#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wfr s LEU 40 N 0.00 4.39 -0.26 2.61 2.01 -1.26 -5.03 118.68 121.13 2wfr s LEU 40 Ca 0.00 -0.36 -0.16 0.00 0.01 0.00 0.00 54.13 53.62 2wfr s LEU 40 Cb 0.00 -2.80 -0.03 0.00 0.01 0.00 0.00 46.19 43.37 2wfr s LEU 40 CO 0.00 -0.97 0.43 -0.69 1.01 0.00 0.00 176.35 176.13 2wfr s VAL 41 N 3.25 5.14 0.43 -1.59 1.01 -1.26 -5.05 120.40 122.33 2wfr s VAL 41 Ca 0.26 0.69 -0.25 0.00 0.00 0.00 0.00 61.98 62.68 2wfr s VAL 41 Cb -0.14 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 2wfr s VAL 41 CO 0.19 0.14 1.31 -2.65 0.00 0.00 0.00 175.10 174.09 2wfr n PRO 42 N 5.35 2.00 -1.89 2.72 -0.02 -1.26 -4.76 135.00 137.15 2wfr n PRO 42 Ca -0.07 0.71 -0.39 0.00 -2.02 0.00 0.00 63.50 61.74 2wfr n PRO 42 Cb 0.50 -2.44 0.02 0.00 -0.02 0.00 0.00 33.50 31.56 2wfr n PRO 42 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wfr s LEU 43 N -1.91 4.01 0.50 2.45 1.02 -0.44 -4.90 118.68 119.41 2wfr s LEU 43 Ca 0.61 2.74 -0.16 0.00 0.02 0.00 0.00 54.13 57.33 2wfr s LEU 43 Cb -0.49 -4.10 -0.08 0.00 0.02 0.00 0.00 46.19 41.53 2wfr s LEU 43 CO 0.58 -1.25 0.96 -0.76 0.02 0.00 0.00 176.35 175.90 2wfr s LEU 44 N -3.04 3.67 0.12 1.79 1.02 -1.26 -4.52 118.68 116.46 2wfr s LEU 44 Ca 0.65 1.54 -0.35 0.00 0.02 0.00 0.00 54.13 55.99 2wfr s LEU 44 Cb -0.40 -4.47 -0.15 0.00 0.02 0.00 0.00 46.19 41.20 2wfr s LEU 44 CO 0.49 -0.55 1.47 0.00 0.02 0.00 0.00 176.35 177.78 2wfr n TYR 45 N -1.48 1.93 -1.12 0.29 9.36 -1.26 -1.00 117.16 123.89 2wfr n TYR 45 Ca 0.06 0.44 -0.04 0.00 3.32 0.00 0.00 57.90 61.68 2wfr n TYR 45 Cb 0.54 -2.45 -0.02 0.00 -0.63 0.00 0.00 39.34 36.79 2wfr n TYR 45 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2wfr n LYS 46 N 3.06 -0.89 -3.04 2.98 4.76 -0.01 -5.01 118.16 120.01 2wfr n LYS 46 Ca 0.18 0.48 -0.38 0.00 -2.87 0.00 0.00 58.31 55.72 2wfr n LYS 46 Cb 0.24 -4.30 -0.06 0.00 -1.84 0.00 0.00 35.03 29.07 2wfr n LYS 46 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2wfr s GLN 47 N -1.71 4.43 0.00 1.97 0.74 -0.17 -4.81 119.66 120.12 2wfr s GLN 47 Ca 0.00 1.04 0.06 0.00 0.05 0.00 0.00 55.36 56.50 2wfr s GLN 47 Cb 0.00 -3.11 -0.02 0.00 1.10 0.00 0.00 33.01 30.98 2wfr s GLN 47 CO 0.00 0.51 -0.18 -0.59 -0.55 0.00 0.00 175.29 174.48 2wfr s PHE 48 N -1.29 1.57 -0.06 1.67 -0.12 -1.26 -0.80 117.98 117.69 2wfr s PHE 48 Ca 0.38 -0.31 -0.00 0.00 -0.05 0.00 0.00 56.93 56.95 2wfr s PHE 48 Cb -0.20 -0.99 0.03 0.00 -0.63 0.00 0.00 43.02 41.22 2wfr s PHE 48 CO 0.24 -0.00 -0.02 0.08 -0.05 0.00 0.00 175.22 175.47 2wfr s VAL 49 N -0.51 0.43 0.85 -2.49 1.01 0.45 -3.44 120.40 116.70 2wfr s VAL 49 Ca 0.06 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 2wfr s VAL 49 Cb -0.07 -0.53 0.10 0.00 0.00 0.00 0.00 36.38 35.88 2wfr s VAL 49 CO -0.00 0.24 1.09 -2.16 0.00 0.00 0.00 175.10 174.27 2wfr s PRO 50 N 1.46 1.63 -0.44 2.72 0.04 -1.26 -1.28 135.00 137.87 2wfr s PRO 50 Ca -0.03 0.96 -0.06 0.00 0.04 0.00 0.00 61.00 61.91 2wfr s PRO 50 Cb -0.13 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.44 2wfr s PRO 50 CO -0.03 -2.02 3.23 0.41 0.04 0.00 0.00 177.00 178.63 2wfr n GLY 51 N -1.15 3.68 3.21 0.56 0.00 -1.22 -4.76 105.19 105.50 2wfr n GLY 51 Ca 0.08 -1.49 -0.16 0.00 0.00 0.00 0.00 46.02 44.45 2wfr n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wfr s VAL 52 N 0.16 1.14 0.52 1.61 -7.23 -1.26 -5.11 120.40 110.22 2wfr s VAL 52 Ca 0.64 -1.66 -0.22 0.00 -1.81 0.00 0.00 61.98 58.93 2wfr s VAL 52 Cb 0.31 -1.42 -0.07 0.00 0.56 0.00 0.00 36.38 35.76 2wfr s VAL 52 CO -0.07 -0.47 1.23 -2.65 -0.31 0.00 0.00 175.10 172.82 2wfr n PRO 53 N 0.59 1.56 -0.33 4.82 -0.02 -1.26 -4.87 135.00 135.49 2wfr n PRO 53 Ca -0.16 0.57 0.03 0.00 -2.02 0.00 0.00 63.50 61.92 2wfr n PRO 53 Cb 0.57 -2.40 0.10 0.00 -0.02 0.00 0.00 33.50 31.75 2wfr n PRO 53 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2wfr h GLU 54 N 1.41 -0.01 -0.22 -0.52 4.81 -1.97 -1.92 114.58 116.16 2wfr h GLU 54 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2wfr h GLU 54 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2wfr h GLU 54 CO 0.56 -0.01 0.00 0.54 -0.73 0.00 0.00 179.01 179.38 2wfr n ARG 55 N -5.56 1.85 -2.12 1.92 1.74 -1.26 -0.53 116.66 112.70 2wfr n ARG 55 Ca 0.13 -1.29 -0.32 0.00 -0.77 0.00 0.00 57.85 55.60 2wfr n ARG 55 Cb 0.45 -1.40 -0.01 0.00 -1.02 0.00 0.00 32.46 30.48 2wfr n ARG 55 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2wfr s THR 56 N -1.71 4.38 0.49 0.55 -4.23 -0.72 -2.22 115.64 112.16 2wfr s THR 56 Ca 0.32 1.01 0.18 0.00 -1.18 0.00 0.00 61.69 62.02 2wfr s THR 56 Cb 0.18 -3.65 0.24 0.00 1.34 0.00 0.00 72.50 70.60 2wfr s THR 56 CO 0.26 -0.78 2.08 -0.07 -0.54 0.00 0.00 174.62 175.57 2wfr h LEU 57 N 0.36 0.00 -1.92 4.79 3.38 -1.88 -1.30 115.31 118.73 2wfr h LEU 57 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2wfr h LEU 57 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2wfr h LEU 57 CO 0.60 0.09 0.00 1.23 0.09 0.00 0.00 178.44 180.46 2wfr h GLY 58 N 0.33 0.00 0.00 0.83 0.00 -1.93 -3.41 103.07 98.89 2wfr h GLY 58 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wfr h GLY 58 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 2wfr n ALA 59 N -2.05 0.00 1.16 3.60 0.00 -0.58 -4.84 120.51 117.81 2wfr n ALA 59 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2wfr n ALA 59 Cb 0.21 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.13 2wfr n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wfr n SER 60 N 0.00 0.42 -0.22 0.00 7.64 0.31 -4.70 113.62 117.07 2wfr n SER 60 Ca 0.00 -0.24 0.03 0.00 1.01 0.00 0.00 58.87 59.67 2wfr n SER 60 Cb 0.00 -0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 63.14 2wfr n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wfr n GLY 61 N 1.41 -1.77 3.75 0.23 0.00 -0.70 -3.78 105.19 104.34 2wfr n GLY 61 Ca 0.10 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.28 2wfr n GLY 61 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wfr s PRO 62 N -1.78 3.22 0.24 1.61 0.02 -0.94 -4.29 135.00 133.09 2wfr s PRO 62 Ca 0.00 2.05 -0.31 0.00 0.02 0.00 0.00 61.00 62.76 2wfr s PRO 62 Cb 0.00 -2.21 -0.13 0.00 0.02 0.00 0.00 34.50 32.18 2wfr s PRO 62 CO 0.00 -1.07 1.56 0.00 -0.33 0.00 0.00 177.00 177.16 2wfr n ALA 63 N -1.04 2.00 1.08 -1.55 0.00 -1.26 -4.86 120.51 114.88 2wfr n ALA 63 Ca 0.10 0.40 0.12 0.00 0.00 0.00 0.00 53.44 54.06 2wfr n ALA 63 Cb 0.47 -2.40 0.13 0.00 0.00 0.00 0.00 19.45 17.64 2wfr n ALA 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wfr n GLU 64 N 2.61 1.45 0.00 0.00 1.02 -1.26 -5.05 120.64 119.41 2wfr n GLU 64 Ca 0.12 -1.13 0.00 0.00 -0.02 0.00 0.00 57.16 56.12 2wfr n GLU 64 Cb 0.34 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 2wfr n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wfr n GLY 65 N 1.37 3.43 3.67 0.62 0.00 -1.26 -5.05 105.19 107.98 2wfr n GLY 65 Ca 0.12 -1.62 -0.47 0.00 0.00 0.00 0.00 46.02 44.04 2wfr n GLY 65 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wfr n ARG 66 N -0.34 2.16 -3.02 1.61 0.63 -1.26 -4.69 116.66 111.75 2wfr n ARG 66 Ca 0.00 0.79 -0.42 0.00 -0.92 0.00 0.00 57.85 57.30 2wfr n ARG 66 Cb 0.00 -2.60 -0.06 0.00 0.45 0.00 0.00 32.46 30.26 2wfr n ARG 66 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2wfr s VAL 67 N 2.59 4.81 0.19 5.15 1.01 0.17 -5.00 120.40 129.33 2wfr s VAL 67 Ca 0.86 0.81 -0.05 0.00 0.00 0.00 0.00 61.98 63.61 2wfr s VAL 67 Cb -0.69 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 31.50 2wfr s VAL 67 CO 0.45 -0.35 0.44 0.00 0.00 0.00 0.00 175.10 175.64 2wfr s ALA 68 N 2.91 3.73 0.30 5.51 0.00 -1.26 -4.83 121.76 128.12 2wfr s ALA 68 Ca 0.29 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 2wfr s ALA 68 Cb -0.14 -2.18 -0.11 0.00 0.00 0.00 0.00 23.12 20.69 2wfr s ALA 68 CO 0.15 0.52 1.59 0.50 0.00 0.00 0.00 175.76 178.52 2wfr s ARG 69 N -2.97 4.12 0.00 0.00 3.52 -1.26 -1.87 118.95 120.48 2wfr s ARG 69 Ca 0.42 2.57 0.00 0.00 -0.13 0.00 0.00 55.73 58.59 2wfr s ARG 69 Cb -0.11 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 2wfr s ARG 69 CO 0.26 -0.62 0.00 0.41 -0.81 0.00 0.00 175.30 174.54 2wfr n GLY 70 N 2.08 0.91 3.93 8.12 0.00 -1.26 -5.04 105.19 113.93 2wfr n GLY 70 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 2wfr n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wfr s SER 71 N -2.93 5.83 0.27 1.61 1.04 -0.78 -5.00 113.70 113.73 2wfr s SER 71 Ca 0.00 0.55 -0.02 0.00 0.48 0.00 0.00 55.95 56.96 2wfr s SER 71 Cb 0.00 -1.73 0.36 0.00 0.10 0.00 0.00 66.02 64.75 2wfr s SER 71 CO 0.00 -0.80 1.80 -0.33 0.98 0.00 0.00 173.24 174.88 2wfr h GLU 72 N 0.17 0.84 0.00 4.02 4.39 -1.96 -2.33 114.58 119.71 2wfr h GLU 72 Ca -0.46 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.02 2wfr h GLU 72 Cb 1.25 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 2wfr h GLU 72 CO 0.59 0.78 -0.15 0.00 -1.16 0.00 0.00 179.01 179.07 2wfr h ARG 73 N 0.80 0.00 -0.49 2.33 3.08 -1.95 -2.35 114.38 115.80 2wfr h ARG 73 Ca 0.17 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 2wfr h ARG 73 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2wfr h ARG 73 CO 0.01 0.15 0.08 0.35 -1.07 0.00 0.00 179.97 179.49 2wfr h PHE 74 N 0.00 0.79 -0.17 3.04 3.57 -1.62 -2.70 116.94 119.85 2wfr h PHE 74 Ca -0.00 -0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.47 2wfr h PHE 74 Cb 0.73 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 2wfr h PHE 74 CO 0.00 0.69 0.22 0.00 -2.23 0.00 0.00 178.31 176.99 2wfr h ARG 75 N 0.73 0.00 0.00 1.11 3.08 -1.37 -1.46 114.38 116.47 2wfr h ARG 75 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2wfr h ARG 75 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2wfr h ARG 75 CO 0.00 0.00 -0.95 -0.44 -1.07 0.00 0.00 179.97 177.51 2wfr h ASP 76 N 0.00 0.00 -3.84 7.04 3.32 -1.60 -3.45 116.42 117.90 2wfr h ASP 76 Ca 0.08 -0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.61 2wfr h ASP 76 Cb 0.52 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.12 2wfr h ASP 76 CO -0.00 0.00 0.57 -0.76 -1.72 0.00 0.00 179.24 177.33 2wfr s LEU 77 N -5.40 4.48 -0.07 1.55 1.43 -0.55 -4.58 118.68 115.53 2wfr s LEU 77 Ca -0.00 2.50 0.03 0.00 -1.03 0.00 0.00 54.13 55.63 2wfr s LEU 77 Cb 0.09 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.68 2wfr s LEU 77 CO 0.78 -0.37 -0.16 -0.69 0.23 0.00 0.00 176.35 176.15 2wfr s VAL 78 N -1.12 1.42 0.21 -1.59 1.01 -0.12 -4.83 120.40 115.38 2wfr s VAL 78 Ca 0.47 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 2wfr s VAL 78 Cb -0.36 -1.27 -0.09 0.00 0.00 0.00 0.00 36.38 34.66 2wfr s VAL 78 CO 0.48 0.42 1.30 -2.16 0.00 0.00 0.00 175.10 175.14 2wfr s PRO 79 N 0.52 4.39 -0.30 2.72 0.04 -1.26 -2.36 135.00 138.76 2wfr s PRO 79 Ca -0.15 2.06 -0.10 0.00 0.04 0.00 0.00 61.00 62.85 2wfr s PRO 79 Cb -0.16 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 2wfr s PRO 79 CO 0.05 -0.23 0.15 1.21 0.04 0.00 0.00 177.00 178.22 2wfr s ASN 80 N 0.23 5.61 -0.24 6.66 3.84 0.19 -4.96 114.94 126.27 2wfr s ASN 80 Ca 0.56 -0.35 0.13 0.00 0.21 0.00 0.00 52.86 53.41 2wfr s ASN 80 Cb -0.37 -2.02 0.55 0.00 -0.55 0.00 0.00 41.25 38.86 2wfr s ASN 80 CO 0.39 -0.14 1.49 -1.22 -2.79 0.00 0.00 177.10 174.84 2wfr n TYR 81 N 5.00 1.21 -1.59 0.43 4.01 -1.26 -4.83 117.16 120.12 2wfr n TYR 81 Ca -0.14 -1.19 -0.57 0.00 -0.16 0.00 0.00 57.90 55.84 2wfr n TYR 81 Cb 0.50 -0.43 -0.08 0.00 -0.31 0.00 0.00 39.34 39.02 2wfr n TYR 81 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2wfr n ASN 82 N -0.72 2.06 0.25 7.72 2.85 -1.26 -4.79 115.26 121.37 2wfr n ASN 82 Ca 0.29 0.87 0.17 0.00 -0.11 0.00 0.00 54.58 55.79 2wfr n ASN 82 Cb 1.02 -1.13 0.81 0.00 1.24 0.00 0.00 39.78 41.72 2wfr n ASN 82 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2wfr h PRO 83 N 8.62 0.00 -0.00 1.20 0.13 -2.04 -1.90 132.00 138.00 2wfr h PRO 83 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2wfr h PRO 83 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2wfr h PRO 83 CO 0.99 0.00 -0.02 -0.25 -0.23 0.00 0.00 178.00 178.49 2wfr n ASP 84 N -2.80 0.18 -4.54 1.44 8.00 -1.26 -4.79 116.55 112.78 2wfr n ASP 84 Ca -0.01 -0.66 -0.34 0.00 0.71 0.00 0.00 54.79 54.50 2wfr n ASP 84 Cb 0.17 -0.11 -0.12 0.00 -0.02 0.00 0.00 41.12 41.04 2wfr n ASP 84 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wfr s ILE 85 N -2.28 3.57 -0.26 0.53 1.01 -0.72 -3.94 121.20 119.12 2wfr s ILE 85 Ca 0.37 -0.52 -0.15 0.00 0.00 0.00 0.00 60.65 60.35 2wfr s ILE 85 Cb 0.21 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 2wfr s ILE 85 CO 0.42 0.58 0.38 -0.63 0.00 0.00 0.00 174.94 175.69 2wfr s ILE 86 N -0.56 5.18 -0.22 2.92 -1.09 -0.21 -4.91 121.20 122.32 2wfr s ILE 86 Ca 0.08 0.60 -0.08 0.00 -2.23 0.00 0.00 60.65 59.02 2wfr s ILE 86 Cb -0.12 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 2wfr s ILE 86 CO 0.02 0.17 0.08 -0.36 -1.23 0.00 0.00 174.94 173.63 2wfr s PHE 87 N 1.93 3.20 0.09 3.97 0.08 -1.26 0.03 117.98 126.01 2wfr s PHE 87 Ca 0.16 -0.05 -0.21 0.00 0.12 0.00 0.00 56.93 56.94 2wfr s PHE 87 Cb -0.16 -2.17 -0.11 0.00 -0.57 0.00 0.00 43.02 40.02 2wfr s PHE 87 CO 0.09 -0.03 1.65 -0.22 -0.10 0.00 0.00 175.22 176.61 2wfr h LYS 88 N 7.36 0.20 -6.79 0.44 3.64 -1.19 -3.47 116.57 116.75 2wfr h LYS 88 Ca -0.37 -0.03 -0.56 0.00 -1.27 0.00 0.00 60.65 58.42 2wfr h LYS 88 Cb 1.17 -0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.84 2wfr h LYS 88 CO 0.65 0.26 -0.93 -3.47 -2.27 0.00 0.00 179.45 173.68 2wfr n ASP 89 N -4.91 -0.02 0.13 4.20 2.03 -1.26 -4.79 116.55 111.92 2wfr n ASP 89 Ca -0.05 -1.15 0.11 0.00 0.52 0.00 0.00 54.79 54.22 2wfr n ASP 89 Cb 0.10 -2.29 0.49 0.00 -0.72 0.00 0.00 41.12 38.69 2wfr n ASP 89 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2wfr n GLU 90 N -4.52 0.18 0.24 -0.67 0.00 -1.26 -0.98 120.64 113.64 2wfr n GLU 90 Ca -0.31 0.44 0.09 0.00 0.00 0.00 0.00 57.16 57.38 2wfr n GLU 90 Cb 0.68 -1.86 0.61 0.00 0.00 0.00 0.00 31.44 30.88 2wfr n GLU 90 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2wfr h GLU 91 N 0.00 0.00 -6.29 3.44 3.07 -1.97 -3.47 114.58 109.36 2wfr h GLU 91 Ca 0.00 0.00 -0.46 0.00 -0.50 0.00 0.00 59.36 58.40 2wfr h GLU 91 Cb 0.32 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 2wfr h GLU 91 CO 0.00 0.17 -0.84 0.09 -1.40 0.00 0.00 179.01 177.03 2wfr n ASN 92 N -3.88 -1.58 0.00 1.42 3.02 -0.15 -4.89 115.26 109.21 2wfr n ASN 92 Ca -0.02 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 2wfr n ASN 92 Cb 0.26 -3.63 0.00 0.00 -0.61 0.00 0.00 39.78 35.81 2wfr n ASN 92 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2wfr n SER 93 N -2.98 0.15 0.00 6.41 3.41 -1.26 -5.02 113.62 114.34 2wfr n SER 93 Ca -0.23 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 2wfr n SER 93 Cb 0.65 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 2wfr n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wfr n GLY 94 N 0.29 1.26 0.21 5.00 0.00 -1.26 -4.94 105.19 105.75 2wfr n GLY 94 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2wfr n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfr h ALA 95 N 0.00 -0.10 0.00 4.61 0.00 -1.95 -2.50 119.26 119.32 2wfr h ALA 95 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2wfr h ALA 95 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2wfr h ALA 95 CO 0.00 -0.62 0.07 -0.44 0.00 0.00 0.00 179.25 178.26 2wfr h ASP 96 N -0.21 0.00 1.52 0.00 3.32 -1.92 -0.68 116.42 118.45 2wfr h ASP 96 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2wfr h ASP 96 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2wfr h ASP 96 CO -0.25 0.00 -0.05 0.03 -1.72 0.00 0.00 179.24 177.25 2wfr h ARG 97 N 0.00 0.00 -5.63 3.56 3.08 -1.77 -3.37 114.38 110.25 2wfr h ARG 97 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 2wfr h ARG 97 Cb 0.14 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.09 2wfr h ARG 97 CO 0.00 0.00 -0.03 -0.51 -1.07 0.00 0.00 179.97 178.36 2wfr s LEU 98 N -4.79 4.18 0.17 3.04 1.43 -0.26 -0.64 118.68 121.81 2wfr s LEU 98 Ca 0.10 0.76 -0.21 0.00 -1.03 0.00 0.00 54.13 53.75 2wfr s LEU 98 Cb 0.11 -2.76 0.05 0.00 0.03 0.00 0.00 46.19 43.63 2wfr s LEU 98 CO 0.62 -0.15 0.56 0.00 0.23 0.00 0.00 176.35 177.61 2wfr s MET 99 N 1.43 1.31 0.80 1.70 0.23 -0.99 -3.43 119.30 120.34 2wfr s MET 99 Ca 0.26 -0.62 -0.11 0.00 -1.03 0.00 0.00 55.69 54.18 2wfr s MET 99 Cb -0.16 0.56 0.07 0.00 -1.53 0.00 0.00 34.83 33.77 2wfr s MET 99 CO 0.10 -0.56 1.09 0.95 -2.03 0.00 0.00 175.02 174.57 2wfr s THR 100 N -3.80 3.18 0.22 3.16 -4.23 -0.07 -0.95 115.64 113.15 2wfr s THR 100 Ca 0.04 0.38 -0.08 0.00 -1.18 0.00 0.00 61.69 60.84 2wfr s THR 100 Cb -0.01 -3.05 0.16 0.00 1.34 0.00 0.00 72.50 70.94 2wfr s THR 100 CO -0.09 -0.50 1.82 -0.33 -0.54 0.00 0.00 174.62 174.98 2wfr h GLU 101 N -1.12 0.74 -0.73 3.99 4.39 -1.91 0.03 114.58 119.96 2wfr h GLU 101 Ca -0.47 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.16 2wfr h GLU 101 Cb 1.26 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.71 2wfr h GLU 101 CO 0.57 0.49 0.36 -0.09 -1.16 0.00 0.00 179.01 179.18 2wfr h ARG 102 N 0.76 1.06 -0.58 2.33 2.43 -1.92 -1.37 114.38 117.08 2wfr h ARG 102 Ca 0.32 -0.15 -0.10 0.00 -0.81 0.00 0.00 59.98 59.24 2wfr h ARG 102 Cb 0.18 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 2wfr h ARG 102 CO -0.18 0.82 -0.01 0.00 -1.51 0.00 0.00 179.97 179.10 2wfr h LYS 104 N 0.92 0.41 -0.68 0.00 3.64 -0.48 0.99 116.57 121.37 2wfr h LYS 104 Ca 0.16 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2wfr h LYS 104 Cb 0.56 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 2wfr h LYS 104 CO 0.03 0.27 0.40 0.93 -2.27 0.00 0.00 179.45 178.82 2wfr h GLU 105 N 0.42 0.93 -0.09 1.90 4.39 -1.24 -1.65 114.58 119.25 2wfr h GLU 105 Ca 0.13 -0.09 -0.24 0.00 0.34 0.00 0.00 59.36 59.50 2wfr h GLU 105 Cb -0.02 -0.19 0.01 0.00 -0.10 0.00 0.00 28.75 28.45 2wfr h GLU 105 CO -0.05 0.67 -0.88 0.00 -1.16 0.00 0.00 179.01 177.60 2wfr h ARG 106 N 0.93 0.74 -0.48 2.33 3.08 -1.35 -2.52 114.38 117.11 2wfr h ARG 106 Ca 0.24 -0.69 -0.08 0.00 0.07 0.00 0.00 59.98 59.53 2wfr h ARG 106 Cb -0.01 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2wfr h ARG 106 CO -0.04 1.28 -0.03 -0.24 -1.07 0.00 0.00 179.97 179.86 2wfr h VAL 107 N 0.45 1.25 -0.55 2.04 3.04 -0.72 -1.31 116.25 120.46 2wfr h VAL 107 Ca -0.09 -1.07 -0.08 0.00 -1.01 0.00 0.00 66.70 64.46 2wfr h VAL 107 Cb 1.52 0.92 -0.02 0.00 -2.01 0.00 0.00 31.29 31.69 2wfr h VAL 107 CO 0.18 0.37 0.03 0.78 -1.01 0.00 0.00 177.57 177.92 2wfr h ASN 108 N 0.76 0.88 -0.51 3.17 2.35 -1.30 -0.95 115.58 119.98 2wfr h ASN 108 Ca 0.14 -0.22 -0.13 0.00 -0.55 0.00 0.00 56.30 55.54 2wfr h ASN 108 Cb 0.50 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2wfr h ASN 108 CO 0.03 0.92 -0.19 0.00 -1.65 0.00 0.00 177.43 176.54 2wfr h ALA 109 N 1.17 0.71 -0.58 -0.83 0.00 -1.19 -2.89 119.26 115.65 2wfr h ALA 109 Ca 0.16 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2wfr h ALA 109 Cb 0.46 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2wfr h ALA 109 CO 0.02 0.68 0.10 1.25 0.00 0.00 0.00 179.25 181.29 2wfr h LEU 110 N 0.88 0.88 -0.82 0.00 5.85 -1.04 -2.43 115.31 118.64 2wfr h LEU 110 Ca 0.12 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.69 2wfr h LEU 110 Cb 0.77 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 2wfr h LEU 110 CO 0.06 0.88 0.52 0.00 -0.34 0.00 0.00 178.44 179.56 2wfr h ALA 111 N 1.23 1.08 -0.41 1.25 0.00 -0.99 -0.24 119.26 121.17 2wfr h ALA 111 Ca 0.18 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2wfr h ALA 111 Cb 0.38 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2wfr h ALA 111 CO 0.01 0.34 -0.13 0.82 0.00 0.00 0.00 179.25 180.28 2wfr h ILE 112 N 1.01 1.28 -0.61 0.00 2.04 -1.30 -2.67 117.51 117.27 2wfr h ILE 112 Ca 0.33 -1.25 -0.07 0.00 1.00 0.00 0.00 64.86 64.86 2wfr h ILE 112 Cb 0.02 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 2wfr h ILE 112 CO -0.12 0.42 0.09 0.00 0.00 0.00 0.00 178.15 178.55 2wfr h ALA 113 N 0.84 0.80 -0.50 1.87 0.00 -0.94 -2.12 119.26 119.21 2wfr h ALA 113 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2wfr h ALA 113 Cb 0.68 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2wfr h ALA 113 CO 0.05 0.56 0.33 0.28 0.00 0.00 0.00 179.25 180.47 2wfr h VAL 114 N 0.91 1.13 -0.63 0.00 2.07 -1.03 0.36 116.25 119.07 2wfr h VAL 114 Ca 0.18 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.47 2wfr h VAL 114 Cb 0.43 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2wfr h VAL 114 CO 0.01 0.13 0.42 0.24 0.02 0.00 0.00 177.57 178.39 2wfr h MET 115 N 0.68 0.80 0.02 1.57 2.07 -1.19 -1.98 114.93 116.89 2wfr h MET 115 Ca 0.18 -0.05 -0.22 0.00 -2.07 0.00 0.00 59.70 57.55 2wfr h MET 115 Cb -0.07 -0.18 -0.03 0.00 -1.87 0.00 0.00 31.60 29.46 2wfr h MET 115 CO -0.04 0.53 -1.05 -0.91 1.07 0.00 0.00 176.91 176.51 2wfr h ASN 116 N 0.82 0.05 -0.05 1.22 2.35 -0.69 -3.33 115.58 115.94 2wfr h ASN 116 Ca 0.24 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 2wfr h ASN 116 Cb -0.04 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2wfr h ASN 116 CO -0.06 1.04 -0.21 -0.03 -1.65 0.00 0.00 177.43 176.52 2wfr h MET 117 N 0.01 0.24 -4.25 0.81 4.05 -0.70 -3.41 114.93 111.68 2wfr h MET 117 Ca -0.03 -0.19 -0.63 0.00 -0.28 0.00 0.00 59.70 58.57 2wfr h MET 117 Cb 1.80 0.04 -0.40 0.00 -0.80 0.00 0.00 31.60 32.24 2wfr h MET 117 CO 0.14 0.82 -0.73 -1.58 0.23 0.00 0.00 176.91 175.79 2wfr s TRP 118 N -3.68 2.97 0.29 1.39 0.51 -0.77 -5.10 118.94 114.55 2wfr s TRP 118 Ca -0.15 -2.51 -0.29 0.00 -2.12 0.00 0.00 56.10 51.02 2wfr s TRP 118 Cb 0.03 -2.46 -0.13 0.00 -0.81 0.00 0.00 33.47 30.10 2wfr s TRP 118 CO 0.75 -0.92 1.26 -0.35 -0.51 0.00 0.00 176.95 177.17 2wfr n PRO 119 N 4.48 1.87 -0.42 4.98 -0.04 -1.25 -1.25 135.00 143.37 2wfr n PRO 119 Ca 0.02 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 2wfr n PRO 119 Cb 0.42 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 2wfr n PRO 119 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wfr n GLY 120 N 1.38 2.01 3.88 0.55 0.00 -1.26 -5.02 105.19 106.73 2wfr n GLY 120 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 2wfr n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wfr s VAL 121 N -3.28 5.38 0.37 1.61 1.01 -0.38 -5.02 120.40 120.09 2wfr s VAL 121 Ca 0.00 0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.33 2wfr s VAL 121 Cb 0.00 -3.50 -0.07 0.00 0.00 0.00 0.00 36.38 32.81 2wfr s VAL 121 CO 0.00 0.54 -0.05 -0.13 0.00 0.00 0.00 175.10 175.46 2wfr s ARG 122 N -1.26 1.87 0.36 2.72 0.52 -1.26 -3.74 118.95 118.15 2wfr s ARG 122 Ca 0.20 -2.00 -0.26 0.00 -0.52 0.00 0.00 55.73 53.14 2wfr s ARG 122 Cb -0.13 -1.65 -0.09 0.00 0.52 0.00 0.00 34.95 33.60 2wfr s ARG 122 CO 0.09 0.06 1.12 -1.17 0.02 0.00 0.00 175.30 175.42 2wfr s LEU 123 N -3.64 4.30 -0.09 2.53 2.96 -1.25 -0.93 118.68 122.55 2wfr s LEU 123 Ca 0.33 2.25 0.01 0.00 -0.22 0.00 0.00 54.13 56.51 2wfr s LEU 123 Cb 0.06 -3.93 0.02 0.00 0.50 0.00 0.00 46.19 42.83 2wfr s LEU 123 CO 0.17 -0.46 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.02 2wfr s ARG 124 N -2.07 1.77 -0.22 1.98 3.52 -0.39 -1.04 118.95 122.50 2wfr s ARG 124 Ca 0.53 -0.41 -0.13 0.00 -0.13 0.00 0.00 55.73 55.60 2wfr s ARG 124 Cb -0.29 -1.57 -0.05 0.00 -1.56 0.00 0.00 34.95 31.49 2wfr s ARG 124 CO 0.37 -0.07 0.26 0.08 -0.81 0.00 0.00 175.30 175.13 2wfr s VAL 125 N 1.01 5.29 -0.06 7.11 1.01 0.10 -1.17 120.40 133.70 2wfr s VAL 125 Ca -0.08 0.42 0.20 0.00 0.00 0.00 0.00 61.98 62.53 2wfr s VAL 125 Cb -0.15 -3.60 -0.31 0.00 0.00 0.00 0.00 36.38 32.32 2wfr s VAL 125 CO -0.01 0.31 0.46 0.35 0.00 0.00 0.00 175.10 176.21 2wfr n THR 126 N 4.22 0.00 -3.70 3.92 -2.24 0.44 -0.65 114.28 116.27 2wfr n THR 126 Ca -0.12 -0.45 -0.13 0.00 -2.27 0.00 0.00 64.05 61.08 2wfr n THR 126 Cb 0.52 0.07 -0.09 0.00 -2.10 0.00 0.00 70.33 68.72 2wfr n THR 126 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wfr s GLU 127 N -3.39 0.55 0.00 -0.78 2.56 -1.20 -4.72 118.70 111.71 2wfr s GLU 127 Ca -0.07 0.72 0.00 0.00 0.00 0.00 0.00 54.97 55.62 2wfr s GLU 127 Cb 0.13 0.23 0.00 0.00 2.00 0.00 0.00 34.13 36.49 2wfr s GLU 127 CO 0.84 -0.08 0.00 0.41 -0.56 0.00 0.00 175.26 175.87 2wfr n GLY 128 N 3.09 3.15 3.73 -1.50 0.00 -1.26 -1.19 105.19 111.21 2wfr n GLY 128 Ca -0.15 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 2wfr n GLY 128 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2wfr s TRP 129 N 2.73 3.32 -0.19 1.61 -0.00 -1.22 -4.67 118.94 120.53 2wfr s TRP 129 Ca 0.00 1.21 0.01 0.00 -0.00 0.00 0.00 56.10 57.32 2wfr s TRP 129 Cb 0.00 -3.55 0.03 0.00 -0.00 0.00 0.00 33.47 29.94 2wfr s TRP 129 CO 0.00 -1.76 -0.17 0.34 -0.00 0.00 0.00 176.95 175.37 2wfr s ASP 130 N 0.61 3.23 0.00 5.86 2.15 -0.79 -4.14 116.67 123.60 2wfr s ASP 130 Ca 0.58 -0.74 0.22 0.00 0.43 0.00 0.00 52.55 53.04 2wfr s ASP 130 Cb -0.34 -1.40 0.46 0.00 -0.30 0.00 0.00 42.92 41.33 2wfr s ASP 130 CO 0.34 -0.05 1.40 1.21 -0.17 0.00 0.00 175.17 177.90 2wfr n GLU 131 N 4.63 2.52 0.00 4.34 2.13 -1.26 -4.44 120.64 128.56 2wfr n GLU 131 Ca -0.19 -2.33 0.00 0.00 0.66 0.00 0.00 57.16 55.31 2wfr n GLU 131 Cb 0.49 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.70 2wfr n GLU 131 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2wfr n ASP 132 N 1.43 0.00 0.00 4.31 8.00 -1.26 -5.06 116.55 123.97 2wfr n ASP 132 Ca 0.20 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.83 2wfr n ASP 132 Cb 0.59 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 2wfr n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wfr n GLY 133 N 1.82 0.50 1.52 0.44 0.00 -1.26 -5.03 105.19 103.18 2wfr n GLY 133 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 45.92 2wfr n GLY 133 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wfr n HIS 134 N 0.00 1.54 -4.25 1.61 8.25 -1.26 -4.92 115.22 116.19 2wfr n HIS 134 Ca 0.00 -0.58 -0.11 0.00 -0.26 0.00 0.00 57.72 56.76 2wfr n HIS 134 Cb 0.00 -0.42 -0.03 0.00 1.12 0.00 0.00 29.99 30.66 2wfr n HIS 134 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2wfr n HIS 135 N 0.36 0.25 -1.32 4.41 8.25 -1.26 -5.15 115.22 120.76 2wfr n HIS 135 Ca 0.21 -1.02 -0.29 0.00 -0.26 0.00 0.00 57.72 56.36 2wfr n HIS 135 Cb 0.96 -0.06 0.13 0.00 1.12 0.00 0.00 29.99 32.14 2wfr n HIS 135 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wfr s ALA 136 N -2.40 1.61 0.62 -1.41 0.00 -1.26 -4.96 121.76 113.96 2wfr s ALA 136 Ca 0.04 -0.22 -0.18 0.00 0.00 0.00 0.00 51.96 51.60 2wfr s ALA 136 Cb 0.00 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 2wfr s ALA 136 CO 0.03 -2.31 1.22 -1.14 0.00 0.00 0.00 175.76 173.56 2wfr s GLN 137 N -5.04 2.83 -0.85 0.00 0.74 -1.26 -2.34 119.66 113.74 2wfr s GLN 137 Ca 0.63 1.84 0.00 0.00 0.05 0.00 0.00 55.36 57.88 2wfr s GLN 137 Cb -0.17 -1.91 0.00 0.00 1.10 0.00 0.00 33.01 32.03 2wfr s GLN 137 CO 0.56 -1.32 0.00 -0.25 -0.55 0.00 0.00 175.29 173.73 2wfr n ASP 138 N -1.77 -2.78 -4.65 6.67 8.00 -1.26 -4.94 116.55 115.82 2wfr n ASP 138 Ca 0.14 0.25 -0.44 0.00 0.71 0.00 0.00 54.79 55.45 2wfr n ASP 138 Cb 0.50 -2.55 -0.02 0.00 -0.02 0.00 0.00 41.12 39.03 2wfr n ASP 138 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2wfr n SER 139 N -0.95 2.29 0.11 -2.24 2.88 -0.99 -4.74 113.62 109.98 2wfr n SER 139 Ca -0.10 1.17 0.13 0.00 -1.33 0.00 0.00 58.87 58.74 2wfr n SER 139 Cb 0.45 -1.40 0.44 0.00 -0.75 0.00 0.00 64.21 62.96 2wfr n SER 139 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2wfr n LEU 140 N 1.45 0.72 0.06 2.46 4.77 -1.26 -2.51 117.00 122.69 2wfr n LEU 140 Ca 0.09 0.60 0.14 0.00 -0.03 0.00 0.00 56.01 56.81 2wfr n LEU 140 Cb 0.33 -0.41 0.63 0.00 -2.33 0.00 0.00 43.42 41.64 2wfr n LEU 140 CO 0.62 -0.29 1.15 0.45 -1.33 0.00 0.00 177.39 177.99 2wfr h HIS 141 N 0.00 0.10 0.00 -1.77 3.86 -1.83 -1.88 115.15 113.62 2wfr h HIS 141 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2wfr h HIS 141 Cb 0.61 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2wfr h HIS 141 CO 0.00 0.05 0.00 0.66 0.86 0.00 0.00 177.93 179.50 2wfr n TYR 142 N -4.45 0.00 -0.39 2.45 4.01 -1.04 -1.88 117.16 115.85 2wfr n TYR 142 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 2wfr n TYR 142 Cb 0.39 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 2wfr n TYR 142 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2wfr n GLU 143 N -1.03 0.92 -1.14 -0.72 1.02 -0.73 0.44 120.64 119.41 2wfr n GLU 143 Ca 0.14 -0.81 -0.05 0.00 -0.02 0.00 0.00 57.16 56.42 2wfr n GLU 143 Cb 0.07 -0.80 -0.02 0.00 -0.02 0.00 0.00 31.44 30.67 2wfr n GLU 143 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wfr n GLY 144 N -0.19 0.75 0.81 0.62 0.00 -1.23 -4.74 105.19 101.22 2wfr n GLY 144 Ca 0.00 -0.67 0.08 0.00 0.00 0.00 0.00 46.02 45.43 2wfr n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wfr n ARG 145 N -2.68 2.15 -3.88 1.61 1.74 -1.11 -0.89 116.66 113.61 2wfr n ARG 145 Ca -0.05 -1.95 -0.11 0.00 -0.77 0.00 0.00 57.85 54.97 2wfr n ARG 145 Cb 0.18 -1.36 -0.10 0.00 -1.02 0.00 0.00 32.46 30.16 2wfr n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wfr s ALA 146 N -1.15 -0.27 0.01 7.54 0.00 -1.23 -1.24 121.76 125.43 2wfr s ALA 146 Ca 0.27 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.07 2wfr s ALA 146 Cb 0.16 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.37 2wfr s ALA 146 CO 0.22 -0.20 -0.03 -0.51 0.00 0.00 0.00 175.76 175.24 2wfr s LEU 147 N -1.35 2.13 -0.18 0.00 1.43 -0.09 -4.34 118.68 116.28 2wfr s LEU 147 Ca -0.14 -0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 52.54 2wfr s LEU 147 Cb -0.08 -0.04 -0.05 0.00 0.03 0.00 0.00 46.19 46.05 2wfr s LEU 147 CO 0.01 -0.12 0.26 -1.81 0.23 0.00 0.00 176.35 174.92 2wfr s ASP 148 N -0.79 6.36 0.12 2.29 1.01 -0.33 -0.46 116.67 124.86 2wfr s ASP 148 Ca -0.07 0.41 0.06 0.00 0.71 0.00 0.00 52.55 53.66 2wfr s ASP 148 Cb -0.05 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.68 2wfr s ASP 148 CO -0.00 0.09 -0.14 0.27 0.21 0.00 0.00 175.17 175.59 2wfr s ILE 149 N 0.63 1.35 0.29 0.77 -4.36 0.40 -0.42 121.20 119.85 2wfr s ILE 149 Ca 0.14 -1.71 -0.00 0.00 -0.26 0.00 0.00 60.65 58.82 2wfr s ILE 149 Cb -0.13 -1.53 -0.02 0.00 1.25 0.00 0.00 42.46 42.03 2wfr s ILE 149 CO 0.03 -0.40 0.31 0.42 0.24 0.00 0.00 174.94 175.54 2wfr s THR 150 N -2.11 0.00 0.53 8.37 -4.23 -0.32 -1.32 115.64 116.56 2wfr s THR 150 Ca 0.09 -1.82 -0.10 0.00 -1.18 0.00 0.00 61.69 58.68 2wfr s THR 150 Cb -0.05 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.24 2wfr s THR 150 CO 0.03 0.00 0.90 0.42 -0.54 0.00 0.00 174.62 175.44 2wfr s THR 151 N -3.62 4.76 0.33 3.99 -4.23 -1.26 -1.26 115.64 114.35 2wfr s THR 151 Ca 0.35 0.68 0.03 0.00 -1.18 0.00 0.00 61.69 61.57 2wfr s THR 151 Cb 0.03 -3.82 0.17 0.00 1.34 0.00 0.00 72.50 70.21 2wfr s THR 151 CO 0.19 -0.88 1.88 0.77 -0.54 0.00 0.00 174.62 176.04 2wfr h SER 152 N 0.30 0.58 0.32 3.99 4.64 -1.32 -0.73 113.55 121.32 2wfr h SER 152 Ca -0.46 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 2wfr h SER 152 Cb 1.19 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2wfr h SER 152 CO 0.62 0.60 0.00 -0.90 -0.87 0.00 0.00 176.83 176.28 2wfr n ASP 153 N -4.30 0.00 -3.58 4.97 5.75 -1.26 -4.89 116.55 113.23 2wfr n ASP 153 Ca 0.03 -0.32 -0.27 0.00 -0.01 0.00 0.00 54.79 54.22 2wfr n ASP 153 Cb 0.21 -0.19 0.01 0.00 -1.03 0.00 0.00 41.12 40.13 2wfr n ASP 153 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wfr n ARG 154 N -1.19 -4.37 -2.69 0.11 1.74 -0.28 -4.90 116.66 105.08 2wfr n ARG 154 Ca 0.15 0.57 -0.42 0.00 -0.77 0.00 0.00 57.85 57.38 2wfr n ARG 154 Cb 0.16 -5.37 -0.03 0.00 -1.02 0.00 0.00 32.46 26.20 2wfr n ARG 154 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2wfr s ASP 155 N -2.97 6.28 0.43 0.55 2.15 -1.26 -4.88 116.67 116.96 2wfr s ASP 155 Ca 0.51 -0.40 0.30 0.00 0.43 0.00 0.00 52.55 53.39 2wfr s ASP 155 Cb -0.26 -2.50 1.31 0.00 -0.30 0.00 0.00 42.92 41.17 2wfr s ASP 155 CO 0.63 -1.53 1.89 0.03 -0.17 0.00 0.00 175.17 176.02 2wfr h ARG 156 N 9.65 0.00 0.00 4.34 3.08 -1.90 -1.15 114.38 128.39 2wfr h ARG 156 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2wfr h ARG 156 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 2wfr h ARG 156 CO 1.19 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 180.18 2wfr n ASN 157 N -2.67 0.00 -0.17 7.04 3.02 -1.26 -2.43 115.26 118.78 2wfr n ASN 157 Ca 0.01 0.24 0.11 0.00 -0.03 0.00 0.00 54.58 54.90 2wfr n ASN 157 Cb 0.22 -0.37 -0.00 0.00 -0.61 0.00 0.00 39.78 39.03 2wfr n ASN 157 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2wfr n LYS 158 N -1.37 0.43 0.12 3.52 5.02 -0.44 -4.63 118.16 120.83 2wfr n LYS 158 Ca 0.06 -0.34 -0.02 0.00 -2.02 0.00 0.00 58.31 55.98 2wfr n LYS 158 Cb 0.14 -1.49 0.13 0.00 -0.02 0.00 0.00 35.03 33.78 2wfr n LYS 158 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2wfr h TYR 159 N 0.84 0.02 -0.50 2.13 -1.99 -1.63 0.70 116.97 116.54 2wfr h TYR 159 Ca 0.00 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 2wfr h TYR 159 Cb 0.58 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.28 2wfr h TYR 159 CO 0.00 0.68 0.31 0.78 -0.00 0.00 0.00 178.16 179.93 2wfr h GLY 160 N 1.97 0.72 1.35 3.88 0.00 -1.80 0.10 103.07 109.28 2wfr h GLY 160 Ca -0.01 -0.29 -0.18 0.00 0.00 0.00 0.00 47.33 46.85 2wfr h GLY 160 CO 0.09 0.29 -0.58 -2.00 0.00 0.00 0.00 176.54 174.33 2wfr h LEU 161 N 0.67 0.76 -0.67 3.11 5.85 -1.74 -1.01 115.31 122.28 2wfr h LEU 161 Ca 0.18 -0.42 0.07 0.00 0.84 0.00 0.00 57.88 58.55 2wfr h LEU 161 Cb -0.02 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.73 2wfr h LEU 161 CO -0.03 1.17 0.35 0.25 -0.34 0.00 0.00 178.44 179.84 2wfr h LEU 162 N 0.51 0.48 -0.59 2.25 5.85 -0.69 0.14 115.31 123.26 2wfr h LEU 162 Ca 0.00 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2wfr h LEU 162 Cb 1.16 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 2wfr h LEU 162 CO 0.12 0.30 0.34 0.00 -0.34 0.00 0.00 178.44 178.86 2wfr h ALA 163 N 1.38 0.75 -0.54 1.25 0.00 -0.86 -0.01 119.26 121.23 2wfr h ALA 163 Ca 0.32 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2wfr h ALA 163 Cb 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2wfr h ALA 163 CO -0.22 0.24 -0.06 -0.09 0.00 0.00 0.00 179.25 179.12 2wfr h ARG 164 N 0.79 0.99 -0.91 0.00 9.65 -0.80 -1.92 114.38 122.18 2wfr h ARG 164 Ca 0.21 -0.35 0.05 0.00 -1.10 0.00 0.00 59.98 58.79 2wfr h ARG 164 Cb 0.00 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.45 2wfr h ARG 164 CO -0.04 1.02 0.59 -0.07 2.80 0.00 0.00 179.97 184.28 2wfr h LEU 165 N 0.86 0.95 -1.05 3.80 3.38 -0.48 -1.50 115.31 121.28 2wfr h LEU 165 Ca 0.14 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2wfr h LEU 165 Cb 0.61 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2wfr h LEU 165 CO 0.04 0.64 0.56 0.00 0.09 0.00 0.00 178.44 179.77 2wfr h ALA 166 N 1.48 1.30 -0.31 1.53 0.00 -0.35 0.72 119.26 123.63 2wfr h ALA 166 Ca 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2wfr h ALA 166 Cb 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2wfr h ALA 166 CO -0.12 0.62 0.14 0.28 0.00 0.00 0.00 179.25 180.16 2wfr h VAL 167 N 1.23 1.17 0.00 0.00 2.07 -0.62 -1.91 116.25 118.19 2wfr h VAL 167 Ca 0.32 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2wfr h VAL 167 Cb -0.08 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2wfr h VAL 167 CO -0.06 0.18 -0.06 -0.33 0.02 0.00 0.00 177.57 177.31 2wfr h GLU 168 N 0.36 0.00 0.00 1.57 4.39 -0.82 -1.08 114.58 118.99 2wfr h GLU 168 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2wfr h GLU 168 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2wfr h GLU 168 CO -0.01 0.06 0.00 0.00 -1.16 0.00 0.00 179.01 177.90 2wfr n ALA 169 N -2.13 2.18 0.00 3.43 0.00 0.20 -4.92 120.51 119.28 2wfr n ALA 169 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2wfr n ALA 169 Cb 0.36 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2wfr n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wfr n GLY 170 N 1.15 1.10 3.77 0.00 0.00 -0.41 -4.66 105.19 106.14 2wfr n GLY 170 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2wfr n GLY 170 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wfr s PHE 171 N -2.00 2.92 -0.16 1.61 0.08 -0.74 -4.90 117.98 114.80 2wfr s PHE 171 Ca 0.00 1.36 0.22 0.00 0.12 0.00 0.00 56.93 58.63 2wfr s PHE 171 Cb 0.00 -3.76 0.53 0.00 -0.57 0.00 0.00 43.02 39.22 2wfr s PHE 171 CO 0.00 -2.13 1.66 -0.44 -0.10 0.00 0.00 175.22 174.21 2wfr h ASP 172 N 3.23 0.00 -3.62 1.36 3.32 -1.44 -3.44 116.42 115.83 2wfr h ASP 172 Ca -0.49 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.37 2wfr h ASP 172 Cb 1.23 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.50 2wfr h ASP 172 CO 0.65 0.20 -0.47 0.86 -1.72 0.00 0.00 179.24 178.75 2wfr s TRP 173 N -3.30 -0.27 -0.04 4.55 -0.00 -0.93 -4.16 118.94 114.79 2wfr s TRP 173 Ca 0.04 0.66 0.01 0.00 -0.00 0.00 0.00 56.10 56.81 2wfr s TRP 173 Cb 0.07 0.06 0.02 0.00 -0.00 0.00 0.00 33.47 33.63 2wfr s TRP 173 CO 0.67 -0.16 -0.05 0.08 -0.00 0.00 0.00 176.95 177.49 2wfr s VAL 174 N 0.60 0.56 -0.06 5.86 1.01 -0.41 -0.78 120.40 127.18 2wfr s VAL 174 Ca -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 2wfr s VAL 174 Cb -0.05 -0.58 0.03 0.00 0.00 0.00 0.00 36.38 35.78 2wfr s VAL 174 CO -0.03 0.23 0.02 -0.47 0.00 0.00 0.00 175.10 174.84 2wfr s TYR 175 N 0.91 0.48 -1.31 5.22 5.04 0.45 -0.41 117.35 127.73 2wfr s TYR 175 Ca -0.11 -0.04 -0.15 0.00 -2.44 0.00 0.00 57.07 54.33 2wfr s TYR 175 Cb -0.14 -0.68 0.11 0.00 0.35 0.00 0.00 41.96 41.59 2wfr s TYR 175 CO 0.00 -0.27 1.78 0.98 -1.34 0.00 0.00 175.55 176.70 2wfr n TYR 176 N 5.10 4.24 0.10 4.97 4.19 0.02 -0.92 117.16 134.86 2wfr n TYR 176 Ca -0.08 -3.00 -0.05 0.00 3.31 0.00 0.00 57.90 58.08 2wfr n TYR 176 Cb 0.50 -2.39 0.06 0.00 0.49 0.00 0.00 39.34 38.00 2wfr n TYR 176 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 2wfr h GLU 177 N 6.83 0.11 -3.39 2.98 4.22 -1.85 0.01 114.58 123.48 2wfr h GLU 177 Ca 0.43 -0.10 -0.01 0.00 0.08 0.00 0.00 59.36 59.75 2wfr h GLU 177 Cb 0.78 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.98 2wfr h GLU 177 CO 1.52 0.82 0.01 -1.54 -2.18 0.00 0.00 179.01 177.63 2wfr s SER 178 N -6.86 -0.17 0.63 1.04 1.04 -1.16 -4.85 113.70 103.36 2wfr s SER 178 Ca -0.02 -0.73 0.38 0.00 0.48 0.00 0.00 55.95 56.05 2wfr s SER 178 Cb 0.11 0.62 2.11 0.00 0.10 0.00 0.00 66.02 68.96 2wfr s SER 178 CO 0.80 -1.17 2.30 0.03 0.98 0.00 0.00 173.24 176.18 2wfr h ARG 179 N 2.18 0.00 0.00 4.02 2.47 -2.00 -3.04 114.38 118.01 2wfr h ARG 179 Ca -0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 2wfr h ARG 179 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 2wfr h ARG 179 CO 0.33 0.01 -0.52 -0.91 0.56 0.00 0.00 179.97 179.44 2wfr h ASN 180 N 0.00 0.00 -4.51 7.04 2.35 -1.97 -3.46 115.58 115.02 2wfr h ASN 180 Ca -0.00 -0.06 0.17 0.00 -0.55 0.00 0.00 56.30 55.85 2wfr h ASN 180 Cb 0.04 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 38.25 2wfr h ASN 180 CO 0.00 0.03 0.62 -1.38 -1.65 0.00 0.00 177.43 175.05 2wfr s HIS 181 N -3.23 -0.26 -0.16 1.19 -3.43 -1.15 -4.84 115.29 103.41 2wfr s HIS 181 Ca 0.05 0.15 -0.06 0.00 -0.80 0.00 0.00 55.06 54.40 2wfr s HIS 181 Cb 0.10 0.53 -0.04 0.00 -1.43 0.00 0.00 32.58 31.74 2wfr s HIS 181 CO 0.72 -0.42 0.05 0.08 -2.00 0.00 0.00 174.74 173.17 2wfr s VAL 182 N -2.85 4.72 -0.17 -5.38 1.01 -0.44 -2.99 120.40 114.30 2wfr s VAL 182 Ca 0.07 -0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 2wfr s VAL 182 Cb -0.01 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 2wfr s VAL 182 CO -0.07 0.51 0.31 -2.28 0.00 0.00 0.00 175.10 173.56 2wfr s HIS 183 N -0.01 3.44 0.02 5.22 2.46 -0.10 -0.45 115.29 125.87 2wfr s HIS 183 Ca 0.06 0.59 0.05 0.00 0.47 0.00 0.00 55.06 56.22 2wfr s HIS 183 Cb -0.12 -2.37 -0.02 0.00 -0.13 0.00 0.00 32.58 29.94 2wfr s HIS 183 CO 0.01 0.19 -0.14 0.14 -2.47 0.00 0.00 174.74 172.47 2wfr s VAL 184 N 0.63 1.08 0.28 0.89 -7.23 0.39 -0.41 120.40 116.03 2wfr s VAL 184 Ca 0.17 -0.82 -0.04 0.00 -1.81 0.00 0.00 61.98 59.47 2wfr s VAL 184 Cb -0.13 -0.95 -0.01 0.00 0.56 0.00 0.00 36.38 35.85 2wfr s VAL 184 CO 0.05 0.12 0.38 -0.94 -0.31 0.00 0.00 175.10 174.40 2wfr s SER 185 N -0.81 0.53 0.05 4.85 1.04 0.04 -0.91 113.70 118.49 2wfr s SER 185 Ca 0.03 -1.33 -0.01 0.00 0.48 0.00 0.00 55.95 55.12 2wfr s SER 185 Cb -0.07 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 2wfr s SER 185 CO 0.01 -1.14 -0.03 0.68 0.98 0.00 0.00 173.24 173.74 2wfr s VAL 186 N -3.60 0.23 0.74 5.02 -7.23 -0.37 -1.08 120.40 114.11 2wfr s VAL 186 Ca 0.31 -1.64 -0.14 0.00 -1.81 0.00 0.00 61.98 58.70 2wfr s VAL 186 Cb 0.01 -1.28 0.04 0.00 0.56 0.00 0.00 36.38 35.72 2wfr s VAL 186 CO 0.16 -0.89 1.19 -0.54 -0.31 0.00 0.00 175.10 174.71 2wfr s LYS 187 N -3.42 2.11 0.40 4.82 1.02 -1.25 -4.81 119.74 118.62 2wfr s LYS 187 Ca 0.03 1.69 -0.26 0.00 0.02 0.00 0.00 55.97 57.44 2wfr s LYS 187 Cb 0.04 -1.84 -0.09 0.00 -0.52 0.00 0.00 37.83 35.43 2wfr s LYS 187 CO -0.08 -1.84 1.28 0.00 -0.92 0.00 0.00 175.35 173.79 2wfr s ALA 188 N -2.10 3.26 0.38 5.17 0.00 -1.26 -4.90 121.76 122.31 2wfr s ALA 188 Ca 0.73 1.19 0.06 0.00 0.00 0.00 0.00 51.96 53.94 2wfr s ALA 188 Cb -0.27 -3.47 0.77 0.00 0.00 0.00 0.00 23.12 20.14 2wfr s ALA 188 CO 0.46 -0.77 2.00 -0.44 0.00 0.00 0.00 175.76 177.01 2wfr h ASP 189 N 2.72 0.49 -0.31 0.00 3.32 -1.99 -2.21 116.42 118.44 2wfr h ASP 189 Ca -0.49 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.51 2wfr h ASP 189 Cb 1.24 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 2wfr h ASP 189 CO 0.63 0.42 0.00 0.59 -1.72 0.00 0.00 179.24 179.16 2wfr n ASN 190 N -4.41 4.11 -4.76 6.45 4.13 -1.26 -4.60 115.26 114.91 2wfr n ASN 190 Ca 0.03 -3.04 -0.34 0.00 1.68 0.00 0.00 54.58 52.91 2wfr n ASN 190 Cb 0.12 -0.57 0.05 0.00 -1.54 0.00 0.00 39.78 37.83 2wfr n ASN 190 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2wfr s SER 191 N -1.79 5.01 0.26 6.41 1.04 -0.83 -4.89 113.70 118.91 2wfr s SER 191 Ca 0.44 2.14 -0.03 0.00 0.48 0.00 0.00 55.95 58.99 2wfr s SER 191 Cb 0.36 -2.57 0.41 0.00 0.10 0.00 0.00 66.02 64.31 2wfr s SER 191 CO 0.10 -1.70 1.86 0.25 0.98 0.00 0.00 173.24 174.72 2wfr h LEU 192 N 0.22 0.92 -0.48 2.42 5.85 -1.94 -2.20 115.31 120.10 2wfr h LEU 192 Ca -0.48 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.31 2wfr h LEU 192 Cb 1.26 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 2wfr h LEU 192 CO 0.54 0.57 0.23 0.00 -0.34 0.00 0.00 178.44 179.43 2wfr h ALA 193 N 1.45 0.61 -0.11 1.25 0.00 -1.92 -0.83 119.26 119.71 2wfr h ALA 193 Ca 0.42 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 2wfr h ALA 193 Cb 0.24 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2wfr h ALA 193 CO -0.20 -0.13 -0.05 0.28 0.00 0.00 0.00 179.25 179.15 2wfr h VAL 194 N 0.45 1.31 -0.47 0.00 2.07 -1.70 -0.16 116.25 117.75 2wfr h VAL 194 Ca 0.21 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.70 2wfr h VAL 194 Cb 0.14 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 2wfr h VAL 194 CO -0.16 0.30 0.27 0.11 0.02 0.00 0.00 177.57 178.11 2wfr h LYS 195 N -0.12 0.53 -0.62 1.57 1.57 -1.22 -2.39 116.57 115.90 2wfr h LYS 195 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2wfr h LYS 195 Cb 0.50 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2wfr h LYS 195 CO 0.02 0.35 0.00 1.28 -0.57 0.00 0.00 179.45 180.53 2wfr n LEU 196 N -4.83 3.68 -0.24 2.94 4.77 -0.33 -4.49 117.00 118.49 2wfr n LEU 196 Ca 0.03 -1.85 0.22 0.00 -0.03 0.00 0.00 56.01 54.37 2wfr n LEU 196 Cb 0.08 -0.48 0.56 0.00 -2.33 0.00 0.00 43.42 41.24 2wfr n LEU 196 CO 0.32 0.70 1.23 -0.08 -1.33 0.00 0.00 177.39 178.23 2wfr h GLU 197 N 3.32 0.31 0.00 3.23 4.81 -0.47 -0.99 114.58 124.79 2wfr h GLU 197 Ca 0.00 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2wfr h GLU 197 Cb 1.09 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 2wfr h GLU 197 CO 0.14 0.21 -0.14 1.12 -0.73 0.00 0.00 179.01 179.60 2wfr h HIS 198 N 0.32 0.00 0.00 0.92 2.07 -1.81 -1.88 115.15 114.77 2wfr h HIS 198 Ca 0.48 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.99 2wfr h HIS 198 Cb 1.33 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.31 2wfr h HIS 198 CO -0.00 0.14 -0.05 0.45 -3.07 0.00 0.00 177.93 175.39 2wfr h HIS 199 N 0.00 0.00 -0.33 6.12 3.86 -1.53 -2.70 115.15 120.57 2wfr h HIS 199 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2wfr h HIS 199 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 2wfr h HIS 199 CO 0.00 0.05 0.00 0.72 0.86 0.00 0.00 177.93 179.56 2wfr n HIS 200 N -4.05 0.42 -4.13 2.45 8.25 -0.72 -4.87 115.22 112.57 2wfr n HIS 200 Ca -0.03 -0.24 -0.35 0.00 -0.26 0.00 0.00 57.72 56.85 2wfr n HIS 200 Cb 0.14 -0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.11 2wfr n HIS 200 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2wfr s HIS 201 N -1.38 2.96 0.00 4.41 3.76 -1.02 -5.09 115.29 118.93 2wfr s HIS 201 Ca 0.33 -0.73 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 2wfr s HIS 201 Cb 0.20 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.84 2wfr s HIS 201 CO 0.28 -0.38 0.00 0.72 -0.85 0.00 0.00 174.74 174.50 2wfr n HIS 202 N 4.36 0.00 -1.90 1.40 8.25 -1.26 -4.92 115.22 121.16 2wfr n HIS 202 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 2wfr n HIS 202 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 2wfr n HIS 202 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59