 0.00 0.00 52.55 57.73 2wrk s ASP 15 Cb -0.28 -2.62 0.63 0.00 -1.45 0.00 0.00 42.92 39.21 2wrk s ASP 15 CO 0.46 -2.01 1.57 0.18 0.13 0.00 0.00 175.17 175.50 2wrk n LEU 16 N -1.93 5.14 0.00 -1.34 4.77 -1.26 -1.88 117.00 120.51 2wrk n LEU 16 Ca 0.16 -2.65 0.00 0.00 -0.03 0.00 0.00 56.01 53.49 2wrk n LEU 16 Cb 0.48 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2wrk n LEU 16 CO 0.47 0.66 0.00 0.52 -1.33 0.00 0.00 177.39 177.70 2wrk n VAL 17 N 0.16 0.00 0.08 4.08 0.31 -1.26 -4.88 118.33 116.82 2wrk n VAL 17 Ca 0.29 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.63 2wrk n VAL 17 Cb 1.13 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 34.06 2wrk n VAL 17 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2wrk n TYR 18 N -1.36 0.00 -3.62 3.52 4.02 -1.26 -5.00 117.16 113.46 2wrk n TYR 18 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.66 2wrk n TYR 18 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.39 2wrk n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wrk n GLY 19 N 0.77 -0.49 3.21 2.72 0.00 -0.79 -4.89 105.19 105.73 2wrk n GLY 19 Ca 0.01 0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 2wrk n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wrk s ASP 20 N -3.60 3.58 0.16 1.61 -1.08 -1.26 -4.51 116.67 111.57 2wrk s ASP 20 Ca 0.44 -0.54 -0.16 0.00 -0.52 0.00 0.00 52.55 51.78 2wrk s ASP 20 Cb -0.20 -1.57 0.04 0.00 -1.46 0.00 0.00 42.92 39.73 2wrk s ASP 20 CO 0.75 0.01 1.80 -0.37 0.52 0.00 0.00 175.17 177.89 2wrk h VAL 21 N 5.82 1.06 -0.05 1.11 -1.51 -1.90 -2.10 116.25 118.67 2wrk h VAL 21 Ca -0.42 -0.18 0.01 0.00 -1.23 0.00 0.00 66.70 64.89 2wrk h VAL 21 Cb 1.16 0.50 -0.00 0.00 -2.13 0.00 0.00 31.29 30.82 2wrk h VAL 21 CO 0.61 0.09 0.04 0.25 -1.23 0.00 0.00 177.57 177.33 2wrk h LEU 22 N 0.51 0.00 -0.11 4.19 6.46 -1.97 -2.32 115.31 122.08 2wrk h LEU 22 Ca 0.16 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.85 2wrk h LEU 22 Cb -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.92 2wrk h LEU 22 CO -0.07 0.00 -0.23 0.58 -0.62 0.00 0.00 178.44 178.11 2wrk h VAL 23 N 0.00 1.39 -0.87 1.05 2.07 -1.82 -2.53 116.25 115.53 2wrk h VAL 23 Ca 0.02 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 2wrk h VAL 23 Cb 0.09 2.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 2wrk h VAL 23 CO -0.00 0.44 0.49 0.71 0.02 0.00 0.00 177.57 179.23 2wrk h THR 24 N -0.09 1.25 -0.10 2.57 1.35 -1.34 -0.41 112.91 116.14 2wrk h THR 24 Ca 0.00 -0.59 0.04 0.00 -0.55 0.00 0.00 66.41 65.31 2wrk h THR 24 Cb 0.82 0.06 -0.06 0.00 -1.73 0.00 0.00 68.15 67.23 2wrk h THR 24 CO 0.05 0.27 -0.33 0.00 -0.25 0.00 0.00 175.52 175.26 2wrk h ALA 25 N 1.33 -0.42 -0.49 6.62 0.00 -1.39 0.13 119.26 125.04 2wrk h ALA 25 Ca 0.31 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.26 2wrk h ALA 25 Cb 0.00 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2wrk h ALA 25 CO -0.05 -0.82 0.27 0.35 0.00 0.00 0.00 179.25 179.00 2wrk h PHE 26 N -0.43 0.51 -0.03 0.00 3.57 -1.10 -0.75 116.94 118.72 2wrk h PHE 26 Ca 0.09 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.61 2wrk h PHE 26 Cb 0.56 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 2wrk h PHE 26 CO -0.40 0.27 0.04 0.82 -2.23 0.00 0.00 178.31 176.82 2wrk h ILE 27 N 0.54 0.39 -0.06 1.41 2.04 0.28 -1.38 117.51 120.73 2wrk h ILE 27 Ca 0.21 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.04 2wrk h ILE 27 Cb 0.07 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2wrk h ILE 27 CO -0.12 0.00 -0.07 0.78 0.00 0.00 0.00 178.15 178.74 2wrk h ASN 28 N 0.00 0.16 -0.03 1.72 2.35 0.75 -2.58 115.58 117.96 2wrk h ASN 28 Ca 0.01 -0.50 0.01 0.00 -0.55 0.00 0.00 56.30 55.27 2wrk h ASN 28 Cb 0.10 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 2wrk h ASN 28 CO -0.00 0.63 0.14 0.11 -1.65 0.00 0.00 177.43 176.66 2wrk h LYS 29 N -0.30 0.00 0.00 0.81 1.79 -1.10 0.63 116.57 118.39 2wrk h LYS 29 Ca 0.01 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.31 2wrk h LYS 29 Cb 0.59 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.21 2wrk h LYS 29 CO 0.02 0.00 -1.03 0.82 -1.08 0.00 0.00 179.45 178.17 2wrk h ILE 30 N 0.00 0.93 -4.06 1.86 1.08 -1.31 -3.47 117.51 112.53 2wrk h ILE 30 Ca 0.01 -2.47 -0.53 0.00 -0.39 0.00 0.00 64.86 61.48 2wrk h ILE 30 Cb 0.30 2.39 0.12 0.00 -3.07 0.00 0.00 36.82 36.56 2wrk h ILE 30 CO -0.00 0.53 0.52 -0.32 -0.69 0.00 0.00 178.15 178.20 2wrk s MET 31 N -2.85 3.14 -0.05 2.37 1.75 0.22 -4.85 119.30 119.02 2wrk s MET 31 Ca 0.00 1.98 -0.05 0.00 -1.25 0.00 0.00 55.69 56.37 2wrk s MET 31 Cb 0.08 -2.12 0.01 0.00 2.84 0.00 0.00 34.83 35.65 2wrk s MET 31 CO 0.79 -1.12 0.15 1.03 -0.65 0.00 0.00 175.02 175.22 2wrk s ARG 32 N -3.07 0.19 -0.88 4.11 0.52 -1.26 -4.88 118.95 113.68 2wrk s ARG 32 Ca 0.73 0.17 0.00 0.00 -0.52 0.00 0.00 55.73 56.11 2wrk s ARG 32 Cb -0.34 0.09 0.00 0.00 0.52 0.00 0.00 34.95 35.22 2wrk s ARG 32 CO 0.39 -0.03 0.00 -0.25 0.02 0.00 0.00 175.30 175.43 2wrk n ASP 33 N 2.90 -2.98 0.00 0.23 8.00 -1.26 -1.34 116.55 122.09 2wrk n ASP 33 Ca -0.13 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2wrk n ASP 33 Cb 0.59 -2.68 0.00 0.00 -0.02 0.00 0.00 41.12 39.01 2wrk n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wrk n GLY 34 N -0.54 0.49 1.93 0.44 0.00 -1.26 -4.92 105.19 101.33 2wrk n GLY 34 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 2wrk n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wrk n LYS 35 N -2.29 1.79 -0.50 1.61 5.02 -0.45 -4.66 118.16 118.69 2wrk n LYS 35 Ca 0.00 -0.82 0.43 0.00 -2.02 0.00 0.00 58.31 55.91 2wrk n LYS 35 Cb 0.07 -1.83 0.76 0.00 -0.02 0.00 0.00 35.03 34.01 2wrk n LYS 35 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2wrk h LYS 36 N 2.74 0.00 0.52 1.97 3.64 -1.91 0.86 116.57 124.38 2wrk h LYS 36 Ca 0.15 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2wrk h LYS 36 Cb 1.40 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.23 2wrk h LYS 36 CO 0.20 0.00 -0.25 -0.97 -2.27 0.00 0.00 179.45 176.16 2wrk h ASN 37 N 0.00 -0.59 -0.91 4.20 -0.73 -1.99 -1.82 115.58 113.74 2wrk h ASN 37 Ca 0.74 -0.05 0.24 0.00 1.87 0.00 0.00 56.30 59.10 2wrk h ASN 37 Cb 3.06 0.15 -0.14 0.00 0.27 0.00 0.00 38.32 41.67 2wrk h ASN 37 CO -0.01 -0.19 0.35 0.25 -0.37 0.00 0.00 177.43 177.46 2wrk h LEU 38 N -1.08 0.20 -0.59 0.34 5.85 -1.23 0.37 115.31 119.17 2wrk h LEU 38 Ca -0.07 0.18 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 2wrk h LEU 38 Cb 0.60 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 2wrk h LEU 38 CO 0.12 -0.10 -0.26 0.00 -0.34 0.00 0.00 178.44 177.86 2wrk h ALA 39 N 1.77 0.78 -0.48 1.25 0.00 -1.41 -2.46 119.26 118.71 2wrk h ALA 39 Ca 0.59 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2wrk h ALA 39 Cb 1.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2wrk h ALA 39 CO -0.60 0.65 0.31 0.00 0.00 0.00 0.00 179.25 179.61 2wrk h ALA 40 N 0.98 0.61 -3.00 0.00 0.00 -0.08 -2.69 119.26 115.08 2wrk h ALA 40 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wrk h ALA 40 Cb 0.80 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2wrk h ALA 40 CO 0.07 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.90 2wrk n ARG 41 N -4.76 0.00 -0.18 0.00 1.74 -0.57 -1.87 116.66 111.02 2wrk n ARG 41 Ca 0.02 0.33 -0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2wrk n ARG 41 Cb 0.03 -0.99 0.02 0.00 -1.02 0.00 0.00 32.46 30.50 2wrk n ARG 41 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2wrk n ILE 42 N -0.81 -0.25 -0.13 0.55 5.41 -0.95 0.13 119.36 123.31 2wrk n ILE 42 Ca 0.00 1.12 -0.04 0.00 1.00 0.00 0.00 62.75 64.83 2wrk n ILE 42 Cb 0.00 -1.48 0.03 0.00 -0.71 0.00 0.00 39.64 37.47 2wrk n ILE 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 2wrk h PHE 43 N 0.00 -0.13 -0.11 1.39 3.57 -1.25 -1.30 116.94 119.11 2wrk h PHE 43 Ca 0.17 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 2wrk h PHE 43 Cb 0.29 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 2wrk h PHE 43 CO -0.42 -0.14 0.05 1.88 -2.23 0.00 0.00 178.31 177.45 2wrk h TYR 44 N 0.05 0.15 -0.72 0.41 0.99 0.18 -1.96 116.97 116.08 2wrk h TYR 44 Ca 0.21 -0.01 0.20 0.00 2.00 0.00 0.00 58.73 61.12 2wrk h TYR 44 Cb 0.31 -0.05 -0.03 0.00 1.00 0.00 0.00 36.73 37.96 2wrk h TYR 44 CO -0.33 0.22 0.51 -0.44 -0.00 0.00 0.00 178.16 178.12 2wrk h ASP 45 N 0.04 0.07 0.28 3.88 3.45 -0.73 0.62 116.42 124.04 2wrk h ASP 45 Ca 0.04 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.49 2wrk h ASP 45 Cb 0.12 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 2wrk h ASP 45 CO -0.00 0.03 -0.14 0.00 -1.57 0.00 0.00 179.24 177.56 2wrk h ALA 46 N 1.65 -0.38 -1.11 3.45 0.00 -0.54 -1.48 119.26 120.85 2wrk h ALA 46 Ca 0.34 -0.19 0.34 0.00 0.00 0.00 0.00 54.91 55.40 2wrk h ALA 46 Cb 1.27 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 19.08 2wrk h ALA 46 CO -0.03 -0.50 0.69 0.00 0.00 0.00 0.00 179.25 179.41 2wrk h LYS 48 N 0.28 0.23 0.00 0.00 1.57 -1.22 -1.78 116.57 115.64 2wrk h LYS 48 Ca 0.71 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 2wrk h LYS 48 Cb 1.88 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.19 2wrk h LYS 48 CO -0.45 0.62 0.00 -0.89 -0.57 0.00 0.00 179.45 178.17 2wrk n ILE 49 N -4.68 0.81 0.03 1.86 2.08 0.24 -0.18 119.36 119.52 2wrk n ILE 49 Ca -0.07 0.20 0.02 0.00 0.56 0.00 0.00 62.75 63.46 2wrk n ILE 49 Cb 0.30 -1.02 -0.09 0.00 -0.75 0.00 0.00 39.64 38.09 2wrk n ILE 49 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 2wrk n ILE 50 N -1.32 1.00 0.08 1.39 2.08 0.11 -2.68 119.36 120.02 2wrk n ILE 50 Ca 0.05 -0.67 -0.10 0.00 0.56 0.00 0.00 62.75 62.59 2wrk n ILE 50 Cb 0.09 -0.58 -0.01 0.00 -0.75 0.00 0.00 39.64 38.39 2wrk n ILE 50 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 2wrk h GLN 51 N 0.00 0.28 0.00 0.38 1.08 0.23 -2.94 115.11 114.15 2wrk h GLN 51 Ca -0.16 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 2wrk h GLN 51 Cb 1.50 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 29.01 2wrk h GLN 51 CO 0.03 1.00 0.00 0.39 -0.95 0.00 0.00 178.83 179.30 2wrk n GLU 52 N -3.71 0.00 -0.18 1.46 -0.58 -0.33 -4.26 120.64 113.05 2wrk n GLU 52 Ca -0.05 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.65 2wrk n GLU 52 Cb 0.80 -0.09 -0.04 0.00 -0.57 0.00 0.00 31.44 31.54 2wrk n GLU 52 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wrk n LYS 53 N 0.00 -0.19 -4.06 3.49 4.76 -1.09 -4.49 118.16 116.58 2wrk n LYS 53 Ca 0.00 0.66 -0.24 0.00 -2.87 0.00 0.00 58.31 55.87 2wrk n LYS 53 Cb 0.00 -0.98 -0.07 0.00 -1.84 0.00 0.00 35.03 32.15 2wrk n LYS 53 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2wrk s THR 54 N -5.13 2.63 -0.99 -0.18 -1.32 -1.11 -5.04 115.64 104.50 2wrk s THR 54 Ca -0.05 -1.67 0.23 0.00 -1.21 0.00 0.00 61.69 58.98 2wrk s THR 54 Cb 0.05 -2.98 -0.13 0.00 -1.51 0.00 0.00 72.50 67.93 2wrk s THR 54 CO 0.27 -0.08 1.11 0.61 -2.21 0.00 0.00 174.62 174.32 2wrk n GLY 55 N -1.22 -1.10 3.64 6.08 0.00 -1.26 -3.85 105.19 107.48 2wrk n GLY 55 Ca -0.01 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 2wrk n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wrk n GLN 56 N -1.51 0.22 -2.45 1.61 1.13 -1.26 -4.93 117.38 110.19 2wrk n GLN 56 Ca 0.05 0.14 -0.41 0.00 -1.94 0.00 0.00 57.00 54.83 2wrk n GLN 56 Cb 0.33 -2.31 -0.03 0.00 0.11 0.00 0.00 30.24 28.34 2wrk n GLN 56 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2wrk s GLU 57 N -3.83 4.51 0.16 -1.09 8.01 -1.26 -4.56 118.70 120.63 2wrk s GLU 57 Ca 0.72 1.76 -0.31 0.00 0.01 0.00 0.00 54.97 57.15 2wrk s GLU 57 Cb -0.30 -3.30 -0.06 0.00 -4.31 0.00 0.00 34.13 26.16 2wrk s GLU 57 CO 0.52 -0.10 1.54 -1.00 0.01 0.00 0.00 175.26 176.24 2wrk h PRO 58 N 5.86 -0.08 -0.37 0.39 0.13 -1.89 -2.60 132.00 133.45 2wrk h PRO 58 Ca -0.43 0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.74 2wrk h PRO 58 Cb 1.21 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 2wrk h PRO 58 CO 0.76 -0.05 -0.32 1.25 -0.23 0.00 0.00 178.00 179.42 2wrk h LEU 59 N -0.08 -1.11 -0.91 1.56 5.85 -1.94 -1.94 115.31 116.74 2wrk h LEU 59 Ca 0.15 0.16 0.29 0.00 0.84 0.00 0.00 57.88 59.32 2wrk h LEU 59 Cb 0.46 0.47 -0.17 0.00 0.37 0.00 0.00 40.66 41.79 2wrk h LEU 59 CO -0.87 -0.18 0.14 1.17 -0.34 0.00 0.00 178.44 178.35 2wrk n LYS 60 N -4.22 -0.07 0.34 1.25 3.00 -0.99 -0.63 118.16 116.85 2wrk n LYS 60 Ca -0.01 1.34 -0.14 0.00 -0.00 0.00 0.00 58.31 59.51 2wrk n LYS 60 Cb 0.17 -2.20 -0.07 0.00 0.00 0.00 0.00 35.03 32.94 2wrk n LYS 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2wrk h VAL 61 N 0.00 0.00 0.00 3.15 2.07 -1.29 -2.02 116.25 118.16 2wrk h VAL 61 Ca 0.61 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.92 2wrk h VAL 61 Cb 1.38 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2wrk h VAL 61 CO -0.82 0.00 0.00 0.33 0.02 0.00 0.00 177.57 177.10 2wrk n PHE 62 N -4.99 0.00 -0.33 1.57 7.35 0.20 0.19 117.46 121.45 2wrk n PHE 62 Ca -0.11 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.65 2wrk n PHE 62 Cb 0.35 -0.10 0.16 0.00 0.35 0.00 0.00 39.48 40.24 2wrk n PHE 62 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 2wrk n LYS 63 N -1.37 -0.08 0.18 -4.13 3.00 -0.68 0.41 118.16 115.50 2wrk n LYS 63 Ca 0.00 1.44 -0.14 0.00 -0.00 0.00 0.00 58.31 59.61 2wrk n LYS 63 Cb 0.00 -2.17 -0.07 0.00 0.00 0.00 0.00 35.03 32.79 2wrk n LYS 63 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 2wrk h GLN 64 N 0.00 -0.48 0.34 1.64 5.75 0.33 -2.55 115.11 120.14 2wrk h GLN 64 Ca 0.47 0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.99 2wrk h GLN 64 Cb 0.77 0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.40 2wrk h GLN 64 CO -0.94 -0.32 -0.43 0.00 -2.65 0.00 0.00 178.83 174.49 2wrk h ALA 65 N 0.18 -1.05 -0.67 3.38 0.00 0.71 -1.51 119.26 120.31 2wrk h ALA 65 Ca -0.02 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 54.94 2wrk h ALA 65 Cb 0.43 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2wrk h ALA 65 CO -0.01 -1.10 0.86 0.28 0.00 0.00 0.00 179.25 179.28 2wrk h VAL 66 N -0.79 0.14 0.12 0.00 2.07 -0.60 -0.06 116.25 117.13 2wrk h VAL 66 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2wrk h VAL 66 Cb 0.71 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2wrk h VAL 66 CO -0.10 0.00 -0.06 -0.08 0.02 0.00 0.00 177.57 177.35 2wrk h GLU 67 N 0.00 -0.15 0.00 1.57 4.57 -0.83 -3.21 114.58 116.53 2wrk h GLU 67 Ca 0.32 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 2wrk h GLU 67 Cb 2.03 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.65 2wrk h GLU 67 CO -0.00 0.26 0.00 0.09 -1.18 0.00 0.00 179.01 178.17 2wrk n ASN 68 N -4.96 0.00 -0.01 1.04 3.02 -0.04 -2.23 115.26 112.09 2wrk n ASN 68 Ca -0.09 -0.27 0.11 0.00 -0.03 0.00 0.00 54.58 54.31 2wrk n ASN 68 Cb 0.25 -0.12 -0.17 0.00 -0.61 0.00 0.00 39.78 39.13 2wrk n ASN 68 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2wrk n VAL 69 N -1.12 0.01 -1.70 2.41 0.31 -1.20 -4.77 118.33 112.27 2wrk n VAL 69 Ca 0.10 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.51 2wrk n VAL 69 Cb 0.08 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.99 2wrk n VAL 69 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wrk n LYS 70 N -2.26 2.71 -2.89 5.55 5.02 -0.95 -4.60 118.16 120.74 2wrk n LYS 70 Ca -0.04 0.98 -0.38 0.00 -2.02 0.00 0.00 58.31 56.85 2wrk n LYS 70 Cb 0.57 -2.83 -0.06 0.00 -0.02 0.00 0.00 35.03 32.68 2wrk n LYS 70 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2wrk s PRO 71 N 1.68 4.55 -0.03 1.97 0.04 -1.26 -5.00 135.00 136.95 2wrk s PRO 71 Ca 0.78 1.22 -0.19 0.00 0.04 0.00 0.00 61.00 62.85 2wrk s PRO 71 Cb -0.52 -2.99 -0.13 0.00 0.04 0.00 0.00 34.50 30.91 2wrk s PRO 71 CO 0.35 0.40 0.82 -0.09 0.04 0.00 0.00 177.00 178.52 2wrk h ARG 72 N 3.61 -0.41 -4.28 4.56 9.65 -1.92 -3.45 114.38 122.15 2wrk h ARG 72 Ca -0.47 0.03 -0.15 0.00 -1.10 0.00 0.00 59.98 58.29 2wrk h ARG 72 Cb 1.20 0.09 -0.15 0.00 -1.39 0.00 0.00 29.97 29.72 2wrk h ARG 72 CO 0.66 -0.11 -0.60 -1.64 2.80 0.00 0.00 179.97 181.08 2wrk s MET 73 N -3.60 0.87 0.17 0.20 -1.94 -1.26 -3.13 119.30 110.61 2wrk s MET 73 Ca -0.11 -1.32 0.03 0.00 -1.71 0.00 0.00 55.69 52.58 2wrk s MET 73 Cb 0.01 0.26 -0.01 0.00 2.01 0.00 0.00 34.83 37.10 2wrk s MET 73 CO 0.38 -0.24 0.10 -0.85 -0.01 0.00 0.00 175.02 174.39 2wrk n GLU 74 N -0.06 0.50 -4.61 2.03 0.28 -1.23 -4.40 120.64 113.16 2wrk n GLU 74 Ca -0.08 -1.55 -0.33 0.00 -0.16 0.00 0.00 57.16 55.03 2wrk n GLU 74 Cb 0.63 1.04 -0.14 0.00 1.43 0.00 0.00 31.44 34.39 2wrk n GLU 74 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2wrk s VAL 75 N -2.42 3.01 0.02 3.84 1.01 -1.26 -1.16 120.40 123.43 2wrk s VAL 75 Ca 0.13 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.50 2wrk s VAL 75 Cb 0.01 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 2wrk s VAL 75 CO 0.10 0.51 -0.14 -0.13 0.00 0.00 0.00 175.10 175.44 2wrk s ARG 76 N 0.59 1.02 0.65 2.72 0.52 0.12 -4.93 118.95 119.65 2wrk s ARG 76 Ca -0.07 -0.63 -0.15 0.00 -0.52 0.00 0.00 55.73 54.35 2wrk s ARG 76 Cb -0.16 -1.01 -0.00 0.00 0.52 0.00 0.00 34.95 34.30 2wrk s ARG 76 CO 0.03 0.26 1.10 -1.12 0.02 0.00 0.00 175.30 175.60 2wrk s SER 77 N -0.76 5.17 0.04 0.23 0.01 -1.26 0.07 113.70 117.20 2wrk s SER 77 Ca 0.03 1.98 0.03 0.00 1.31 0.00 0.00 55.95 59.30 2wrk s SER 77 Cb -0.07 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 2wrk s SER 77 CO 0.00 -1.59 -0.09 -0.60 0.41 0.00 0.00 173.24 171.37 2wrk s ARG 78 N -4.11 0.63 0.13 12.44 6.06 -0.47 -4.80 118.95 128.83 2wrk s ARG 78 Ca 0.66 -0.68 -0.20 0.00 -2.50 0.00 0.00 55.73 53.02 2wrk s ARG 78 Cb -0.20 -0.51 -0.07 0.00 0.06 0.00 0.00 34.95 34.23 2wrk s ARG 78 CO 0.41 0.12 0.64 0.50 -2.50 0.00 0.00 175.30 174.46 2wrk s ARG 79 N -1.24 4.26 0.26 5.12 3.00 -1.26 -3.94 118.95 125.15 2wrk s ARG 79 Ca -0.04 0.82 0.00 0.00 -1.00 0.00 0.00 55.73 55.50 2wrk s ARG 79 Cb -0.08 -3.14 0.00 0.00 0.00 0.00 0.00 34.95 31.73 2wrk s ARG 79 CO 0.01 0.56 0.00 1.33 0.00 0.00 0.00 175.30 177.20 2wrk n VAL 80 N 1.39 0.00 -1.00 7.11 0.24 -1.26 -5.07 118.33 119.73 2wrk n VAL 80 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 2wrk n VAL 80 Cb 0.50 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 2wrk n VAL 80 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wrk n GLY 81 N -1.14 -0.70 3.20 7.63 0.00 -1.26 -4.99 105.19 107.93 2wrk n GLY 81 Ca 0.00 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 2wrk n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrk n GLY 82 N 0.00 1.64 3.63 -0.02 0.00 -1.26 -4.64 105.19 104.54 2wrk n GLY 82 Ca 0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 46.02 45.09 2wrk n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrk s ALA 83 N 5.66 -2.05 -0.90 4.61 0.00 -1.26 -5.10 121.76 122.73 2wrk s ALA 83 Ca 0.52 2.35 -0.18 0.00 0.00 0.00 0.00 51.96 54.64 2wrk s ALA 83 Cb 0.12 -1.63 0.14 0.00 0.00 0.00 0.00 23.12 21.74 2wrk s ALA 83 CO 0.18 -0.62 1.07 -0.80 0.00 0.00 0.00 175.76 175.60 2wrk s ASN 84 N 2.13 6.61 -0.49 0.00 0.02 -1.26 -4.61 114.94 117.34 2wrk s ASN 84 Ca -0.08 -2.04 -0.21 0.00 -1.02 0.00 0.00 52.86 49.51 2wrk s ASN 84 Cb -0.07 -2.38 0.04 0.00 0.02 0.00 0.00 41.25 38.85 2wrk s ASN 84 CO -0.19 -1.04 0.73 -0.31 0.02 0.00 0.00 177.10 176.31 2wrk s TYR 85 N 2.51 2.99 -0.84 2.20 4.12 -1.25 -4.97 117.35 122.10 2wrk s TYR 85 Ca 0.30 -0.15 -0.25 0.00 0.02 0.00 0.00 57.07 56.99 2wrk s TYR 85 Cb -0.06 -3.62 0.04 0.00 -1.52 0.00 0.00 41.96 36.80 2wrk s TYR 85 CO -0.08 -1.04 1.32 -0.65 0.02 0.00 0.00 175.55 175.11 2wrk s GLN 86 N 3.09 3.33 0.07 -0.62 -0.21 -1.26 -1.37 119.66 122.70 2wrk s GLN 86 Ca 0.23 -0.61 -0.24 0.00 0.02 0.00 0.00 55.36 54.76 2wrk s GLN 86 Cb -0.15 -4.60 -0.06 0.00 1.00 0.00 0.00 33.01 29.20 2wrk s GLN 86 CO 0.18 -2.14 0.73 0.08 -2.12 0.00 0.00 175.29 172.01 2wrk s VAL 87 N 5.31 4.66 -0.22 1.09 1.01 0.11 -4.82 120.40 127.55 2wrk s VAL 87 Ca 0.38 1.56 -0.19 0.00 0.00 0.00 0.00 61.98 63.73 2wrk s VAL 87 Cb -0.06 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 2wrk s VAL 87 CO 0.06 0.43 0.56 -2.16 0.00 0.00 0.00 175.10 173.99 2wrk s PRO 88 N -0.48 4.16 -0.21 2.72 0.04 -1.26 0.16 135.00 140.13 2wrk s PRO 88 Ca 0.36 0.46 -0.11 0.00 0.04 0.00 0.00 61.00 61.75 2wrk s PRO 88 Cb -0.21 -3.59 0.07 0.00 0.04 0.00 0.00 34.50 30.81 2wrk s PRO 88 CO 0.23 -0.24 0.50 0.00 0.04 0.00 0.00 177.00 177.53 2wrk s MET 89 N 1.93 0.48 0.02 4.56 0.23 -0.31 -4.94 119.30 121.27 2wrk s MET 89 Ca 0.25 0.99 -0.02 0.00 -1.03 0.00 0.00 55.69 55.88 2wrk s MET 89 Cb -0.16 0.14 -0.01 0.00 -1.53 0.00 0.00 34.83 33.27 2wrk s MET 89 CO 0.09 -0.17 0.02 0.39 -2.03 0.00 0.00 175.02 173.32 2wrk n GLU 90 N 4.53 0.00 -2.30 3.16 1.02 -1.26 -3.51 120.64 122.28 2wrk n GLU 90 Ca -0.19 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.69 2wrk n GLU 90 Cb 0.55 -0.07 0.05 0.00 -0.02 0.00 0.00 31.44 31.95 2wrk n GLU 90 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2wrk s VAL 91 N -0.10 2.92 -0.15 2.62 1.01 -1.18 -4.73 120.40 120.79 2wrk s VAL 91 Ca 0.04 -0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 2wrk s VAL 91 Cb -0.05 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2wrk s VAL 91 CO 0.04 -0.21 0.45 -0.55 0.00 0.00 0.00 175.10 174.82 2wrk s SER 92 N -4.42 6.60 0.28 3.32 0.15 -1.26 -4.96 113.70 113.41 2wrk s SER 92 Ca 0.57 0.71 -0.05 0.00 0.70 0.00 0.00 55.95 57.89 2wrk s SER 92 Cb -0.11 -2.26 0.54 0.00 -1.71 0.00 0.00 66.02 62.48 2wrk s SER 92 CO 0.45 -0.02 1.54 -0.81 1.20 0.00 0.00 173.24 175.60 2wrk n PRO 93 N 3.91 -0.09 0.26 5.44 -0.04 -1.26 -0.35 135.00 142.87 2wrk n PRO 93 Ca -0.08 1.52 -0.16 0.00 -0.04 0.00 0.00 63.50 64.74 2wrk n PRO 93 Cb 0.51 -2.31 -0.09 0.00 -0.04 0.00 0.00 33.50 31.58 2wrk n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wrk h ARG 94 N 0.00 -0.87 -0.89 0.54 3.08 -2.03 -3.06 114.38 111.16 2wrk h ARG 94 Ca 0.51 0.06 0.16 0.00 0.07 0.00 0.00 59.98 60.78 2wrk h ARG 94 Cb 0.87 0.20 -0.10 0.00 0.08 0.00 0.00 29.97 31.02 2wrk h ARG 94 CO -0.99 -0.58 0.48 -0.09 -1.07 0.00 0.00 179.97 177.72 2wrk h ARG 95 N -0.90 0.64 -0.98 0.04 2.43 -1.09 -1.90 114.38 112.62 2wrk h ARG 95 Ca -0.06 -0.04 0.25 0.00 -0.81 0.00 0.00 59.98 59.33 2wrk h ARG 95 Cb 0.79 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.13 2wrk h ARG 95 CO -0.07 0.42 0.66 1.96 -1.51 0.00 0.00 179.97 181.44 2wrk h GLN 96 N 0.66 0.25 0.19 0.20 4.20 -0.94 -0.32 115.11 119.34 2wrk h GLN 96 Ca 0.49 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.18 2wrk h GLN 96 Cb 0.72 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.44 2wrk h GLN 96 CO -0.37 0.16 -0.09 0.37 -0.67 0.00 0.00 178.83 178.23 2wrk h GLN 97 N 0.25 -0.24 -0.81 1.46 4.15 -1.42 -2.31 115.11 116.19 2wrk h GLN 97 Ca 0.51 0.02 0.19 0.00 0.77 0.00 0.00 58.65 60.14 2wrk h GLN 97 Cb 1.55 0.06 -0.15 0.00 0.21 0.00 0.00 27.48 29.14 2wrk h GLN 97 CO -0.15 -0.15 -0.10 0.43 -1.93 0.00 0.00 178.83 176.93 2wrk n SER 98 N -4.95 -0.20 0.34 -0.69 7.64 -0.75 -0.67 113.62 114.34 2wrk n SER 98 Ca -0.03 1.38 -0.15 0.00 1.01 0.00 0.00 58.87 61.08 2wrk n SER 98 Cb 0.11 -0.46 -0.08 0.00 -1.01 0.00 0.00 64.21 62.77 2wrk n SER 98 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2wrk h LEU 99 N 0.00 -0.75 -0.22 -3.43 3.38 -1.16 -0.30 115.31 112.84 2wrk h LEU 99 Ca 0.44 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.46 2wrk h LEU 99 Cb 0.79 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.66 2wrk h LEU 99 CO -0.80 -0.39 -0.26 0.00 0.09 0.00 0.00 178.44 177.08 2wrk h ALA 100 N -1.00 -0.18 -0.12 1.53 0.00 -0.32 0.20 119.26 119.37 2wrk h ALA 100 Ca -0.09 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2wrk h ALA 100 Cb 0.71 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 2wrk h ALA 100 CO 0.15 -0.69 -0.11 -0.07 0.00 0.00 0.00 179.25 178.52 2wrk h LEU 101 N -0.28 -0.35 -0.08 0.00 3.38 -0.95 0.15 115.31 117.19 2wrk h LEU 101 Ca 0.13 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.21 2wrk h LEU 101 Cb 0.48 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 2wrk h LEU 101 CO -0.38 -0.15 -0.36 -0.09 0.09 0.00 0.00 178.44 177.55 2wrk h ARG 102 N -0.13 -0.45 -0.88 1.13 2.43 -0.04 -0.87 114.38 115.57 2wrk h ARG 102 Ca 0.08 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2wrk h ARG 102 Cb 0.25 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 2wrk h ARG 102 CO -0.20 -0.30 0.51 -1.49 -1.51 0.00 0.00 179.97 176.98 2wrk h TRP 103 N -0.47 1.18 -0.08 2.20 6.55 -0.44 -0.92 115.95 123.97 2wrk h TRP 103 Ca 0.08 -0.02 0.02 0.00 0.95 0.00 0.00 58.89 59.91 2wrk h TRP 103 Cb 0.59 -0.38 -0.03 0.00 -0.86 0.00 0.00 29.16 28.48 2wrk h TRP 103 CO -0.41 0.80 -0.25 -0.07 -1.05 0.00 0.00 178.44 177.46 2wrk h LEU 104 N 1.22 -0.80 -0.25 -4.49 -0.00 0.26 0.63 115.31 111.88 2wrk h LEU 104 Ca 0.31 0.10 0.05 0.00 -0.00 0.00 0.00 57.88 58.34 2wrk h LEU 104 Cb -0.01 0.32 -0.08 0.00 -0.00 0.00 0.00 40.66 40.89 2wrk h LEU 104 CO -0.05 -0.22 -0.47 0.58 -0.00 0.00 0.00 178.44 178.28 2wrk h VAL 105 N -0.25 0.08 -0.79 1.22 2.07 -0.94 -0.73 116.25 116.91 2wrk h VAL 105 Ca 0.02 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.64 2wrk h VAL 105 Cb 0.31 0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 30.08 2wrk h VAL 105 CO -0.21 0.00 0.42 1.56 0.02 0.00 0.00 177.57 179.35 2wrk h GLN 106 N -0.46 0.65 -0.18 1.57 4.20 -0.69 -0.61 115.11 119.60 2wrk h GLN 106 Ca 0.08 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 2wrk h GLN 106 Cb 0.63 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2wrk h GLN 106 CO -0.49 0.43 -0.00 0.00 -0.67 0.00 0.00 178.83 178.11 2wrk h ALA 107 N 1.47 0.24 -0.38 3.87 0.00 0.60 -2.86 119.26 122.20 2wrk h ALA 107 Ca 0.40 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2wrk h ALA 107 Cb 0.44 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.07 2wrk h ALA 107 CO -0.29 -0.05 -0.36 0.00 0.00 0.00 0.00 179.25 178.56 2wrk h ALA 108 N 0.78 -0.27 0.00 0.00 0.00 -0.36 0.34 119.26 119.75 2wrk h ALA 108 Ca 0.05 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wrk h ALA 108 Cb 0.38 0.76 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2wrk h ALA 108 CO 0.01 -0.77 0.00 0.09 0.00 0.00 0.00 179.25 178.58 2wrk n ASN 109 N -5.42 0.00 0.09 0.00 3.02 -0.31 -0.98 115.26 111.66 2wrk n ASN 109 Ca 0.00 0.48 0.05 0.00 -0.03 0.00 0.00 54.58 55.08 2wrk n ASN 109 Cb 0.34 -0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 2wrk n ASN 109 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2wrk h GLN 110 N 0.00 0.00 -6.63 3.52 4.20 -0.10 -3.48 115.11 112.62 2wrk h GLN 110 Ca 0.00 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.30 2wrk h GLN 110 Cb 0.12 0.00 0.22 0.00 0.30 0.00 0.00 27.48 28.11 2wrk h GLN 110 CO 0.00 0.21 -0.83 0.54 -0.67 0.00 0.00 178.83 178.08 2wrk n ARG 111 N -2.89 -2.04 0.01 1.46 1.74 -0.15 -4.98 116.66 109.80 2wrk n ARG 111 Ca -0.04 -0.58 0.11 0.00 -0.77 0.00 0.00 57.85 56.57 2wrk n ARG 111 Cb 0.71 -1.72 -0.07 0.00 -1.02 0.00 0.00 32.46 30.37 2wrk n ARG 111 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2wrk n PRO 112 N -2.53 0.22 -1.70 5.56 -0.04 -1.26 -4.97 135.00 130.28 2wrk n PRO 112 Ca 0.02 -0.04 -0.44 0.00 -0.04 0.00 0.00 63.50 63.00 2wrk n PRO 112 Cb 0.58 -1.53 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 2wrk n PRO 112 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wrk n GLU 113 N -1.79 2.37 0.00 0.54 -0.58 -1.26 -4.93 120.64 114.98 2wrk n GLU 113 Ca 0.02 0.85 0.00 0.00 -0.42 0.00 0.00 57.16 57.61 2wrk n GLU 113 Cb 0.41 -2.60 0.00 0.00 -0.57 0.00 0.00 31.44 28.68 2wrk n GLU 113 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wrk n ARG 114 N 2.74 0.00 -2.39 3.49 1.74 -1.26 -4.70 116.66 116.28 2wrk n ARG 114 Ca 0.13 0.58 -0.34 0.00 -0.77 0.00 0.00 57.85 57.44 2wrk n ARG 114 Cb 0.33 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.27 2wrk n ARG 114 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wrk s ARG 115 N -2.91 3.57 0.02 5.56 0.52 -1.26 -5.00 118.95 119.45 2wrk s ARG 115 Ca 0.00 1.47 -0.19 0.00 -0.52 0.00 0.00 55.73 56.49 2wrk s ARG 115 Cb 0.00 -2.05 -0.11 0.00 0.52 0.00 0.00 34.95 33.31 2wrk s ARG 115 CO 0.00 -0.64 1.19 0.00 0.02 0.00 0.00 175.30 175.86 2wrk h ALA 116 N 1.34 -1.09 0.00 2.13 0.00 -2.00 -3.16 119.26 116.48 2wrk h ALA 116 Ca -0.50 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2wrk h ALA 116 Cb 1.24 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2wrk h ALA 116 CO 0.58 -1.04 0.55 0.00 0.00 0.00 0.00 179.25 179.34 2wrk h ALA 117 N -1.62 1.51 0.01 0.00 0.00 -1.95 0.55 119.26 117.76 2wrk h ALA 117 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2wrk h ALA 117 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2wrk h ALA 117 CO 0.12 -0.51 -0.17 0.28 0.00 0.00 0.00 179.25 178.96 2wrk h VAL 118 N 0.00 1.61 -0.18 0.00 2.07 -1.90 -2.21 116.25 115.65 2wrk h VAL 118 Ca 0.00 -2.02 0.03 0.00 0.82 0.00 0.00 66.70 65.53 2wrk h VAL 118 Cb 1.10 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 33.77 2wrk h VAL 118 CO 0.00 0.54 0.02 0.03 0.02 0.00 0.00 177.57 178.18 2wrk h ARG 119 N -0.66 0.08 -0.22 1.57 3.08 0.06 -0.09 114.38 118.20 2wrk h ARG 119 Ca -0.02 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.07 2wrk h ARG 119 Cb 0.98 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.96 2wrk h ARG 119 CO 0.03 0.05 -0.08 0.82 -1.07 0.00 0.00 179.97 179.72 2wrk h ILE 120 N 0.08 0.71 -0.09 2.04 1.08 -1.36 0.52 117.51 120.50 2wrk h ILE 120 Ca 0.08 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.58 2wrk h ILE 120 Cb 0.09 0.71 -0.05 0.00 -3.07 0.00 0.00 36.82 34.50 2wrk h ILE 120 CO -0.12 0.00 -0.46 0.00 -0.69 0.00 0.00 178.15 176.87 2wrk h ALA 121 N 1.16 -0.84 0.30 1.87 0.00 -0.72 0.43 119.26 121.46 2wrk h ALA 121 Ca 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wrk h ALA 121 Cb 0.22 0.93 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2wrk h ALA 121 CO -0.25 -1.00 -0.14 0.45 0.00 0.00 0.00 179.25 178.30 2wrk h HIS 122 N -0.52 -0.37 -0.59 0.00 3.86 -0.56 -0.85 115.15 116.13 2wrk h HIS 122 Ca 0.02 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.40 2wrk h HIS 122 Cb 0.59 0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.16 2wrk h HIS 122 CO -0.55 -0.20 0.44 1.49 0.86 0.00 0.00 177.93 179.97 2wrk h GLU 123 N -0.46 0.00 0.00 2.45 4.57 0.12 0.14 114.58 121.40 2wrk h GLU 123 Ca -0.04 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.92 2wrk h GLU 123 Cb 0.35 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2wrk h GLU 123 CO 0.07 0.00 -0.93 -0.07 -1.18 0.00 0.00 179.01 176.90 2wrk h LEU 124 N 0.00 0.45 -0.09 1.64 3.38 -0.19 -2.86 115.31 117.64 2wrk h LEU 124 Ca 0.28 -0.36 -0.21 0.00 0.09 0.00 0.00 57.88 57.68 2wrk h LEU 124 Cb 1.15 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.77 2wrk h LEU 124 CO -0.00 1.16 -0.77 0.24 0.09 0.00 0.00 178.44 179.16 2wrk h MET 125 N 0.19 0.68 -0.44 1.13 2.86 0.62 -3.14 114.93 116.82 2wrk h MET 125 Ca -0.07 -0.61 -0.06 0.00 -2.06 0.00 0.00 59.70 56.90 2wrk h MET 125 Cb 1.56 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 33.35 2wrk h MET 125 CO 0.15 1.22 0.04 -0.44 1.06 0.00 0.00 176.91 178.95 2wrk h ASP 126 N 0.35 0.72 0.31 1.22 3.45 -1.34 -2.39 116.42 118.73 2wrk h ASP 126 Ca -0.07 -0.28 -0.00 0.00 0.43 0.00 0.00 57.03 57.10 2wrk h ASP 126 Cb 1.42 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 39.97 2wrk h ASP 126 CO 0.16 0.82 -0.43 0.00 -1.57 0.00 0.00 179.24 178.22 2wrk h ALA 127 N 0.93 -1.03 -0.72 3.45 0.00 -1.56 1.52 119.26 121.84 2wrk h ALA 127 Ca 0.13 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.03 2wrk h ALA 127 Cb 0.43 0.72 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 2wrk h ALA 127 CO 0.01 -1.09 0.30 0.00 0.00 0.00 0.00 179.25 178.47 2wrk h ALA 128 N -0.92 1.00 -0.76 0.00 0.00 -1.60 0.21 119.26 117.19 2wrk h ALA 128 Ca -0.04 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2wrk h ALA 128 Cb 0.70 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2wrk h ALA 128 CO -0.12 -0.18 0.32 1.49 0.00 0.00 0.00 179.25 180.76 2wrk h GLU 129 N 0.46 1.12 0.00 0.00 4.81 -0.92 -3.45 114.58 116.60 2wrk h GLU 129 Ca 0.38 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2wrk h GLU 129 Cb 0.54 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2wrk h GLU 129 CO -0.36 0.90 0.00 0.41 -0.73 0.00 0.00 179.01 179.22 2wrk n GLY 130 N -0.91 0.81 0.37 1.92 0.00 0.50 -5.07 105.19 102.82 2wrk n GLY 130 Ca 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 2wrk n GLY 130 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wrk n LYS 131 N 0.00 0.00 -1.71 1.61 2.85 -0.05 -4.98 118.16 115.88 2wrk n LYS 131 Ca 0.00 -0.06 -0.31 0.00 -1.05 0.00 0.00 58.31 56.89 2wrk n LYS 131 Cb 0.00 0.04 0.03 0.00 -0.65 0.00 0.00 35.03 34.45 2wrk n LYS 131 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2wrk s GLY 132 N -0.06 1.66 0.60 2.58 0.00 -1.24 -4.87 107.32 106.00 2wrk s GLY 132 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 44.72 45.01 2wrk s GLY 132 CO 0.00 0.29 1.97 -1.33 0.00 0.00 0.00 173.10 174.03 2wrk h GLY 133 N -0.54 0.00 0.32 0.20 0.00 -1.93 -1.80 103.07 99.32 2wrk h GLY 133 Ca -0.44 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 2wrk h GLY 133 CO 0.59 0.00 -0.15 0.00 0.00 0.00 0.00 176.54 176.98 2wrk h ALA 134 N 1.55 -0.80 -1.55 3.60 0.00 -1.90 -3.04 119.26 117.13 2wrk h ALA 134 Ca 0.15 -0.09 0.50 0.00 0.00 0.00 0.00 54.91 55.46 2wrk h ALA 134 Cb 0.88 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.72 2wrk h ALA 134 CO -0.00 -0.77 1.05 0.28 0.00 0.00 0.00 179.25 179.80 2wrk h VAL 135 N -0.57 0.04 -0.27 0.00 2.07 -1.64 1.87 116.25 117.76 2wrk h VAL 135 Ca -0.04 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2wrk h VAL 135 Cb 0.33 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2wrk h VAL 135 CO 0.07 0.00 0.12 0.11 0.02 0.00 0.00 177.57 177.89 2wrk h LYS 136 N 0.02 0.38 0.59 1.57 1.79 -1.38 0.18 116.57 119.71 2wrk h LYS 136 Ca 0.88 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 59.28 2wrk h LYS 136 Cb 3.06 -0.08 0.01 0.00 -1.58 0.00 0.00 32.23 33.64 2wrk h LYS 136 CO -0.31 0.31 -0.28 0.87 -1.08 0.00 0.00 179.45 178.96 2wrk h LYS 137 N 0.38 -0.76 -0.59 3.15 1.79 0.30 -2.11 116.57 118.72 2wrk h LYS 137 Ca 0.10 0.05 0.11 0.00 -2.18 0.00 0.00 60.65 58.73 2wrk h LYS 137 Cb 0.07 0.17 -0.12 0.00 -1.58 0.00 0.00 32.23 30.77 2wrk h LYS 137 CO -0.01 -0.51 -0.30 -0.22 -1.08 0.00 0.00 179.45 177.33 2wrk h LYS 138 N -1.20 -0.13 -0.63 3.15 3.64 -1.21 0.24 116.57 120.42 2wrk h LYS 138 Ca -0.08 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.44 2wrk h LYS 138 Cb 0.60 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.35 2wrk h LYS 138 CO 0.13 -0.09 0.05 0.93 -2.27 0.00 0.00 179.45 178.20 2wrk h GLU 139 N -0.14 0.16 0.46 1.90 5.08 -0.69 -0.40 114.58 120.95 2wrk h GLU 139 Ca 0.25 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2wrk h GLU 139 Cb 0.54 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2wrk h GLU 139 CO -0.67 0.10 -0.22 0.22 -1.00 0.00 0.00 179.01 177.44 2wrk h ASP 140 N 0.16 -0.52 -0.55 1.42 3.58 0.06 0.28 116.42 120.84 2wrk h ASP 140 Ca 0.34 -0.04 0.16 0.00 0.42 0.00 0.00 57.03 57.91 2wrk h ASP 140 Cb 0.55 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.71 2wrk h ASP 140 CO -0.51 -0.29 0.63 0.58 -2.88 0.00 0.00 179.24 176.78 2wrk h VAL 141 N -0.72 0.26 0.08 2.25 2.07 0.04 -0.13 116.25 120.10 2wrk h VAL 141 Ca -0.06 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.09 2wrk h VAL 141 Cb 0.52 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2wrk h VAL 141 CO 0.10 0.00 -2.08 -0.62 0.02 0.00 0.00 177.57 175.00 2wrk n GLU 142 N -3.56 0.72 -0.35 1.57 1.02 -0.24 -3.71 120.64 116.10 2wrk n GLU 142 Ca 0.11 0.23 0.09 0.00 -0.02 0.00 0.00 57.16 57.58 2wrk n GLU 142 Cb 0.84 -1.67 0.27 0.00 -0.02 0.00 0.00 31.44 30.85 2wrk n GLU 142 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wrk h ARG 143 N 0.05 0.82 -0.18 3.49 3.08 0.83 -1.65 114.38 120.82 2wrk h ARG 143 Ca -0.44 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 59.61 2wrk h ARG 143 Cb 2.01 -0.18 -0.07 0.00 0.08 0.00 0.00 29.97 31.81 2wrk h ARG 143 CO 0.05 0.54 -0.37 0.52 -1.07 0.00 0.00 179.97 179.65 2wrk h MET 144 N 0.84 -0.40 -7.31 0.04 2.86 -1.41 -2.42 114.93 107.14 2wrk h MET 144 Ca 0.52 0.03 -0.49 0.00 -2.06 0.00 0.00 59.70 57.70 2wrk h MET 144 Cb 0.67 0.09 0.16 0.00 0.06 0.00 0.00 31.60 32.58 2wrk h MET 144 CO -0.33 -0.26 0.23 0.00 1.06 0.00 0.00 176.91 177.61 2wrk s ALA 145 N -5.95 1.42 0.00 6.32 0.00 -0.62 -2.08 121.76 120.85 2wrk s ALA 145 Ca -0.15 0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2wrk s ALA 145 Cb 0.10 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2wrk s ALA 145 CO 0.65 -2.48 0.00 0.39 0.00 0.00 0.00 175.76 174.33 2wrk n GLU 146 N -3.98 0.00 -0.30 0.00 -0.58 -1.26 -4.36 120.64 110.16 2wrk n GLU 146 Ca 0.07 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.93 2wrk n GLU 146 Cb 0.54 0.00 0.28 0.00 -0.57 0.00 0.00 31.44 31.70 2wrk n GLU 146 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wrk h ALA 147 N 0.00 1.34 -0.81 0.62 0.00 -1.10 0.85 119.26 120.16 2wrk h ALA 147 Ca 0.00 0.17 -0.51 0.00 0.00 0.00 0.00 54.91 54.57 2wrk h ALA 147 Cb 0.00 0.18 -0.28 0.00 0.00 0.00 0.00 17.79 17.69 2wrk h ALA 147 CO 0.00 -0.35 0.31 0.09 0.00 0.00 0.00 179.25 179.30 2wrk n ASN 148 N -5.08 5.18 0.00 0.00 3.02 -0.88 -4.51 115.26 112.99 2wrk n ASN 148 Ca 0.21 -3.75 0.08 0.00 -0.03 0.00 0.00 54.58 51.09 2wrk n ASN 148 Cb 0.63 -0.76 0.35 0.00 -0.61 0.00 0.00 39.78 39.39 2wrk n ASN 148 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2wrk n ARG 149 N -0.98 0.04 0.00 3.52 0.63 0.30 -3.61 116.66 116.55 2wrk n ARG 149 Ca 0.52 0.21 0.00 0.00 -0.92 0.00 0.00 57.85 57.66 2wrk n ARG 149 Cb 1.03 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.44 2wrk n ARG 149 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wrk n ALA 150 N -1.46 -0.34 -0.97 5.13 0.00 -1.26 -2.78 120.51 118.83 2wrk n ALA 150 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.27 2wrk n ALA 150 Cb 0.18 0.12 -0.08 0.00 0.00 0.00 0.00 19.45 19.67 2wrk n ALA 150 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wrk n TYR 151 N -2.12 1.00 0.10 0.00 4.02 -1.24 -4.39 117.16 114.54 2wrk n TYR 151 Ca 0.00 -1.96 -0.22 0.00 -0.01 0.00 0.00 57.90 55.71 2wrk n TYR 151 Cb 0.00 -1.79 -0.15 0.00 -0.02 0.00 0.00 39.34 37.38 2wrk n TYR 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wrk h ALA 152 N 4.48 0.07 0.00 -0.72 0.00 -1.72 -3.33 119.26 118.03 2wrk h ALA 152 Ca 0.44 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2wrk h ALA 152 Cb 0.76 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2wrk h ALA 152 CO 0.96 0.94 0.01 -2.39 0.00 0.00 0.00 179.25 178.77 2wrk n HIS 153 N -3.60 0.00 1.31 0.00 1.44 -1.26 -1.45 115.22 111.65 2wrk n HIS 153 Ca -0.20 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.64 2wrk n HIS 153 Cb 1.08 -0.21 0.41 0.00 0.12 0.00 0.00 29.99 31.39 2wrk n HIS 153 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2wrk n TYR 154 N -1.20 0.00 -1.32 -1.40 0.53 -1.25 -4.97 117.16 107.55 2wrk n TYR 154 Ca 0.00 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.48 2wrk n TYR 154 Cb 0.01 -0.09 0.01 0.00 -1.03 0.00 0.00 39.34 38.24 2wrk n TYR 154 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2wrk n ARG 155 N -0.43 0.13 0.00 -0.72 1.74 -0.53 -5.03 116.66 111.83 2wrk n ARG 155 Ca 0.14 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 2wrk n ARG 155 Cb 0.35 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 2wrk n ARG 155 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44