#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wlk s LEU 2 N 0.00 4.17 0.73 -0.89 1.43 -1.26 -5.00 118.68 117.87 1wlk s LEU 2 Ca 0.00 2.89 -0.11 0.00 -1.03 0.00 0.00 54.13 55.88 1wlk s LEU 2 Cb 0.00 -3.88 0.04 0.00 0.03 0.00 0.00 46.19 42.38 1wlk s LEU 2 CO 0.00 -1.05 1.09 -2.16 0.23 0.00 0.00 176.35 174.45 1wlk s PRO 3 N -2.33 2.51 0.37 1.29 0.04 -1.26 -4.95 135.00 130.67 1wlk s PRO 3 Ca 0.58 1.15 0.07 0.00 0.04 0.00 0.00 61.00 62.84 1wlk s PRO 3 Cb -0.43 -1.93 0.77 0.00 0.04 0.00 0.00 34.50 32.95 1wlk s PRO 3 CO 0.56 -1.45 1.95 0.78 0.04 0.00 0.00 177.00 178.89 1wlk h GLY 4 N -0.83 0.96 1.45 0.56 0.00 -2.00 -1.60 103.07 101.61 1wlk h GLY 4 Ca -0.44 -0.29 0.03 0.00 0.00 0.00 0.00 47.33 46.62 1wlk h GLY 4 CO 0.53 0.20 0.31 -0.84 0.00 0.00 0.00 176.54 176.74 1wlk h THR 5 N 0.73 1.05 -0.33 4.70 2.02 -1.97 0.10 112.91 119.21 1wlk h THR 5 Ca 0.33 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 1wlk h THR 5 Cb 0.33 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1wlk h THR 5 CO -0.11 0.10 0.08 0.15 0.37 0.00 0.00 175.52 176.10 1wlk h PHE 6 N 0.53 0.56 0.00 3.16 3.04 -1.66 -1.00 116.94 121.57 1wlk h PHE 6 Ca 0.18 -0.07 -0.08 0.00 3.98 0.00 0.00 57.97 61.99 1wlk h PHE 6 Cb 0.08 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.43 1wlk h PHE 6 CO -0.00 0.58 -0.36 0.74 -2.02 0.00 0.00 178.31 177.24 1wlk h PHE 7 N 0.38 0.00 -0.27 0.41 0.04 -1.25 -2.43 116.94 113.81 1wlk h PHE 7 Ca 0.10 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.73 1wlk h PHE 7 Cb 0.30 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1wlk h PHE 7 CO 0.02 0.36 -0.43 1.49 -0.60 0.00 0.00 178.31 179.15 1wlk h GLU 8 N 0.00 0.67 -0.65 1.51 4.57 -0.39 -2.48 114.58 117.80 1wlk h GLU 8 Ca -0.00 -0.36 -0.04 0.00 -1.18 0.00 0.00 59.36 57.78 1wlk h GLU 8 Cb 0.80 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.37 1wlk h GLU 8 CO 0.05 0.97 0.27 0.28 -1.18 0.00 0.00 179.01 179.39 1wlk h VAL 9 N 0.54 1.24 0.00 0.32 2.07 -0.77 -2.20 116.25 117.44 1wlk h VAL 9 Ca 0.04 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1wlk h VAL 9 Cb 0.96 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1wlk h VAL 9 CO 0.09 0.29 0.00 -0.07 0.02 0.00 0.00 177.57 177.90 1wlk h LEU 10 N 0.91 0.00 0.00 2.57 3.38 -1.11 -0.89 115.31 120.18 1wlk h LEU 10 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1wlk h LEU 10 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1wlk h LEU 10 CO -0.02 0.00 -0.01 0.29 0.09 0.00 0.00 178.44 178.79 1wlk n LYS 11 N -2.65 0.14 -4.22 1.13 5.02 -0.83 -4.23 118.16 112.52 1wlk n LYS 11 Ca -0.00 0.11 -0.26 0.00 -2.02 0.00 0.00 58.31 56.14 1wlk n LYS 11 Cb 0.16 -1.66 -0.08 0.00 -0.02 0.00 0.00 35.03 33.43 1wlk n LYS 11 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1wlk s ASN 12 N -3.82 4.74 0.49 4.39 0.01 -0.34 -5.05 114.94 115.36 1wlk s ASN 12 Ca 0.12 -0.44 -0.23 0.00 -0.71 0.00 0.00 52.86 51.60 1wlk s ASN 12 Cb 0.15 -0.99 -0.07 0.00 0.41 0.00 0.00 41.25 40.76 1wlk s ASN 12 CO 0.57 0.07 1.33 -1.61 -1.51 0.00 0.00 177.10 175.95 1wlk s GLU 13 N -3.10 3.49 0.00 -0.60 2.02 -1.26 -4.56 118.70 114.69 1wlk s GLU 13 Ca 0.28 2.19 0.00 0.00 0.02 0.00 0.00 54.97 57.46 1wlk s GLU 13 Cb -0.09 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.70 1wlk s GLU 13 CO 0.19 -0.90 0.00 0.41 0.02 0.00 0.00 175.26 174.98 1wlk n GLY 14 N 0.64 0.98 3.46 -1.39 0.00 -1.26 -4.88 105.19 102.74 1wlk n GLY 14 Ca 0.08 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 1wlk n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wlk s VAL 15 N -2.00 4.12 -0.03 1.61 1.01 -1.26 -1.30 120.40 122.55 1wlk s VAL 15 Ca 0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 1wlk s VAL 15 Cb 0.00 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1wlk s VAL 15 CO 0.00 0.41 0.34 -0.69 0.00 0.00 0.00 175.10 175.15 1wlk s VAL 16 N 1.12 5.16 -0.06 2.92 1.01 0.53 -4.65 120.40 126.42 1wlk s VAL 16 Ca 0.03 0.66 0.05 0.00 0.00 0.00 0.00 61.98 62.72 1wlk s VAL 16 Cb -0.14 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1wlk s VAL 16 CO 0.02 0.59 -0.22 0.00 0.00 0.00 0.00 175.10 175.49 1wlk s ALA 17 N -1.07 2.32 -0.15 5.51 0.00 -0.43 -1.83 121.76 126.10 1wlk s ALA 17 Ca 0.21 -1.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.16 1wlk s ALA 17 Cb -0.15 -0.79 0.03 0.00 0.00 0.00 0.00 23.12 22.20 1wlk s ALA 17 CO 0.11 0.42 -0.09 0.42 0.00 0.00 0.00 175.76 176.62 1wlk s ILE 18 N -0.21 1.28 -0.02 0.00 1.01 0.55 -1.44 121.20 122.36 1wlk s ILE 18 Ca -0.01 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 1wlk s ILE 18 Cb -0.13 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 1wlk s ILE 18 CO 0.03 0.29 0.07 0.00 0.00 0.00 0.00 174.94 175.34 1wlk s ALA 19 N 1.59 3.57 0.20 9.38 0.00 0.13 -1.78 121.76 134.85 1wlk s ALA 19 Ca 0.03 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1wlk s ALA 19 Cb -0.14 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 1wlk s ALA 19 CO -0.09 0.67 0.07 0.95 0.00 0.00 0.00 175.76 177.36 1wlk s THR 20 N -1.14 0.44 -0.24 0.00 -4.23 -0.61 -2.11 115.64 107.75 1wlk s THR 20 Ca 0.21 -1.98 -0.14 0.00 -1.18 0.00 0.00 61.69 58.60 1wlk s THR 20 Cb -0.12 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 1wlk s THR 20 CO 0.11 -0.21 0.31 -1.58 -0.54 0.00 0.00 174.62 172.71 1wlk s GLN 21 N -4.02 4.09 0.41 3.99 2.00 -1.26 -1.19 119.66 123.67 1wlk s GLN 21 Ca 0.32 -0.02 0.08 0.00 -2.00 0.00 0.00 55.36 53.74 1wlk s GLN 21 Cb 0.07 -3.58 -0.02 0.00 0.80 0.00 0.00 33.01 30.28 1wlk s GLN 21 CO 0.09 -0.08 0.36 0.20 -0.50 0.00 0.00 175.29 175.35 1wlk s GLY 22 N 1.26 2.10 0.34 2.59 0.00 0.92 -4.75 107.32 109.79 1wlk s GLY 22 Ca 0.14 -1.87 0.13 0.00 0.00 0.00 0.00 44.72 43.12 1wlk s GLY 22 CO 0.08 -1.69 1.75 -2.09 0.00 0.00 0.00 173.10 171.14 1wlk h GLU 23 N 1.08 0.00 -0.65 2.90 4.81 -1.97 -2.86 114.58 117.88 1wlk h GLU 23 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1wlk h GLU 23 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1wlk h GLU 23 CO 0.58 0.45 0.00 -0.40 -0.73 0.00 0.00 179.01 178.91 1wlk n ASP 24 N -3.92 3.56 0.00 1.04 3.85 -1.26 -5.06 116.55 114.76 1wlk n ASP 24 Ca -0.01 -2.00 0.00 0.00 -0.71 0.00 0.00 54.79 52.07 1wlk n ASP 24 Cb 0.48 -0.43 0.00 0.00 -1.35 0.00 0.00 41.12 39.82 1wlk n ASP 24 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wlk n GLY 25 N 1.56 0.38 3.75 6.12 0.00 -1.08 -5.07 105.19 110.86 1wlk n GLY 25 Ca 0.22 -2.25 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 1wlk n GLY 25 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1wlk s PRO 26 N -0.36 2.34 0.09 1.61 0.02 -1.26 -0.05 135.00 137.39 1wlk s PRO 26 Ca 0.00 1.38 0.07 0.00 0.02 0.00 0.00 61.00 62.47 1wlk s PRO 26 Cb 0.00 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 1wlk s PRO 26 CO 0.00 -1.61 -0.18 -1.58 -0.33 0.00 0.00 177.00 173.30 1wlk s HIS 27 N -2.52 1.53 -0.05 6.54 2.46 -0.33 -4.73 115.29 118.19 1wlk s HIS 27 Ca 0.66 -0.45 -0.02 0.00 0.47 0.00 0.00 55.06 55.72 1wlk s HIS 27 Cb -0.21 -0.84 0.03 0.00 -0.13 0.00 0.00 32.58 31.44 1wlk s HIS 27 CO 0.49 0.15 0.09 -1.17 -2.47 0.00 0.00 174.74 171.82 1wlk s LEU 28 N -1.92 0.53 0.30 8.88 2.96 -1.26 -1.57 118.68 126.59 1wlk s LEU 28 Ca 0.04 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 1wlk s LEU 28 Cb -0.09 0.07 -0.05 0.00 0.50 0.00 0.00 46.19 46.61 1wlk s LEU 28 CO 0.03 -0.19 0.09 0.68 -1.32 0.00 0.00 176.35 175.64 1wlk s VAL 29 N 1.62 0.79 0.36 1.68 -7.23 -0.73 -4.97 120.40 111.92 1wlk s VAL 29 Ca -0.03 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.17 1wlk s VAL 29 Cb -0.12 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 1wlk s VAL 29 CO -0.04 0.00 0.12 0.20 -0.31 0.00 0.00 175.10 175.07 1wlk s ASN 30 N -3.40 2.29 0.38 4.85 -0.87 -1.26 -0.33 114.94 116.59 1wlk s ASN 30 Ca 0.36 -1.56 -0.11 0.00 -1.57 0.00 0.00 52.86 49.98 1wlk s ASN 30 Cb 0.08 0.33 0.04 0.00 -0.02 0.00 0.00 41.25 41.67 1wlk s ASN 30 CO 0.15 -0.84 0.69 0.28 -2.57 0.00 0.00 177.10 174.80 1wlk s THR 31 N -3.36 0.00 0.07 1.60 -1.32 -0.76 -4.97 115.64 106.90 1wlk s THR 31 Ca 0.30 -1.21 0.02 0.00 -1.21 0.00 0.00 61.69 59.60 1wlk s THR 31 Cb 0.05 -2.82 -0.04 0.00 -1.51 0.00 0.00 72.50 68.17 1wlk s THR 31 CO 0.15 0.00 0.10 0.26 -2.21 0.00 0.00 174.62 172.93 1wlk s TRP 32 N -2.51 3.25 0.24 9.09 0.52 -1.26 -0.35 118.94 127.93 1wlk s TRP 32 Ca 0.21 0.12 -0.06 0.00 0.02 0.00 0.00 56.10 56.39 1wlk s TRP 32 Cb -0.04 -1.65 0.44 0.00 -1.15 0.00 0.00 33.47 31.07 1wlk s TRP 32 CO 0.15 0.54 1.69 -0.91 0.02 0.00 0.00 176.95 178.44 1wlk h ASN 33 N 3.31 0.04 0.52 2.95 4.21 -1.48 -1.21 115.58 123.92 1wlk h ASN 33 Ca -0.46 0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.18 1wlk h ASN 33 Cb 1.16 0.18 0.00 0.00 -1.12 0.00 0.00 38.32 38.54 1wlk h ASN 33 CO 0.67 -0.01 0.00 -1.54 -1.29 0.00 0.00 177.43 175.26 1wlk n SER 34 N -5.13 0.09 0.09 5.81 3.41 -1.26 -3.02 113.62 113.61 1wlk n SER 34 Ca 0.13 0.52 0.05 0.00 -0.26 0.00 0.00 58.87 59.32 1wlk n SER 34 Cb 0.44 -0.54 -0.01 0.00 -0.26 0.00 0.00 64.21 63.83 1wlk n SER 34 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1wlk h TYR 35 N 0.00 0.00 -3.94 7.33 0.99 -1.58 -3.47 116.97 116.31 1wlk h TYR 35 Ca 0.00 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.20 1wlk h TYR 35 Cb 0.26 0.00 0.08 0.00 1.00 0.00 0.00 36.73 38.07 1wlk h TYR 35 CO 0.00 0.32 0.63 -0.51 -0.00 0.00 0.00 178.16 178.60 1wlk s LEU 36 N -5.81 4.25 -0.04 3.88 1.43 -1.17 -4.56 118.68 116.66 1wlk s LEU 36 Ca 0.00 2.69 0.03 0.00 -1.03 0.00 0.00 54.13 55.82 1wlk s LEU 36 Cb 0.08 -3.85 0.01 0.00 0.03 0.00 0.00 46.19 42.46 1wlk s LEU 36 CO 0.78 -0.81 -0.11 -0.75 0.23 0.00 0.00 176.35 175.69 1wlk s LYS 37 N -2.17 1.36 -0.14 1.70 2.47 -0.66 -4.97 119.74 117.33 1wlk s LYS 37 Ca 0.55 -0.39 -0.03 0.00 -1.56 0.00 0.00 55.97 54.55 1wlk s LYS 37 Cb -0.39 -1.19 -0.03 0.00 -1.46 0.00 0.00 37.83 34.76 1wlk s LYS 37 CO 0.50 0.10 -0.05 0.08 0.16 0.00 0.00 175.35 176.14 1wlk s VAL 38 N 0.37 3.75 0.30 4.02 1.01 -1.26 0.67 120.40 129.27 1wlk s VAL 38 Ca -0.08 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.58 1wlk s VAL 38 Cb -0.12 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1wlk s VAL 38 CO 0.02 0.51 0.05 -0.76 0.00 0.00 0.00 175.10 174.92 1wlk s LEU 39 N 0.24 3.18 0.94 3.92 1.43 0.33 -4.96 118.68 123.75 1wlk s LEU 39 Ca -0.04 -0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 52.21 1wlk s LEU 39 Cb -0.14 -1.66 0.12 0.00 0.03 0.00 0.00 46.19 44.54 1wlk s LEU 39 CO 0.03 -0.14 0.94 -0.90 0.23 0.00 0.00 176.35 176.51 1wlk n ASP 40 N -0.99 -0.39 -0.36 2.29 5.68 -1.26 -1.97 116.55 119.55 1wlk n ASP 40 Ca -0.05 0.38 -0.04 0.00 -0.50 0.00 0.00 54.79 54.58 1wlk n ASP 40 Cb 0.60 -1.40 -0.01 0.00 -1.14 0.00 0.00 41.12 39.17 1wlk n ASP 40 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wlk n GLY 41 N 0.63 0.60 3.76 6.12 0.00 -1.26 -3.99 105.19 111.06 1wlk n GLY 41 Ca 0.10 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 1wlk n GLY 41 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wlk n ASN 42 N 1.29 -5.09 -4.22 1.61 6.94 -1.13 -4.76 115.26 109.90 1wlk n ASN 42 Ca -0.04 -0.95 -0.34 0.00 -0.02 0.00 0.00 54.58 53.22 1wlk n ASN 42 Cb 0.22 -2.32 -0.15 0.00 -2.36 0.00 0.00 39.78 35.17 1wlk n ASN 42 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1wlk s ARG 43 N -5.45 3.16 -0.23 -3.83 0.52 -0.83 -2.11 118.95 110.18 1wlk s ARG 43 Ca 0.18 -0.74 -0.16 0.00 -0.52 0.00 0.00 55.73 54.49 1wlk s ARG 43 Cb -0.09 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 1wlk s ARG 43 CO 0.89 -0.22 0.39 0.42 0.02 0.00 0.00 175.30 176.81 1wlk s ILE 44 N 1.38 5.19 -0.13 1.52 1.01 -0.14 -0.52 121.20 129.52 1wlk s ILE 44 Ca 0.05 0.67 -0.03 0.00 0.00 0.00 0.00 60.65 61.34 1wlk s ILE 44 Cb -0.14 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 1wlk s ILE 44 CO -0.08 0.21 -0.02 -0.69 0.00 0.00 0.00 174.94 174.36 1wlk s VAL 45 N 1.60 4.06 -0.07 2.92 1.01 0.21 -0.72 120.40 129.41 1wlk s VAL 45 Ca 0.18 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1wlk s VAL 45 Cb -0.15 -2.75 -0.00 0.00 0.00 0.00 0.00 36.38 33.48 1wlk s VAL 45 CO 0.08 0.53 -0.21 -0.69 0.00 0.00 0.00 175.10 174.81 1wlk s VAL 46 N -0.11 1.79 -0.05 2.92 1.01 -0.09 -1.65 120.40 124.22 1wlk s VAL 46 Ca 0.03 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 1wlk s VAL 46 Cb -0.13 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1wlk s VAL 46 CO 0.02 0.50 1.33 -2.16 0.00 0.00 0.00 175.10 174.79 1wlk s PRO 47 N 0.12 4.29 -0.29 2.72 0.04 -1.26 -0.92 135.00 139.70 1wlk s PRO 47 Ca -0.09 1.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.66 1wlk s PRO 47 Cb -0.15 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.72 1wlk s PRO 47 CO 0.05 -0.58 0.19 0.08 0.04 0.00 0.00 177.00 176.78 1wlk s VAL 48 N 2.66 5.19 -0.10 -0.36 1.01 -0.12 -4.92 120.40 123.77 1wlk s VAL 48 Ca 0.60 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.49 1wlk s VAL 48 Cb -0.27 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1wlk s VAL 48 CO 0.23 0.18 -0.20 0.61 0.00 0.00 0.00 175.10 175.92 1wlk n GLY 49 N 5.06 -0.45 0.00 4.51 0.00 -1.26 0.30 105.19 113.35 1wlk n GLY 49 Ca -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1wlk n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wlk n GLY 50 N 1.75 0.18 4.10 -0.02 0.00 -1.26 -4.59 105.19 105.35 1wlk n GLY 50 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1wlk n GLY 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wlk n MET 51 N 0.00 -3.22 -0.04 1.61 2.00 -1.26 -4.89 117.12 111.32 1wlk n MET 51 Ca 0.00 0.38 -0.14 0.00 0.00 0.00 0.00 57.70 57.94 1wlk n MET 51 Cb 0.00 -4.79 -0.11 0.00 0.00 0.00 0.00 33.22 28.32 1wlk n MET 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1wlk h HIS 52 N -1.69 0.06 -0.65 2.03 3.86 -1.99 -1.33 115.15 115.44 1wlk h HIS 52 Ca -0.61 -0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 58.49 1wlk h HIS 52 Cb 1.38 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.82 1wlk h HIS 52 CO 0.56 0.74 0.09 -0.22 0.86 0.00 0.00 177.93 179.97 1wlk h LYS 53 N -0.64 1.08 -0.53 2.45 3.64 -1.99 -1.53 116.57 119.06 1wlk h LYS 53 Ca -0.00 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1wlk h LYS 53 Cb 0.75 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1wlk h LYS 53 CO 0.01 1.01 0.35 1.15 -2.27 0.00 0.00 179.45 179.69 1wlk h THR 54 N 1.00 1.14 -0.70 1.00 2.02 -1.95 0.20 112.91 115.61 1wlk h THR 54 Ca 0.20 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 1wlk h THR 54 Cb 0.46 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 1wlk h THR 54 CO 0.02 0.14 0.21 -0.08 0.37 0.00 0.00 175.52 176.17 1wlk h GLU 55 N 0.72 1.10 -0.87 6.66 4.81 -0.99 -0.31 114.58 125.69 1wlk h GLU 55 Ca 0.19 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1wlk h GLU 55 Cb -0.08 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.11 1wlk h GLU 55 CO -0.04 0.95 0.45 0.00 -0.73 0.00 0.00 179.01 179.63 1wlk h ALA 56 N 1.10 1.12 -0.23 2.92 0.00 -0.78 -1.49 119.26 121.90 1wlk h ALA 56 Ca 0.22 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1wlk h ALA 56 Cb 0.32 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1wlk h ALA 56 CO -0.01 0.66 -0.03 -0.91 0.00 0.00 0.00 179.25 178.97 1wlk h ASN 57 N 1.23 0.42 -0.06 0.00 2.35 -0.54 -2.89 115.58 116.10 1wlk h ASN 57 Ca 0.30 -0.34 0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1wlk h ASN 57 Cb 0.08 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 1wlk h ASN 57 CO -0.04 0.66 0.04 0.58 -1.65 0.00 0.00 177.43 177.02 1wlk h VAL 58 N 0.17 0.85 0.00 2.81 2.07 -0.75 -0.65 116.25 120.75 1wlk h VAL 58 Ca 0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 1wlk h VAL 58 Cb 0.46 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1wlk h VAL 58 CO 0.02 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.45 1wlk h ALA 59 N 1.96 1.50 0.00 1.67 0.00 -1.05 -2.94 119.26 120.40 1wlk h ALA 59 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1wlk h ALA 59 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1wlk h ALA 59 CO -0.00 0.20 -1.83 0.54 0.00 0.00 0.00 179.25 178.16 1wlk n ARG 60 N -4.00 0.60 -3.23 0.00 5.12 -0.38 -4.89 116.66 109.88 1wlk n ARG 60 Ca -0.02 -0.17 -0.01 0.00 -1.93 0.00 0.00 57.85 55.72 1wlk n ARG 60 Cb 0.24 -1.47 -0.04 0.00 -1.16 0.00 0.00 32.46 30.04 1wlk n ARG 60 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1wlk s ASP 61 N -4.18 -0.80 0.05 0.55 3.68 -0.43 -5.04 116.67 110.49 1wlk s ASP 61 Ca -0.06 0.65 0.24 0.00 2.13 0.00 0.00 52.55 55.51 1wlk s ASP 61 Cb 0.13 1.79 0.98 0.00 -1.45 0.00 0.00 42.92 44.37 1wlk s ASP 61 CO 0.83 -0.27 1.76 -1.84 0.13 0.00 0.00 175.17 175.77 1wlk n GLU 62 N 5.41 0.05 -2.08 4.34 0.00 -1.20 -3.92 120.64 123.24 1wlk n GLU 62 Ca -0.02 0.14 -0.42 0.00 0.00 0.00 0.00 57.16 56.85 1wlk n GLU 62 Cb 0.51 -1.57 -0.03 0.00 0.00 0.00 0.00 31.44 30.34 1wlk n GLU 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1wlk s ARG 63 N -3.04 4.22 0.09 3.44 3.52 -1.26 0.21 118.95 126.12 1wlk s ARG 63 Ca 0.11 2.13 0.02 0.00 -0.13 0.00 0.00 55.73 57.85 1wlk s ARG 63 Cb 0.15 -3.77 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 1wlk s ARG 63 CO 0.45 -0.74 -0.07 0.14 -0.81 0.00 0.00 175.30 174.28 1wlk s VAL 64 N 3.22 0.64 0.11 7.11 -7.23 -0.58 -4.46 120.40 119.22 1wlk s VAL 64 Ca 0.70 -1.80 0.10 0.00 -1.81 0.00 0.00 61.98 59.17 1wlk s VAL 64 Cb -0.33 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 1wlk s VAL 64 CO 0.28 -0.81 -0.25 -0.76 -0.31 0.00 0.00 175.10 173.26 1wlk s LEU 65 N -2.81 2.30 -0.08 1.32 1.43 -0.90 -2.26 118.68 117.67 1wlk s LEU 65 Ca 0.08 -0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 52.42 1wlk s LEU 65 Cb 0.03 -1.10 0.03 0.00 0.03 0.00 0.00 46.19 45.19 1wlk s LEU 65 CO -0.04 0.14 0.20 -0.32 0.23 0.00 0.00 176.35 176.56 1wlk s MET 66 N -1.91 0.19 0.09 1.70 -2.45 0.20 -0.70 119.30 116.42 1wlk s MET 66 Ca 0.11 0.39 0.08 0.00 -1.25 0.00 0.00 55.69 55.02 1wlk s MET 66 Cb -0.10 -0.05 -0.03 0.00 1.25 0.00 0.00 34.83 35.90 1wlk s MET 66 CO 0.05 -0.11 -0.20 0.95 1.05 0.00 0.00 175.02 176.75 1wlk s THR 67 N 0.80 1.67 0.16 10.11 -4.23 -0.52 0.71 115.64 124.34 1wlk s THR 67 Ca -0.06 -1.48 -0.23 0.00 -1.18 0.00 0.00 61.69 58.75 1wlk s THR 67 Cb -0.07 -1.51 0.07 0.00 1.34 0.00 0.00 72.50 72.32 1wlk s THR 67 CO -0.05 -0.03 0.63 -1.48 -0.54 0.00 0.00 174.62 173.15 1wlk s LEU 68 N -1.78 -0.53 0.00 4.79 2.34 -1.15 -1.32 118.68 121.03 1wlk s LEU 68 Ca 0.06 -0.06 -0.16 0.00 0.06 0.00 0.00 54.13 54.03 1wlk s LEU 68 Cb -0.10 2.58 0.05 0.00 -0.56 0.00 0.00 46.19 48.17 1wlk s LEU 68 CO 0.04 -0.99 0.72 0.61 -1.06 0.00 0.00 176.35 175.67 1wlk n GLY 69 N -0.38 0.35 3.64 -3.48 0.00 -1.26 -1.37 105.19 102.68 1wlk n GLY 69 Ca -0.15 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.82 1wlk n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wlk s SER 70 N -2.60 -0.57 0.23 1.61 0.15 -0.42 -4.78 113.70 107.32 1wlk s SER 70 Ca 0.17 1.09 0.26 0.00 0.70 0.00 0.00 55.95 58.17 1wlk s SER 70 Cb -0.00 1.12 0.82 0.00 -1.71 0.00 0.00 66.02 66.25 1wlk s SER 70 CO -0.01 -0.19 1.76 0.03 1.20 0.00 0.00 173.24 176.04 1wlk h ARG 71 N 4.64 0.00 -0.01 5.44 3.08 -1.92 -1.95 114.38 123.66 1wlk h ARG 71 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1wlk h ARG 71 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1wlk h ARG 71 CO 0.09 0.00 -0.01 1.63 -1.07 0.00 0.00 179.97 180.61 1wlk n LYS 72 N -2.31 1.47 -4.99 0.04 5.02 -1.26 -2.94 118.16 113.19 1wlk n LYS 72 Ca 0.05 -0.73 -0.32 0.00 -2.02 0.00 0.00 58.31 55.29 1wlk n LYS 72 Cb 0.40 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.78 1wlk n LYS 72 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wlk s VAL 73 N -2.03 2.77 0.23 -0.18 1.01 -1.20 -4.89 120.40 116.10 1wlk s VAL 73 Ca 0.39 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 1wlk s VAL 73 Cb 0.21 -2.07 -0.10 0.00 0.00 0.00 0.00 36.38 34.42 1wlk s VAL 73 CO 0.35 0.58 1.46 0.00 0.00 0.00 0.00 175.10 177.49 1wlk s ALA 74 N -0.47 3.66 0.00 5.51 0.00 -1.26 0.52 121.76 129.72 1wlk s ALA 74 Ca 0.06 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1wlk s ALA 74 Cb -0.12 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1wlk s ALA 74 CO 0.02 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.44 1wlk n GLY 75 N 2.55 0.56 0.10 0.00 0.00 0.11 -4.71 105.19 103.79 1wlk n GLY 75 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 1wlk n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wlk n ARG 76 N 0.00 -0.42 -2.30 1.61 3.00 -1.26 -4.67 116.66 112.62 1wlk n ARG 76 Ca 0.00 -0.63 -0.01 0.00 -0.01 0.00 0.00 57.85 57.20 1wlk n ARG 76 Cb 0.00 -1.03 0.05 0.00 0.00 0.00 0.00 32.46 31.48 1wlk n ARG 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1wlk n ASN 77 N 0.10 0.19 0.00 0.55 4.05 -1.26 -5.13 115.26 113.76 1wlk n ASN 77 Ca 0.01 -2.07 0.00 0.00 0.45 0.00 0.00 54.58 52.97 1wlk n ASN 77 Cb 0.06 0.02 0.00 0.00 1.23 0.00 0.00 39.78 41.09 1wlk n ASN 77 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1wlk n GLY 78 N -0.62 0.58 3.77 8.20 0.00 -1.26 -5.06 105.19 110.80 1wlk n GLY 78 Ca -0.06 -2.28 -0.39 0.00 0.00 0.00 0.00 46.02 43.29 1wlk n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wlk s PRO 79 N -0.59 3.97 0.00 1.61 0.04 -1.26 0.08 135.00 138.85 1wlk s PRO 79 Ca 0.00 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1wlk s PRO 79 Cb 0.00 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.78 1wlk s PRO 79 CO 0.00 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 176.95 1wlk n GLY 80 N 0.66 1.53 3.61 0.56 0.00 0.19 -4.73 105.19 107.00 1wlk n GLY 80 Ca 0.04 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 1wlk n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wlk s THR 81 N 0.00 0.00 0.06 2.61 -1.32 -0.74 -3.68 115.64 112.57 1wlk s THR 81 Ca 0.00 -1.39 -0.28 0.00 -1.21 0.00 0.00 61.69 58.81 1wlk s THR 81 Cb 0.00 -2.21 0.10 0.00 -1.51 0.00 0.00 72.50 68.87 1wlk s THR 81 CO 0.00 0.00 1.15 -0.83 -2.21 0.00 0.00 174.62 172.73 1wlk s GLY 82 N -3.02 -0.33 0.09 6.08 0.00 -1.24 -1.30 107.32 107.60 1wlk s GLY 82 Ca 0.22 0.43 0.02 0.00 0.00 0.00 0.00 44.72 45.39 1wlk s GLY 82 CO 0.09 0.16 -0.08 -1.36 0.00 0.00 0.00 173.10 171.92 1wlk s PHE 83 N -2.77 0.90 -0.26 1.90 0.40 -0.47 -1.75 117.98 115.92 1wlk s PHE 83 Ca 0.14 -0.78 -0.03 0.00 -0.60 0.00 0.00 56.93 55.66 1wlk s PHE 83 Cb 0.02 -0.51 0.02 0.00 0.51 0.00 0.00 43.02 43.06 1wlk s PHE 83 CO -0.01 -0.10 -0.02 -1.17 0.70 0.00 0.00 175.22 174.62 1wlk s LEU 84 N -2.64 3.31 -0.14 -0.37 2.96 0.21 -2.92 118.68 119.09 1wlk s LEU 84 Ca 0.06 -0.74 -0.05 0.00 -0.22 0.00 0.00 54.13 53.18 1wlk s LEU 84 Cb 0.01 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 1wlk s LEU 84 CO -0.03 -0.13 0.04 -0.63 -1.32 0.00 0.00 176.35 174.29 1wlk s ILE 85 N 1.40 4.62 -0.11 6.68 1.09 0.22 -1.18 121.20 133.92 1wlk s ILE 85 Ca 0.02 -0.11 0.03 0.00 -1.10 0.00 0.00 60.65 59.49 1wlk s ILE 85 Cb -0.16 -3.02 -0.00 0.00 -1.06 0.00 0.00 42.46 38.21 1wlk s ILE 85 CO -0.02 0.53 -0.21 -0.13 -0.10 0.00 0.00 174.94 175.01 1wlk s ARG 86 N -0.20 3.15 0.31 2.79 0.52 0.10 -0.63 118.95 124.99 1wlk s ARG 86 Ca 0.07 -0.82 -0.15 0.00 -0.52 0.00 0.00 55.73 54.31 1wlk s ARG 86 Cb -0.12 -2.40 0.06 0.00 0.52 0.00 0.00 34.95 33.00 1wlk s ARG 86 CO 0.02 0.19 0.77 0.41 0.02 0.00 0.00 175.30 176.70 1wlk n GLY 87 N 3.53 0.97 3.62 -3.53 0.00 -0.96 -0.06 105.19 108.77 1wlk n GLY 87 Ca -0.19 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.28 1wlk n GLY 87 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wlk s SER 88 N -2.96 5.08 0.14 1.61 1.04 -0.63 -1.52 113.70 116.47 1wlk s SER 88 Ca 0.16 0.05 0.05 0.00 0.48 0.00 0.00 55.95 56.69 1wlk s SER 88 Cb -0.04 -1.54 -0.04 0.00 0.10 0.00 0.00 66.02 64.50 1wlk s SER 88 CO 0.09 0.31 0.10 0.00 0.98 0.00 0.00 173.24 174.73 1wlk s ALA 89 N -0.48 3.52 -0.18 5.32 0.00 0.13 -0.95 121.76 129.13 1wlk s ALA 89 Ca 0.08 -1.18 -0.16 0.00 0.00 0.00 0.00 51.96 50.71 1wlk s ALA 89 Cb -0.12 -1.34 0.05 0.00 0.00 0.00 0.00 23.12 21.71 1wlk s ALA 89 CO 0.02 0.57 0.48 0.00 0.00 0.00 0.00 175.76 176.83 1wlk s ALA 90 N -1.64 -1.19 -0.18 0.00 0.00 -0.49 -4.76 121.76 113.49 1wlk s ALA 90 Ca 0.30 1.40 -0.09 0.00 0.00 0.00 0.00 51.96 53.57 1wlk s ALA 90 Cb -0.11 -0.82 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 1wlk s ALA 90 CO 0.22 -0.23 0.12 -0.06 0.00 0.00 0.00 175.76 175.81 1wlk s PHE 91 N 0.40 3.44 0.03 0.00 0.40 -1.26 -0.28 117.98 120.71 1wlk s PHE 91 Ca -0.01 0.35 0.05 0.00 -0.60 0.00 0.00 56.93 56.72 1wlk s PHE 91 Cb -0.04 -2.09 -0.02 0.00 0.51 0.00 0.00 43.02 41.38 1wlk s PHE 91 CO -0.01 0.39 -0.15 1.03 0.70 0.00 0.00 175.22 177.17 1wlk s ARG 92 N -0.01 1.07 0.00 0.44 1.81 0.52 -4.95 118.95 117.83 1wlk s ARG 92 Ca 0.09 -0.75 0.00 0.00 -1.72 0.00 0.00 55.73 53.36 1wlk s ARG 92 Cb -0.11 -1.09 0.00 0.00 -0.45 0.00 0.00 34.95 33.30 1wlk s ARG 92 CO -0.00 0.28 0.85 0.25 -0.68 0.00 0.00 175.30 175.99 1wlk n THR 93 N 2.05 0.71 -3.59 0.02 -2.24 -1.26 0.08 114.28 110.04 1wlk n THR 93 Ca -0.17 -0.82 -0.09 0.00 -2.27 0.00 0.00 64.05 60.69 1wlk n THR 93 Cb 0.54 0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 1wlk n THR 93 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1wlk s ASP 94 N -0.71 -0.42 0.00 3.42 1.47 -1.26 -4.99 116.67 114.18 1wlk s ASP 94 Ca 0.00 -0.22 0.00 0.00 1.18 0.00 0.00 52.55 53.51 1wlk s ASP 94 Cb 0.00 0.60 0.00 0.00 -0.34 0.00 0.00 42.92 43.18 1wlk s ASP 94 CO 0.00 -1.03 0.00 0.61 0.68 0.00 0.00 175.17 175.43 1wlk n GLY 95 N -0.39 0.70 0.28 2.12 0.00 -1.26 -4.36 105.19 102.28 1wlk n GLY 95 Ca -0.11 -2.15 0.02 0.00 0.00 0.00 0.00 46.02 43.77 1wlk n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wlk h PRO 96 N 0.00 0.52 -0.49 1.61 0.13 -2.02 -2.47 132.00 129.29 1wlk h PRO 96 Ca 0.00 -0.08 -0.08 0.00 -0.87 0.00 0.00 66.00 64.98 1wlk h PRO 96 Cb 0.00 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.02 1wlk h PRO 96 CO 0.00 0.47 0.01 0.93 -0.23 0.00 0.00 178.00 179.18 1wlk h GLU 97 N 0.51 0.85 -0.31 0.86 3.07 -2.00 -2.41 114.58 115.16 1wlk h GLU 97 Ca 0.12 -0.27 -0.04 0.00 -0.50 0.00 0.00 59.36 58.68 1wlk h GLU 97 Cb 0.17 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1wlk h GLU 97 CO -0.01 0.89 0.05 0.35 -1.40 0.00 0.00 179.01 178.89 1wlk h PHE 98 N 0.71 0.54 0.00 4.33 3.57 -1.70 -2.60 116.94 121.79 1wlk h PHE 98 Ca 0.14 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1wlk h PHE 98 Cb 0.50 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 1wlk h PHE 98 CO 0.04 0.59 -0.02 0.93 -2.23 0.00 0.00 178.31 177.62 1wlk h GLU 99 N 0.33 0.00 0.00 1.11 4.39 -1.39 -1.37 114.58 117.65 1wlk h GLU 99 Ca 0.09 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 1wlk h GLU 99 Cb 0.35 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1wlk h GLU 99 CO 0.01 0.02 -0.11 0.00 -1.16 0.00 0.00 179.01 177.77 1wlk h ALA 100 N 1.98 1.30 -0.03 3.43 0.00 -1.02 -2.96 119.26 121.96 1wlk h ALA 100 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1wlk h ALA 100 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1wlk h ALA 100 CO 0.00 0.13 0.00 0.44 0.00 0.00 0.00 179.25 179.83 1wlk n ILE 101 N -3.65 0.48 0.13 0.00 -6.64 -0.59 -4.70 119.36 104.40 1wlk n ILE 101 Ca -0.02 -0.74 0.18 0.00 -1.77 0.00 0.00 62.75 60.41 1wlk n ILE 101 Cb 0.22 0.78 0.77 0.00 -1.44 0.00 0.00 39.64 39.98 1wlk n ILE 101 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1wlk h ALA 102 N 0.39 2.05 -0.36 -1.28 0.00 -1.19 -0.79 119.26 118.07 1wlk h ALA 102 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1wlk h ALA 102 Cb 0.30 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1wlk h ALA 102 CO 0.00 -0.46 0.37 0.07 0.00 0.00 0.00 179.25 179.23 1wlk h ARG 103 N 0.00 0.00 -5.51 0.00 0.11 -1.84 -3.31 114.38 103.84 1wlk h ARG 103 Ca 0.15 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.60 1wlk h ARG 103 Cb 0.75 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 31.69 1wlk h ARG 103 CO -0.00 0.00 0.67 -0.06 0.10 0.00 0.00 179.97 180.67 1wlk s PHE 104 N -4.68 2.68 0.46 4.08 0.40 -0.30 -4.87 117.98 115.75 1wlk s PHE 104 Ca -0.04 -0.61 0.21 0.00 -0.60 0.00 0.00 56.93 55.88 1wlk s PHE 104 Cb 0.16 -4.34 1.20 0.00 0.51 0.00 0.00 43.02 40.55 1wlk s PHE 104 CO 0.57 -1.69 1.90 0.87 0.70 0.00 0.00 175.22 177.58 1wlk h LYS 105 N 9.54 0.26 0.00 0.44 1.79 -1.86 0.43 116.57 127.17 1wlk h LYS 105 Ca -0.21 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1wlk h LYS 105 Cb 1.06 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 1wlk h LYS 105 CO 1.19 0.17 0.00 -2.67 -1.08 0.00 0.00 179.45 177.07 1wlk n TRP 106 N -4.44 0.00 -2.66 -1.35 4.27 -1.26 -4.78 117.44 107.21 1wlk n TRP 106 Ca 0.16 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.34 1wlk n TRP 106 Cb 0.68 -0.23 -0.02 0.00 -1.36 0.00 0.00 31.31 30.38 1wlk n TRP 106 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1wlk s ALA 107 N -2.46 3.58 -0.43 -1.67 0.00 0.14 -4.41 121.76 116.50 1wlk s ALA 107 Ca 0.27 0.02 0.23 0.00 0.00 0.00 0.00 51.96 52.48 1wlk s ALA 107 Cb 0.17 -3.60 0.24 0.00 0.00 0.00 0.00 23.12 19.93 1wlk s ALA 107 CO 0.37 -1.29 1.32 0.07 0.00 0.00 0.00 175.76 176.22 1wlk h ARG 108 N 7.83 0.00 -2.69 0.00 0.11 -0.40 -3.48 114.38 115.75 1wlk h ARG 108 Ca -0.20 0.00 0.11 0.00 0.10 0.00 0.00 59.98 59.99 1wlk h ARG 108 Cb 1.06 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.12 1wlk h ARG 108 CO 1.00 0.00 0.50 0.00 0.10 0.00 0.00 179.97 181.57 1wlk s ALA 109 N -3.25 -1.33 -0.08 0.08 0.00 -1.14 -4.83 121.76 111.20 1wlk s ALA 109 Ca 0.04 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.54 1wlk s ALA 109 Cb 0.10 0.75 -0.00 0.00 0.00 0.00 0.00 23.12 23.96 1wlk s ALA 109 CO 0.73 -1.04 -0.22 0.00 0.00 0.00 0.00 175.76 175.23 1wlk s ALA 110 N -2.11 1.96 -0.38 0.00 0.00 0.11 -0.95 121.76 120.40 1wlk s ALA 110 Ca 0.21 -0.88 -0.16 0.00 0.00 0.00 0.00 51.96 51.13 1wlk s ALA 110 Cb -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.39 1wlk s ALA 110 CO 0.07 0.30 0.40 -1.17 0.00 0.00 0.00 175.76 175.36 1wlk s LEU 111 N 0.22 4.64 -0.26 0.00 2.96 -0.09 -0.35 118.68 125.80 1wlk s LEU 111 Ca -0.13 -0.44 -0.09 0.00 -0.22 0.00 0.00 54.13 53.25 1wlk s LEU 111 Cb -0.16 -2.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 1wlk s LEU 111 CO 0.06 -0.46 0.13 -0.69 -1.32 0.00 0.00 176.35 174.07 1wlk s VAL 112 N 2.08 4.77 -0.32 1.68 1.01 0.62 -0.91 120.40 129.33 1wlk s VAL 112 Ca 0.12 -0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 1wlk s VAL 112 Cb -0.17 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 32.99 1wlk s VAL 112 CO 0.13 0.29 0.07 -0.63 0.00 0.00 0.00 175.10 174.95 1wlk s ILE 113 N 1.68 3.56 -0.43 2.22 1.01 0.10 -1.40 121.20 127.93 1wlk s ILE 113 Ca 0.07 -1.15 -0.24 0.00 0.00 0.00 0.00 60.65 59.33 1wlk s ILE 113 Cb -0.16 -2.99 0.02 0.00 0.01 0.00 0.00 42.46 39.34 1wlk s ILE 113 CO 0.07 -0.12 0.81 -0.89 0.00 0.00 0.00 174.94 174.81 1wlk s THR 114 N 1.37 4.63 0.16 2.92 2.01 -0.12 -0.96 115.64 125.65 1wlk s THR 114 Ca -0.02 0.58 -0.31 0.00 0.31 0.00 0.00 61.69 62.25 1wlk s THR 114 Cb -0.19 -4.32 -0.09 0.00 0.01 0.00 0.00 72.50 67.91 1wlk s THR 114 CO 0.01 -0.68 1.44 -0.69 -0.69 0.00 0.00 174.62 174.01 1wlk s VAL 115 N 3.34 2.97 -0.09 3.82 1.01 -0.90 -1.61 120.40 128.94 1wlk s VAL 115 Ca 0.31 0.73 0.10 0.00 0.00 0.00 0.00 61.98 63.12 1wlk s VAL 115 Cb -0.12 -3.47 -0.14 0.00 0.00 0.00 0.00 36.38 32.65 1wlk s VAL 115 CO 0.22 0.07 0.07 1.33 0.00 0.00 0.00 175.10 176.79 1wlk n VAL 116 N 3.50 0.63 -3.60 2.92 0.24 0.91 -4.96 118.33 117.99 1wlk n VAL 116 Ca 0.11 -0.43 -0.16 0.00 -2.04 0.00 0.00 64.34 61.81 1wlk n VAL 116 Cb 0.41 -0.58 -0.07 0.00 -1.47 0.00 0.00 33.84 32.13 1wlk n VAL 116 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1wlk s SER 117 N -4.19 -0.51 -0.16 -1.34 1.04 -0.93 -5.00 113.70 102.62 1wlk s SER 117 Ca -0.05 0.51 -0.04 0.00 0.48 0.00 0.00 55.95 56.84 1wlk s SER 117 Cb 0.04 0.47 0.07 0.00 0.10 0.00 0.00 66.02 66.70 1wlk s SER 117 CO 0.45 -0.56 0.19 0.00 0.98 0.00 0.00 173.24 174.30 1wlk s ALA 118 N -1.27 -0.18 -0.15 5.32 0.00 -1.26 -0.72 121.76 123.50 1wlk s ALA 118 Ca -0.12 0.35 -0.03 0.00 0.00 0.00 0.00 51.96 52.16 1wlk s ALA 118 Cb -0.02 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 1wlk s ALA 118 CO 0.08 -0.95 -0.05 -1.21 0.00 0.00 0.00 175.76 173.62 1wlk s GLU 119 N 2.30 3.59 -0.68 0.00 2.02 -0.32 -4.94 118.70 120.68 1wlk s GLU 119 Ca 0.05 -0.55 -0.25 0.00 0.02 0.00 0.00 54.97 54.24 1wlk s GLU 119 Cb -0.14 -2.86 0.05 0.00 0.10 0.00 0.00 34.13 31.28 1wlk s GLU 119 CO -0.09 0.26 1.13 -1.14 0.02 0.00 0.00 175.26 175.43 1wlk s GLN 120 N 0.30 3.20 0.00 1.61 0.74 -1.26 -0.62 119.66 123.64 1wlk s GLN 120 Ca -0.05 -0.41 0.29 0.00 0.05 0.00 0.00 55.36 55.25 1wlk s GLN 120 Cb -0.14 -4.17 1.36 0.00 1.10 0.00 0.00 33.01 31.16 1wlk s GLN 120 CO 0.03 -1.92 1.93 0.25 -0.55 0.00 0.00 175.29 175.03 1wlk n THR 121 N 6.23 0.00 -1.80 -0.34 -2.24 -0.72 -4.98 114.28 110.43 1wlk n THR 121 Ca 0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1wlk n THR 121 Cb 0.48 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1wlk n THR 121 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71