#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wg3 n LEU 40 N 0.00 2.01 -4.44 0.00 4.77 -1.26 -4.94 117.00 113.13 2wg3 n LEU 40 Ca 0.00 1.11 -0.37 0.00 -0.03 0.00 0.00 56.01 56.72 2wg3 n LEU 40 Cb 0.00 -1.25 -0.12 0.00 -2.33 0.00 0.00 43.42 39.71 2wg3 n LEU 40 CO 0.00 -0.87 -0.27 -0.69 -1.33 0.00 0.00 177.39 174.23 2wg3 s VAL 41 N 0.55 4.34 0.68 4.08 1.01 -1.26 -5.08 120.40 124.72 2wg3 s VAL 41 Ca 0.82 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 62.43 2wg3 s VAL 41 Cb -0.88 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2wg3 s VAL 41 CO 0.45 0.30 1.27 -2.65 0.00 0.00 0.00 175.10 174.48 2wg3 n PRO 42 N 4.93 0.93 -2.17 2.72 -0.02 -1.26 -4.77 135.00 135.36 2wg3 n PRO 42 Ca -0.16 0.38 -0.38 0.00 -2.02 0.00 0.00 63.50 61.32 2wg3 n PRO 42 Cb 0.51 -2.51 -0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2wg3 n PRO 42 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wg3 s LEU 43 N -4.57 4.07 0.64 2.45 1.02 0.29 -4.91 118.68 117.67 2wg3 s LEU 43 Ca 0.81 2.43 -0.15 0.00 0.02 0.00 0.00 54.13 57.24 2wg3 s LEU 43 Cb -0.36 -4.14 -0.01 0.00 0.02 0.00 0.00 46.19 41.70 2wg3 s LEU 43 CO 0.42 -0.93 1.09 -0.76 0.02 0.00 0.00 176.35 176.19 2wg3 s LEU 44 N -2.86 3.41 -0.00 1.79 1.43 -1.26 -4.57 118.68 116.63 2wg3 s LEU 44 Ca 0.62 1.90 -0.35 0.00 -1.03 0.00 0.00 54.13 55.26 2wg3 s LEU 44 Cb -0.32 -4.54 -0.14 0.00 0.03 0.00 0.00 46.19 41.22 2wg3 s LEU 44 CO 0.40 -1.44 1.66 0.00 0.23 0.00 0.00 176.35 177.19 2wg3 n TYR 45 N -2.32 2.12 -1.16 0.29 9.36 -1.26 -0.80 117.16 123.38 2wg3 n TYR 45 Ca 0.09 0.29 -0.05 0.00 3.32 0.00 0.00 57.90 61.55 2wg3 n TYR 45 Cb 0.52 -2.53 -0.02 0.00 -0.63 0.00 0.00 39.34 36.68 2wg3 n TYR 45 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2wg3 n LYS 46 N 4.58 -0.96 -2.53 2.98 4.76 -0.40 -5.01 118.16 121.59 2wg3 n LYS 46 Ca 0.21 0.58 -0.33 0.00 -2.87 0.00 0.00 58.31 55.89 2wg3 n LYS 46 Cb 0.25 -4.48 -0.04 0.00 -1.84 0.00 0.00 35.03 28.92 2wg3 n LYS 46 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2wg3 s GLN 47 N -1.99 3.88 0.04 1.97 0.74 0.02 -4.85 119.66 119.46 2wg3 s GLN 47 Ca 0.00 1.21 0.04 0.00 0.05 0.00 0.00 55.36 56.66 2wg3 s GLN 47 Cb 0.00 -2.12 -0.02 0.00 1.10 0.00 0.00 33.01 31.97 2wg3 s GLN 47 CO 0.00 -0.35 -0.11 -0.59 -0.55 0.00 0.00 175.29 173.69 2wg3 s PHE 48 N -2.20 0.96 -0.05 1.67 -0.71 -1.26 -1.80 117.98 114.58 2wg3 s PHE 48 Ca 0.64 -0.39 -0.01 0.00 -1.04 0.00 0.00 56.93 56.13 2wg3 s PHE 48 Cb -0.13 -0.56 0.03 0.00 -1.21 0.00 0.00 43.02 41.14 2wg3 s PHE 48 CO 0.22 -0.00 0.01 0.08 -1.34 0.00 0.00 175.22 174.19 2wg3 s VAL 49 N -1.03 0.25 1.00 -2.49 1.01 -0.03 -3.41 120.40 115.70 2wg3 s VAL 49 Ca -0.03 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 2wg3 s VAL 49 Cb -0.08 -0.40 0.19 0.00 0.00 0.00 0.00 36.38 36.08 2wg3 s VAL 49 CO 0.01 0.22 1.08 -2.16 0.00 0.00 0.00 175.10 174.25 2wg3 s PRO 50 N 1.73 0.43 -1.51 2.72 0.04 -1.26 -1.60 135.00 135.55 2wg3 s PRO 50 Ca 0.01 0.71 -0.12 0.00 0.04 0.00 0.00 61.00 61.64 2wg3 s PRO 50 Cb -0.13 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 2wg3 s PRO 50 CO -0.04 -2.78 2.57 0.41 0.04 0.00 0.00 177.00 177.21 2wg3 n GLY 51 N -0.68 4.26 3.28 0.56 0.00 -1.22 -4.84 105.19 106.55 2wg3 n GLY 51 Ca 0.06 -1.52 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 2wg3 n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wg3 s VAL 52 N 2.76 0.05 0.51 1.61 -7.23 -1.26 -5.12 120.40 111.72 2wg3 s VAL 52 Ca 0.58 -0.45 -0.22 0.00 -1.81 0.00 0.00 61.98 60.08 2wg3 s VAL 52 Cb 0.16 -0.74 -0.07 0.00 0.56 0.00 0.00 36.38 36.29 2wg3 s VAL 52 CO -0.07 -0.25 1.19 -2.65 -0.31 0.00 0.00 175.10 173.01 2wg3 n PRO 53 N 1.04 1.50 -0.35 4.82 -0.02 -1.26 -4.87 135.00 135.85 2wg3 n PRO 53 Ca -0.21 0.55 0.10 0.00 -2.02 0.00 0.00 63.50 61.92 2wg3 n PRO 53 Cb 0.57 -2.35 0.28 0.00 -0.02 0.00 0.00 33.50 31.98 2wg3 n PRO 53 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2wg3 h GLU 54 N 1.36 0.87 -0.59 -0.52 4.81 -1.96 -1.09 114.58 117.47 2wg3 h GLU 54 Ca -0.49 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2wg3 h GLU 54 Cb 1.32 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2wg3 h GLU 54 CO 0.56 0.57 0.00 0.54 -0.73 0.00 0.00 179.01 179.95 2wg3 n ARG 55 N -4.66 2.59 -2.07 1.92 1.74 -1.26 -1.68 116.66 113.24 2wg3 n ARG 55 Ca 0.20 -1.64 -0.40 0.00 -0.77 0.00 0.00 57.85 55.24 2wg3 n ARG 55 Cb 0.44 -1.63 -0.01 0.00 -1.02 0.00 0.00 32.46 30.23 2wg3 n ARG 55 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2wg3 s THR 56 N -1.72 2.63 0.47 0.55 2.01 -0.41 -3.18 115.64 115.98 2wg3 s THR 56 Ca 0.29 0.61 0.13 0.00 0.31 0.00 0.00 61.69 63.04 2wg3 s THR 56 Cb 0.19 -3.38 0.24 0.00 0.01 0.00 0.00 72.50 69.55 2wg3 s THR 56 CO 0.14 0.13 2.07 -0.07 -0.69 0.00 0.00 174.62 176.20 2wg3 h LEU 57 N 3.15 0.10 -1.89 4.42 3.38 -1.89 0.78 115.31 123.36 2wg3 h LEU 57 Ca -0.49 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 2wg3 h LEU 57 Cb 1.23 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2wg3 h LEU 57 CO 0.64 0.14 -0.13 1.23 0.09 0.00 0.00 178.44 180.42 2wg3 h GLY 58 N 0.29 0.00 0.00 0.83 0.00 -1.93 -3.42 103.07 98.85 2wg3 h GLY 58 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2wg3 h GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2wg3 n ALA 59 N -2.37 0.00 0.87 3.60 0.00 0.22 -4.94 120.51 117.89 2wg3 n ALA 59 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.53 2wg3 n ALA 59 Cb 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.67 2wg3 n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wg3 n SER 60 N 0.00 0.75 0.00 0.00 7.64 -0.67 -4.75 113.62 116.58 2wg3 n SER 60 Ca 0.00 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.28 2wg3 n SER 60 Cb 0.00 0.82 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 2wg3 n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wg3 n GLY 61 N 1.46 -0.49 3.77 0.23 0.00 -0.90 -3.83 105.19 105.44 2wg3 n GLY 61 Ca 0.04 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 2wg3 n GLY 61 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wg3 s PRO 62 N -1.48 2.62 0.35 1.61 0.02 -1.19 -4.09 135.00 132.84 2wg3 s PRO 62 Ca 0.00 1.33 -0.27 0.00 0.02 0.00 0.00 61.00 62.08 2wg3 s PRO 62 Cb 0.00 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.50 2wg3 s PRO 62 CO 0.00 -1.38 1.17 0.00 -0.33 0.00 0.00 177.00 176.46 2wg3 s ALA 63 N -2.51 3.29 -1.37 -1.55 0.00 -1.26 -4.88 121.76 113.47 2wg3 s ALA 63 Ca 0.65 0.99 0.11 0.00 0.00 0.00 0.00 51.96 53.71 2wg3 s ALA 63 Cb -0.20 -3.38 0.08 0.00 0.00 0.00 0.00 23.12 19.63 2wg3 s ALA 63 CO 0.46 -0.43 0.84 0.39 0.00 0.00 0.00 175.76 177.03 2wg3 n GLU 64 N 0.52 0.65 0.00 0.00 1.02 -1.26 -5.09 120.64 116.49 2wg3 n GLU 64 Ca 0.02 -1.13 0.00 0.00 -0.02 0.00 0.00 57.16 56.03 2wg3 n GLU 64 Cb 0.45 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 2wg3 n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wg3 n GLY 65 N 0.65 3.31 3.71 0.62 0.00 -1.26 -5.05 105.19 107.16 2wg3 n GLY 65 Ca 0.06 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 2wg3 n GLY 65 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wg3 s ARG 66 N -3.05 4.18 -0.32 1.61 3.52 -1.26 -4.71 118.95 118.92 2wg3 s ARG 66 Ca 0.00 2.46 -0.16 0.00 -0.13 0.00 0.00 55.73 57.90 2wg3 s ARG 66 Cb 0.00 -3.21 -0.02 0.00 -1.56 0.00 0.00 34.95 30.17 2wg3 s ARG 66 CO 0.00 -0.69 0.41 0.08 -0.81 0.00 0.00 175.30 174.29 2wg3 s VAL 67 N 1.43 5.12 -0.13 7.11 1.01 0.50 -5.02 120.40 130.44 2wg3 s VAL 67 Ca 0.73 0.32 -0.04 0.00 0.00 0.00 0.00 61.98 63.00 2wg3 s VAL 67 Cb -0.46 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2wg3 s VAL 67 CO 0.32 -0.04 0.01 0.00 0.00 0.00 0.00 175.10 175.38 2wg3 s ALA 68 N 2.15 3.24 -0.31 5.51 0.00 -1.26 -4.80 121.76 126.28 2wg3 s ALA 68 Ca 0.15 -0.79 -0.44 0.00 0.00 0.00 0.00 51.96 50.88 2wg3 s ALA 68 Cb -0.16 -1.61 -0.20 0.00 0.00 0.00 0.00 23.12 21.16 2wg3 s ALA 68 CO 0.11 0.39 1.38 -2.13 0.00 0.00 0.00 175.76 175.52 2wg3 n ARG 69 N 2.86 0.00 0.00 0.00 0.63 -1.26 -2.11 116.66 116.77 2wg3 n ARG 69 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 2wg3 n ARG 69 Cb 0.53 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.96 2wg3 n ARG 69 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wg3 n GLY 70 N 3.03 0.59 3.99 5.14 0.00 -1.26 -5.10 105.19 111.58 2wg3 n GLY 70 Ca 0.27 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 2wg3 n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wg3 s SER 71 N -2.02 5.01 0.09 1.61 1.04 -0.90 -4.99 113.70 113.53 2wg3 s SER 71 Ca 0.00 -0.22 -0.36 0.00 0.48 0.00 0.00 55.95 55.85 2wg3 s SER 71 Cb 0.00 -0.50 -0.17 0.00 0.10 0.00 0.00 66.02 65.45 2wg3 s SER 71 CO 0.00 -1.35 1.56 -0.33 0.98 0.00 0.00 173.24 174.10 2wg3 h GLU 72 N -0.06 -0.97 0.00 4.02 4.39 -1.99 -2.60 114.58 117.37 2wg3 h GLU 72 Ca -0.39 0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.37 2wg3 h GLU 72 Cb 1.29 0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 30.16 2wg3 h GLU 72 CO 0.47 -0.65 -0.04 0.00 -1.16 0.00 0.00 179.01 177.63 2wg3 h ARG 73 N -1.01 0.00 -0.34 2.33 3.08 -1.96 0.11 114.38 116.59 2wg3 h ARG 73 Ca -0.06 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 2wg3 h ARG 73 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 2wg3 h ARG 73 CO -0.07 0.04 -0.27 0.35 -1.07 0.00 0.00 179.97 178.95 2wg3 h PHE 74 N 0.00 0.92 0.00 3.04 3.57 -1.79 -2.81 116.94 119.87 2wg3 h PHE 74 Ca -0.00 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.24 2wg3 h PHE 74 Cb 0.16 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.70 2wg3 h PHE 74 CO 0.00 1.02 0.00 -2.13 -2.23 0.00 0.00 178.31 174.97 2wg3 n ARG 75 N -4.23 0.33 -0.08 1.11 0.63 0.35 -1.16 116.66 113.62 2wg3 n ARG 75 Ca -0.03 0.08 0.09 0.00 -0.92 0.00 0.00 57.85 57.07 2wg3 n ARG 75 Cb 0.47 -1.50 0.12 0.00 0.45 0.00 0.00 32.46 32.00 2wg3 n ARG 75 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2wg3 n ASP 76 N -1.16 2.75 -4.79 6.15 8.00 -1.06 -4.95 116.55 121.48 2wg3 n ASP 76 Ca 0.09 -1.81 -0.39 0.00 0.71 0.00 0.00 54.79 53.40 2wg3 n ASP 76 Cb 0.09 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 2wg3 n ASP 76 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wg3 s LEU 77 N -1.30 4.54 -0.01 0.64 1.43 -0.31 -4.66 118.68 119.01 2wg3 s LEU 77 Ca 0.25 1.47 0.03 0.00 -1.03 0.00 0.00 54.13 54.85 2wg3 s LEU 77 Cb 0.16 -3.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 2wg3 s LEU 77 CO 0.23 0.22 -0.09 -0.69 0.23 0.00 0.00 176.35 176.25 2wg3 s VAL 78 N -1.17 3.51 -0.09 -1.59 1.01 0.81 -4.85 120.40 118.02 2wg3 s VAL 78 Ca 0.34 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 61.28 2wg3 s VAL 78 Cb -0.21 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 2wg3 s VAL 78 CO 0.23 0.44 0.88 -2.16 0.00 0.00 0.00 175.10 174.48 2wg3 s PRO 79 N -1.25 4.42 -0.43 2.72 0.04 -1.26 -1.64 135.00 137.60 2wg3 s PRO 79 Ca 0.15 1.16 -0.21 0.00 0.04 0.00 0.00 61.00 62.15 2wg3 s PRO 79 Cb -0.11 -3.51 0.02 0.00 0.04 0.00 0.00 34.50 30.94 2wg3 s PRO 79 CO 0.06 -0.17 0.67 1.21 0.04 0.00 0.00 177.00 178.80 2wg3 s ASN 80 N 1.03 6.36 -0.36 6.66 3.84 0.59 -4.93 114.94 128.13 2wg3 s ASN 80 Ca 0.44 -0.22 0.07 0.00 0.21 0.00 0.00 52.86 53.36 2wg3 s ASN 80 Cb -0.18 -2.33 0.62 0.00 -0.55 0.00 0.00 41.25 38.81 2wg3 s ASN 80 CO 0.19 -0.78 1.72 -1.22 -2.79 0.00 0.00 177.10 174.22 2wg3 n TYR 81 N 6.31 2.19 -1.68 0.43 4.01 -1.26 -4.83 117.16 122.33 2wg3 n TYR 81 Ca -0.01 -1.61 -0.47 0.00 -0.16 0.00 0.00 57.90 55.66 2wg3 n TYR 81 Cb 0.48 -0.72 -0.04 0.00 -0.31 0.00 0.00 39.34 38.75 2wg3 n TYR 81 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2wg3 n ASN 82 N -0.94 3.66 0.03 7.72 2.85 -1.26 -4.86 115.26 122.46 2wg3 n ASN 82 Ca 0.46 0.95 0.11 0.00 -0.11 0.00 0.00 54.58 55.99 2wg3 n ASN 82 Cb 1.37 -1.42 0.47 0.00 1.24 0.00 0.00 39.78 41.45 2wg3 n ASN 82 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2wg3 n PRO 83 N 6.93 0.05 0.00 1.20 -0.04 -1.26 -2.46 135.00 139.42 2wg3 n PRO 83 Ca 0.22 0.16 0.14 0.00 -0.04 0.00 0.00 63.50 63.98 2wg3 n PRO 83 Cb 0.33 -1.57 0.71 0.00 -0.04 0.00 0.00 33.50 32.93 2wg3 n PRO 83 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wg3 n ASP 84 N -1.66 0.00 -4.50 3.54 8.00 -1.26 -4.71 116.55 115.96 2wg3 n ASP 84 Ca 0.05 -0.02 -0.35 0.00 0.71 0.00 0.00 54.79 55.18 2wg3 n ASP 84 Cb 0.28 -0.32 -0.12 0.00 -0.02 0.00 0.00 41.12 40.94 2wg3 n ASP 84 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wg3 s ILE 85 N -2.64 4.12 -0.18 0.53 1.01 -1.03 -3.92 121.20 119.08 2wg3 s ILE 85 Ca 0.25 -0.26 -0.24 0.00 0.00 0.00 0.00 60.65 60.40 2wg3 s ILE 85 Cb 0.19 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 2wg3 s ILE 85 CO 0.46 0.45 0.76 -0.63 0.00 0.00 0.00 174.94 175.98 2wg3 s ILE 86 N 0.73 4.93 0.02 2.92 -1.09 -0.48 -4.90 121.20 123.33 2wg3 s ILE 86 Ca 0.00 1.48 0.03 0.00 -2.23 0.00 0.00 60.65 59.93 2wg3 s ILE 86 Cb -0.14 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 36.63 2wg3 s ILE 86 CO 0.02 0.05 -0.01 -0.36 -1.23 0.00 0.00 174.94 173.41 2wg3 s PHE 87 N 2.10 3.02 -0.91 3.97 0.08 -1.26 0.51 117.98 125.49 2wg3 s PHE 87 Ca 0.35 0.03 0.10 0.00 0.12 0.00 0.00 56.93 57.52 2wg3 s PHE 87 Cb -0.16 -1.62 0.47 0.00 -0.57 0.00 0.00 43.02 41.14 2wg3 s PHE 87 CO 0.11 0.45 1.27 1.63 -0.10 0.00 0.00 175.22 178.59 2wg3 n LYS 88 N 1.20 3.03 -2.13 0.44 5.02 -0.80 -4.93 118.16 119.99 2wg3 n LYS 88 Ca -0.14 -1.83 -0.27 0.00 -2.02 0.00 0.00 58.31 54.05 2wg3 n LYS 88 Cb 0.52 -1.81 0.02 0.00 -0.02 0.00 0.00 35.03 33.74 2wg3 n LYS 88 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wg3 n GLY 94 N 0.59 6.14 0.28 0.72 0.00 -1.26 -5.06 105.19 106.60 2wg3 n GLY 94 Ca 0.16 -2.66 0.03 0.00 0.00 0.00 0.00 46.02 43.55 2wg3 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wg3 h ALA 95 N 2.39 1.07 0.00 4.61 0.00 -1.97 -1.68 119.26 123.67 2wg3 h ALA 95 Ca 0.38 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2wg3 h ALA 95 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2wg3 h ALA 95 CO 0.92 -0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.69 2wg3 n ASP 96 N -4.88 0.18 0.16 0.00 5.75 -1.26 -1.05 116.55 115.44 2wg3 n ASP 96 Ca 0.13 0.55 0.09 0.00 -0.01 0.00 0.00 54.79 55.55 2wg3 n ASP 96 Cb 0.33 -0.59 0.07 0.00 -1.03 0.00 0.00 41.12 39.91 2wg3 n ASP 96 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2wg3 h ARG 97 N 0.00 0.00 -5.94 0.11 3.08 -1.62 -3.41 114.38 106.59 2wg3 h ARG 97 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 2wg3 h ARG 97 Cb 0.21 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.18 2wg3 h ARG 97 CO 0.00 0.14 0.61 -0.51 -1.07 0.00 0.00 179.97 179.14 2wg3 s LEU 98 N -6.03 4.06 0.26 3.04 1.43 -0.22 -0.30 118.68 120.93 2wg3 s LEU 98 Ca 0.04 1.07 -0.03 0.00 -1.03 0.00 0.00 54.13 54.17 2wg3 s LEU 98 Cb 0.07 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.95 2wg3 s LEU 98 CO 0.73 -0.63 0.30 0.00 0.23 0.00 0.00 176.35 176.98 2wg3 s MET 99 N 3.08 1.50 0.71 1.70 0.23 -0.65 -4.17 119.30 121.71 2wg3 s MET 99 Ca 0.39 -1.62 -0.08 0.00 -1.03 0.00 0.00 55.69 53.35 2wg3 s MET 99 Cb -0.14 0.36 0.05 0.00 -1.53 0.00 0.00 34.83 33.57 2wg3 s MET 99 CO 0.09 -0.57 1.04 0.95 -2.03 0.00 0.00 175.02 174.50 2wg3 s THR 100 N -3.81 2.48 0.12 3.16 -4.23 -0.85 -0.13 115.64 112.38 2wg3 s THR 100 Ca 0.34 -0.14 -0.16 0.00 -1.18 0.00 0.00 61.69 60.54 2wg3 s THR 100 Cb 0.03 -3.09 -0.03 0.00 1.34 0.00 0.00 72.50 70.75 2wg3 s THR 100 CO 0.15 -0.10 1.61 -0.08 -0.54 0.00 0.00 174.62 175.67 2wg3 h GLU 101 N -0.63 0.58 -0.39 3.99 4.57 -1.92 -1.42 114.58 119.36 2wg3 h GLU 101 Ca -0.45 -0.14 0.05 0.00 -1.18 0.00 0.00 59.36 57.64 2wg3 h GLU 101 Cb 1.31 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.77 2wg3 h GLU 101 CO 0.62 0.63 0.11 -0.09 -1.18 0.00 0.00 179.01 179.10 2wg3 h ARG 102 N 0.43 0.25 -0.06 1.92 2.43 -1.94 -1.81 114.38 115.59 2wg3 h ARG 102 Ca 0.11 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2wg3 h ARG 102 Cb 0.31 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2wg3 h ARG 102 CO 0.00 0.16 -0.03 0.00 -1.51 0.00 0.00 179.97 178.60 2wg3 h LYS 104 N -0.02 0.52 -0.22 0.00 3.64 -1.07 -1.91 116.57 117.51 2wg3 h LYS 104 Ca 0.04 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2wg3 h LYS 104 Cb 0.07 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2wg3 h LYS 104 CO -0.08 0.35 0.11 0.93 -2.27 0.00 0.00 179.45 178.49 2wg3 h GLU 105 N 0.54 0.23 -0.04 1.90 4.39 -0.93 -2.59 114.58 118.08 2wg3 h GLU 105 Ca 0.43 -0.01 -0.22 0.00 0.34 0.00 0.00 59.36 59.89 2wg3 h GLU 105 Cb 0.60 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2wg3 h GLU 105 CO -0.37 0.15 -0.87 0.00 -1.16 0.00 0.00 179.01 176.76 2wg3 h ARG 106 N 0.23 0.47 -0.46 2.33 -0.00 -1.09 -2.44 114.38 113.42 2wg3 h ARG 106 Ca 0.09 -0.46 -0.13 0.00 -0.50 0.00 0.00 59.98 58.99 2wg3 h ARG 106 Cb 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 29.97 30.10 2wg3 h ARG 106 CO -0.06 1.10 -0.20 -0.24 0.00 0.00 0.00 179.97 180.56 2wg3 h VAL 107 N 0.29 1.27 -0.77 2.04 3.04 -1.38 0.02 116.25 120.76 2wg3 h VAL 107 Ca -0.07 -1.36 -0.02 0.00 -1.01 0.00 0.00 66.70 64.25 2wg3 h VAL 107 Cb 1.49 1.16 -0.04 0.00 -2.01 0.00 0.00 31.29 31.90 2wg3 h VAL 107 CO 0.16 0.47 0.42 0.78 -1.01 0.00 0.00 177.57 178.38 2wg3 h ASN 108 N 0.80 0.96 -0.56 3.17 2.35 -1.42 0.60 115.58 121.48 2wg3 h ASN 108 Ca 0.11 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 2wg3 h ASN 108 Cb 0.78 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 2wg3 h ASN 108 CO 0.06 0.79 0.28 0.00 -1.65 0.00 0.00 177.43 176.91 2wg3 h ALA 109 N 1.22 0.72 -0.18 -0.83 0.00 -1.21 -2.45 119.26 116.53 2wg3 h ALA 109 Ca 0.27 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2wg3 h ALA 109 Cb 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2wg3 h ALA 109 CO -0.04 0.27 -0.44 1.25 0.00 0.00 0.00 179.25 180.28 2wg3 h LEU 110 N 0.76 0.46 -0.33 0.00 5.85 -0.21 -2.04 115.31 119.80 2wg3 h LEU 110 Ca 0.19 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.76 2wg3 h LEU 110 Cb 0.09 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 2wg3 h LEU 110 CO -0.03 0.84 -0.00 0.00 -0.34 0.00 0.00 178.44 178.91 2wg3 h ALA 111 N 1.18 0.29 -0.52 1.25 0.00 0.35 0.01 119.26 121.82 2wg3 h ALA 111 Ca 0.03 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2wg3 h ALA 111 Cb 0.92 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2wg3 h ALA 111 CO 0.08 -0.41 0.27 0.82 0.00 0.00 0.00 179.25 180.01 2wg3 h ILE 112 N 0.09 0.97 0.10 0.00 2.04 -1.07 -2.67 117.51 116.96 2wg3 h ILE 112 Ca 0.16 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 2wg3 h ILE 112 Cb 0.22 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2wg3 h ILE 112 CO -0.27 0.10 -0.05 0.00 0.00 0.00 0.00 178.15 177.93 2wg3 h ALA 113 N 1.27 -0.13 -0.84 1.87 0.00 -0.75 -1.67 119.26 119.01 2wg3 h ALA 113 Ca 0.23 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.21 2wg3 h ALA 113 Cb 0.12 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 2wg3 h ALA 113 CO -0.15 -0.57 0.47 0.28 0.00 0.00 0.00 179.25 179.28 2wg3 h VAL 114 N -0.13 0.87 -0.38 0.00 2.07 -0.86 0.41 116.25 118.23 2wg3 h VAL 114 Ca -0.01 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 2wg3 h VAL 114 Cb 0.10 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 2wg3 h VAL 114 CO 0.02 0.14 0.07 0.24 0.02 0.00 0.00 177.57 178.06 2wg3 h MET 115 N 0.77 0.62 -0.45 1.57 2.07 -1.19 -0.66 114.93 117.67 2wg3 h MET 115 Ca 0.42 -0.16 -0.02 0.00 -2.07 0.00 0.00 59.70 57.86 2wg3 h MET 115 Cb 0.43 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 30.06 2wg3 h MET 115 CO -0.27 0.68 0.18 -0.91 1.07 0.00 0.00 176.91 177.65 2wg3 h ASN 116 N 0.47 0.57 0.08 1.22 2.35 -0.57 -3.30 115.58 116.40 2wg3 h ASN 116 Ca 0.12 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2wg3 h ASN 116 Cb 0.35 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2wg3 h ASN 116 CO 0.01 0.52 -0.04 -0.03 -1.65 0.00 0.00 177.43 176.24 2wg3 h MET 117 N 0.63 -0.10 -4.50 0.81 4.05 -0.55 -3.41 114.93 111.85 2wg3 h MET 117 Ca 0.16 0.01 -0.65 0.00 -0.28 0.00 0.00 59.70 58.93 2wg3 h MET 117 Cb 0.13 0.02 -0.40 0.00 -0.80 0.00 0.00 31.60 30.55 2wg3 h MET 117 CO -0.02 0.46 -0.72 -1.58 0.23 0.00 0.00 176.91 175.29 2wg3 s TRP 118 N -3.13 3.53 -0.11 1.39 0.51 -0.29 -5.09 118.94 115.75 2wg3 s TRP 118 Ca -0.14 -2.89 -0.39 0.00 -2.12 0.00 0.00 56.10 50.56 2wg3 s TRP 118 Cb -0.00 -2.80 -0.17 0.00 -0.81 0.00 0.00 33.47 29.69 2wg3 s TRP 118 CO 0.54 -0.93 1.50 -2.30 -0.51 0.00 0.00 176.95 175.25 2wg3 n PRO 119 N 4.25 0.99 0.00 4.98 -0.02 -1.25 -1.55 135.00 142.41 2wg3 n PRO 119 Ca 0.04 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2wg3 n PRO 119 Cb 0.41 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2wg3 n PRO 119 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wg3 n GLY 120 N 3.23 3.10 3.81 -1.23 0.00 -1.26 -5.03 105.19 107.80 2wg3 n GLY 120 Ca 0.23 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 2wg3 n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wg3 s VAL 121 N -1.23 4.23 0.06 1.61 1.01 -0.59 -5.05 120.40 120.44 2wg3 s VAL 121 Ca 0.00 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.43 2wg3 s VAL 121 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2wg3 s VAL 121 CO 0.00 -0.27 -0.09 -0.13 0.00 0.00 0.00 175.10 174.62 2wg3 s ARG 122 N -3.11 0.63 0.29 2.72 0.52 -1.26 -4.07 118.95 114.67 2wg3 s ARG 122 Ca 0.62 -0.89 -0.30 0.00 -0.52 0.00 0.00 55.73 54.64 2wg3 s ARG 122 Cb -0.11 -0.38 -0.12 0.00 0.52 0.00 0.00 34.95 34.86 2wg3 s ARG 122 CO 0.15 0.06 1.60 -0.11 0.02 0.00 0.00 175.30 177.02 2wg3 n LEU 123 N 1.17 4.33 -4.06 2.53 7.94 -1.25 -0.05 117.00 127.61 2wg3 n LEU 123 Ca -0.21 1.15 -0.26 0.00 -1.11 0.00 0.00 56.01 55.58 2wg3 n LEU 123 Cb 0.56 -1.59 -0.17 0.00 0.53 0.00 0.00 43.42 42.75 2wg3 n LEU 123 CO 0.22 0.14 -0.48 -0.60 -1.11 0.00 0.00 177.39 175.56 2wg3 s ARG 124 N -0.49 1.93 -0.19 1.96 3.52 -0.57 -1.38 118.95 123.74 2wg3 s ARG 124 Ca 0.64 -0.49 -0.03 0.00 -0.13 0.00 0.00 55.73 55.72 2wg3 s ARG 124 Cb -0.50 -1.56 -0.02 0.00 -1.56 0.00 0.00 34.95 31.31 2wg3 s ARG 124 CO 0.48 0.05 -0.05 0.08 -0.81 0.00 0.00 175.30 175.05 2wg3 s VAL 125 N 0.62 3.52 -0.12 7.11 1.01 0.18 -0.31 120.40 132.41 2wg3 s VAL 125 Ca -0.15 -0.46 0.17 0.00 0.00 0.00 0.00 61.98 61.53 2wg3 s VAL 125 Cb -0.16 -2.57 -0.24 0.00 0.00 0.00 0.00 36.38 33.41 2wg3 s VAL 125 CO 0.04 0.45 0.18 0.35 0.00 0.00 0.00 175.10 176.12 2wg3 n THR 126 N 4.25 0.81 -3.66 3.92 -2.24 0.01 -1.90 114.28 115.48 2wg3 n THR 126 Ca -0.18 -0.64 -0.11 0.00 -2.27 0.00 0.00 64.05 60.85 2wg3 n THR 126 Cb 0.52 -0.33 -0.08 0.00 -2.10 0.00 0.00 70.33 68.33 2wg3 n THR 126 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wg3 s GLU 127 N -2.72 0.66 0.00 -0.78 2.56 -1.22 -4.77 118.70 112.44 2wg3 s GLU 127 Ca -0.08 0.99 0.00 0.00 0.00 0.00 0.00 54.97 55.88 2wg3 s GLU 127 Cb 0.07 0.21 0.00 0.00 2.00 0.00 0.00 34.13 36.41 2wg3 s GLU 127 CO 0.74 -0.12 0.00 0.41 -0.56 0.00 0.00 175.26 175.73 2wg3 n GLY 128 N 3.59 2.22 3.74 -1.50 0.00 -1.26 0.26 105.19 112.24 2wg3 n GLY 128 Ca -0.18 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 2wg3 n GLY 128 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2wg3 s TRP 129 N 2.25 3.29 -0.21 1.61 -0.00 -1.25 -4.69 118.94 119.94 2wg3 s TRP 129 Ca 0.00 1.27 -0.04 0.00 -0.00 0.00 0.00 56.10 57.33 2wg3 s TRP 129 Cb 0.00 -3.57 -0.01 0.00 -0.00 0.00 0.00 33.47 29.89 2wg3 s TRP 129 CO 0.00 -1.73 -0.04 0.34 -0.00 0.00 0.00 176.95 175.52 2wg3 s ASP 130 N 0.29 4.37 -0.03 5.86 2.15 0.52 -4.36 116.67 125.48 2wg3 s ASP 130 Ca 0.56 -0.35 0.21 0.00 0.43 0.00 0.00 52.55 53.39 2wg3 s ASP 130 Cb -0.36 -1.75 -0.32 0.00 -0.30 0.00 0.00 42.92 40.20 2wg3 s ASP 130 CO 0.38 0.01 0.51 -1.84 -0.17 0.00 0.00 175.17 174.05 2wg3 n GLU 131 N 4.62 0.59 -1.34 4.34 0.28 -1.26 -4.61 120.64 123.25 2wg3 n GLU 131 Ca -0.18 -0.17 -0.28 0.00 -0.16 0.00 0.00 57.16 56.37 2wg3 n GLU 131 Cb 0.51 -1.50 0.11 0.00 1.43 0.00 0.00 31.44 31.99 2wg3 n GLU 131 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2wg3 n ASP 132 N -2.15 5.91 -3.92 -1.84 8.00 -1.26 -4.97 116.55 116.32 2wg3 n ASP 132 Ca -0.03 -3.74 -0.35 0.00 0.71 0.00 0.00 54.79 51.38 2wg3 n ASP 132 Cb 0.52 -0.83 0.01 0.00 -0.02 0.00 0.00 41.12 40.80 2wg3 n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wg3 n GLY 133 N -0.97 -1.09 0.33 0.44 0.00 -1.26 -4.88 105.19 97.76 2wg3 n GLY 133 Ca 0.57 0.48 0.08 0.00 0.00 0.00 0.00 46.02 47.15 2wg3 n GLY 133 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wg3 n HIS 134 N -3.77 0.29 -4.21 1.61 8.25 -1.26 -5.05 115.22 111.08 2wg3 n HIS 134 Ca -0.22 -0.86 -0.15 0.00 -0.26 0.00 0.00 57.72 56.23 2wg3 n HIS 134 Cb 0.63 -0.17 -0.11 0.00 1.12 0.00 0.00 29.99 31.46 2wg3 n HIS 134 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2wg3 s HIS 135 N -2.46 1.20 1.13 4.41 3.76 -1.26 -5.15 115.29 116.93 2wg3 s HIS 135 Ca 0.30 -0.65 -0.14 0.00 -0.15 0.00 0.00 55.06 54.41 2wg3 s HIS 135 Cb 0.25 -0.64 0.26 0.00 1.11 0.00 0.00 32.58 33.56 2wg3 s HIS 135 CO 0.05 0.06 1.05 0.00 -0.85 0.00 0.00 174.74 175.05 2wg3 s ALA 136 N -2.58 0.06 0.35 -1.40 0.00 -1.26 -4.93 121.76 112.01 2wg3 s ALA 136 Ca 0.09 -0.36 -0.28 0.00 0.00 0.00 0.00 51.96 51.41 2wg3 s ALA 136 Cb -0.02 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.86 2wg3 s ALA 136 CO 0.01 -3.54 1.32 -1.14 0.00 0.00 0.00 175.76 172.41 2wg3 s GLN 137 N -4.77 4.26 -0.46 0.00 0.74 -1.26 -2.86 119.66 115.31 2wg3 s GLN 137 Ca 0.67 2.22 0.00 0.00 0.05 0.00 0.00 55.36 58.31 2wg3 s GLN 137 Cb -0.21 -3.00 0.00 0.00 1.10 0.00 0.00 33.01 30.91 2wg3 s GLN 137 CO 0.61 -0.27 0.00 -0.25 -0.55 0.00 0.00 175.29 174.83 2wg3 n ASP 138 N 0.63 -4.71 -4.77 6.67 8.00 -1.26 -4.98 116.55 116.14 2wg3 n ASP 138 Ca 0.01 0.11 -0.41 0.00 0.71 0.00 0.00 54.79 55.20 2wg3 n ASP 138 Cb 0.42 -2.59 -0.01 0.00 -0.02 0.00 0.00 41.12 38.92 2wg3 n ASP 138 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2wg3 s SER 139 N -2.30 6.46 0.00 -2.24 0.15 -1.14 -4.69 113.70 109.94 2wg3 s SER 139 Ca 0.00 2.93 0.29 0.00 0.70 0.00 0.00 55.95 59.87 2wg3 s SER 139 Cb 0.00 -2.65 1.56 0.00 -1.71 0.00 0.00 66.02 63.21 2wg3 s SER 139 CO 0.00 -0.81 2.04 0.18 1.20 0.00 0.00 173.24 175.85 2wg3 n LEU 140 N 1.13 0.00 0.27 3.45 4.77 -1.26 -2.46 117.00 122.89 2wg3 n LEU 140 Ca 0.03 0.21 0.17 0.00 -0.03 0.00 0.00 56.01 56.39 2wg3 n LEU 140 Cb 0.39 -0.21 0.65 0.00 -2.33 0.00 0.00 43.42 41.93 2wg3 n LEU 140 CO 0.63 -0.01 0.98 0.45 -1.33 0.00 0.00 177.39 178.11 2wg3 h HIS 141 N 0.00 0.00 0.00 -1.77 3.86 -1.86 -2.46 115.15 112.92 2wg3 h HIS 141 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2wg3 h HIS 141 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 2wg3 h HIS 141 CO 0.00 0.00 0.00 0.66 0.86 0.00 0.00 177.93 179.45 2wg3 n TYR 142 N -3.05 0.00 -0.54 2.45 4.01 -1.03 -0.36 117.16 118.65 2wg3 n TYR 142 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2wg3 n TYR 142 Cb 0.31 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 2wg3 n TYR 142 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2wg3 n GLU 143 N -1.05 0.93 -1.10 -0.72 1.02 -1.13 -0.37 120.64 118.22 2wg3 n GLU 143 Ca 0.22 -0.78 -0.04 0.00 -0.02 0.00 0.00 57.16 56.54 2wg3 n GLU 143 Cb 0.13 -0.73 -0.02 0.00 -0.02 0.00 0.00 31.44 30.80 2wg3 n GLU 143 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wg3 n GLY 144 N -0.17 0.66 0.31 0.62 0.00 -1.24 -4.76 105.19 100.60 2wg3 n GLY 144 Ca 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 46.02 45.39 2wg3 n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wg3 n ARG 145 N -2.69 0.69 -4.08 1.61 1.74 -0.95 -2.00 116.66 110.97 2wg3 n ARG 145 Ca -0.04 -1.14 -0.14 0.00 -0.77 0.00 0.00 57.85 55.77 2wg3 n ARG 145 Cb 0.14 -1.14 -0.12 0.00 -1.02 0.00 0.00 32.46 30.32 2wg3 n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wg3 s ALA 146 N -0.68 0.53 -0.02 7.54 0.00 -1.05 -1.30 121.76 126.79 2wg3 s ALA 146 Ca 0.10 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 2wg3 s ALA 146 Cb 0.06 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.20 2wg3 s ALA 146 CO 0.09 0.00 0.04 -0.51 0.00 0.00 0.00 175.76 175.39 2wg3 s LEU 147 N -1.27 1.70 -0.18 0.00 1.43 -0.08 -4.42 118.68 115.86 2wg3 s LEU 147 Ca -0.08 0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.00 2wg3 s LEU 147 Cb -0.08 0.12 -0.05 0.00 0.03 0.00 0.00 46.19 46.20 2wg3 s LEU 147 CO 0.00 -0.03 0.17 -1.81 0.23 0.00 0.00 176.35 174.90 2wg3 s ASP 148 N 0.21 6.27 0.07 2.29 1.01 0.14 -1.61 116.67 125.05 2wg3 s ASP 148 Ca -0.02 0.31 0.04 0.00 0.71 0.00 0.00 52.55 53.59 2wg3 s ASP 148 Cb -0.02 -2.11 -0.03 0.00 1.01 0.00 0.00 42.92 41.77 2wg3 s ASP 148 CO -0.01 0.18 -0.11 0.27 0.21 0.00 0.00 175.17 175.71 2wg3 s ILE 149 N 0.27 0.88 0.30 0.77 -4.36 -0.24 -0.81 121.20 118.01 2wg3 s ILE 149 Ca 0.10 -1.28 0.06 0.00 -0.26 0.00 0.00 60.65 59.27 2wg3 s ILE 149 Cb -0.12 -0.96 -0.02 0.00 1.25 0.00 0.00 42.46 42.61 2wg3 s ILE 149 CO -0.00 -0.34 0.21 0.35 0.24 0.00 0.00 174.94 175.40 2wg3 n THR 150 N 1.22 0.00 -3.53 8.37 -2.24 0.57 -2.31 114.28 116.36 2wg3 n THR 150 Ca -0.21 -2.06 -0.30 0.00 -2.27 0.00 0.00 64.05 59.21 2wg3 n THR 150 Cb 0.55 0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 69.70 2wg3 n THR 150 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wg3 s THR 151 N -3.09 5.08 0.46 4.28 -4.23 -1.26 -1.50 115.64 115.38 2wg3 s THR 151 Ca 0.30 0.06 0.21 0.00 -1.18 0.00 0.00 61.69 61.08 2wg3 s THR 151 Cb 0.01 -3.67 0.40 0.00 1.34 0.00 0.00 72.50 70.58 2wg3 s THR 151 CO 0.21 -0.13 1.89 0.77 -0.54 0.00 0.00 174.62 176.83 2wg3 h SER 152 N 2.29 0.28 0.85 3.99 4.64 -0.76 -0.08 113.55 124.75 2wg3 h SER 152 Ca -0.47 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2wg3 h SER 152 Cb 1.18 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2wg3 h SER 152 CO 0.69 0.12 -0.18 -0.90 -0.87 0.00 0.00 176.83 175.69 2wg3 n ASP 153 N -4.44 0.22 -2.36 4.97 5.75 -1.26 -4.95 116.55 114.48 2wg3 n ASP 153 Ca 0.17 0.24 -0.19 0.00 -0.01 0.00 0.00 54.79 55.00 2wg3 n ASP 153 Cb 0.70 -0.24 0.01 0.00 -1.03 0.00 0.00 41.12 40.55 2wg3 n ASP 153 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wg3 n ARG 154 N -1.55 -2.56 -2.69 0.11 1.74 -0.05 -4.94 116.66 106.73 2wg3 n ARG 154 Ca 0.06 0.88 -0.42 0.00 -0.77 0.00 0.00 57.85 57.61 2wg3 n ARG 154 Cb 0.34 -5.48 -0.03 0.00 -1.02 0.00 0.00 32.46 26.28 2wg3 n ARG 154 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2wg3 s ASP 155 N -2.36 6.36 0.47 0.55 2.15 -1.26 -4.90 116.67 117.67 2wg3 s ASP 155 Ca 0.10 -1.19 0.24 0.00 0.43 0.00 0.00 52.55 52.13 2wg3 s ASP 155 Cb -0.04 -2.50 1.26 0.00 -0.30 0.00 0.00 42.92 41.33 2wg3 s ASP 155 CO 0.12 -1.50 1.86 0.03 -0.17 0.00 0.00 175.17 175.51 2wg3 h ARG 156 N 9.63 0.22 0.00 4.34 3.08 -1.92 -0.40 114.38 129.34 2wg3 h ARG 156 Ca -0.04 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2wg3 h ARG 156 Cb 1.04 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 2wg3 h ARG 156 CO 1.28 0.15 -0.01 -0.91 -1.07 0.00 0.00 179.97 179.40 2wg3 h ASN 157 N 0.23 0.00 1.04 7.04 2.35 -1.93 -0.61 115.58 123.69 2wg3 h ASN 157 Ca 0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.21 2wg3 h ASN 157 Cb 1.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.81 2wg3 h ASN 157 CO -0.12 0.01 0.00 0.11 -1.65 0.00 0.00 177.43 175.79 2wg3 h LYS 158 N 0.00 0.00 0.00 0.81 1.57 -1.48 -3.40 116.57 114.07 2wg3 h LYS 158 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2wg3 h LYS 158 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2wg3 h LYS 158 CO 0.00 0.00 -0.39 1.88 -0.57 0.00 0.00 179.45 180.37 2wg3 h TYR 159 N 0.00 0.00 0.00 -1.35 0.05 -1.23 -1.63 116.97 112.81 2wg3 h TYR 159 Ca 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 2wg3 h TYR 159 Cb 0.52 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 2wg3 h TYR 159 CO 0.00 0.39 -0.64 0.78 -1.05 0.00 0.00 178.16 177.64 2wg3 h GLY 160 N 1.38 0.00 1.48 3.88 0.00 -1.79 0.04 103.07 108.05 2wg3 h GLY 160 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.04 2wg3 h GLY 160 CO 0.05 0.00 -1.25 -2.00 0.00 0.00 0.00 176.54 173.35 2wg3 h LEU 161 N 0.00 0.61 -1.20 3.11 7.12 -1.71 1.00 115.31 124.24 2wg3 h LEU 161 Ca -0.01 -0.61 0.03 0.00 0.13 0.00 0.00 57.88 57.43 2wg3 h LEU 161 Cb 1.17 -0.19 -0.05 0.00 -0.53 0.00 0.00 40.66 41.06 2wg3 h LEU 161 CO 0.08 1.45 0.55 0.25 -0.13 0.00 0.00 178.44 180.64 2wg3 h LEU 162 N 0.15 0.91 -0.24 2.25 5.85 -1.20 0.18 115.31 123.21 2wg3 h LEU 162 Ca -0.16 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2wg3 h LEU 162 Cb 1.94 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 2wg3 h LEU 162 CO 0.22 0.63 0.16 0.00 -0.34 0.00 0.00 178.44 179.11 2wg3 h ALA 163 N 1.51 0.30 -0.59 1.25 0.00 -0.80 -1.75 119.26 119.18 2wg3 h ALA 163 Ca 0.32 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 2wg3 h ALA 163 Cb -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2wg3 h ALA 163 CO -0.09 -0.23 0.03 -0.09 0.00 0.00 0.00 179.25 178.87 2wg3 h ARG 164 N 0.32 1.02 -0.70 0.00 9.65 -0.83 -1.28 114.38 122.55 2wg3 h ARG 164 Ca 0.09 -0.31 0.08 0.00 -1.10 0.00 0.00 59.98 58.74 2wg3 h ARG 164 Cb -0.03 -0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 28.38 2wg3 h ARG 164 CO -0.02 0.99 0.37 -0.07 2.80 0.00 0.00 179.97 184.04 2wg3 h LEU 165 N 0.91 0.51 -1.27 3.80 3.38 -0.90 -2.18 115.31 119.56 2wg3 h LEU 165 Ca 0.17 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 2wg3 h LEU 165 Cb 0.52 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2wg3 h LEU 165 CO 0.03 0.31 -0.07 0.00 0.09 0.00 0.00 178.44 178.80 2wg3 h ALA 166 N 1.40 1.40 -0.73 1.53 0.00 -0.33 -1.01 119.26 121.52 2wg3 h ALA 166 Ca 0.33 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2wg3 h ALA 166 Cb 0.30 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2wg3 h ALA 166 CO -0.23 0.41 0.31 0.28 0.00 0.00 0.00 179.25 180.02 2wg3 h VAL 167 N 0.39 1.25 0.00 0.00 2.07 -0.73 -2.57 116.25 116.66 2wg3 h VAL 167 Ca 0.08 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2wg3 h VAL 167 Cb 0.37 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2wg3 h VAL 167 CO 0.02 0.31 0.00 -0.33 0.02 0.00 0.00 177.57 177.58 2wg3 h GLU 168 N 1.05 0.00 -0.00 1.57 4.39 -0.85 -2.84 114.58 117.89 2wg3 h GLU 168 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 2wg3 h GLU 168 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2wg3 h GLU 168 CO -0.02 0.00 -0.00 0.00 -1.16 0.00 0.00 179.01 177.83 2wg3 n ALA 169 N -1.89 2.40 -0.55 3.43 0.00 -0.46 -4.90 120.51 118.54 2wg3 n ALA 169 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2wg3 n ALA 169 Cb 0.45 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2wg3 n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wg3 n GLY 170 N 1.40 1.26 3.72 0.00 0.00 -1.07 -4.75 105.19 105.74 2wg3 n GLY 170 Ca 0.10 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2wg3 n GLY 170 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wg3 s PHE 171 N -2.00 3.50 0.11 1.61 0.08 -1.07 -4.94 117.98 115.26 2wg3 s PHE 171 Ca 0.00 1.42 0.19 0.00 0.12 0.00 0.00 56.93 58.66 2wg3 s PHE 171 Cb 0.00 -3.35 0.64 0.00 -0.57 0.00 0.00 43.02 39.74 2wg3 s PHE 171 CO 0.00 -0.97 1.71 -0.44 -0.10 0.00 0.00 175.22 175.42 2wg3 h ASP 172 N 6.48 0.00 -3.55 1.36 3.32 -1.57 -3.42 116.42 119.04 2wg3 h ASP 172 Ca -0.42 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.40 2wg3 h ASP 172 Cb 1.21 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.46 2wg3 h ASP 172 CO 0.79 0.36 -0.60 0.86 -1.72 0.00 0.00 179.24 178.93 2wg3 s TRP 173 N -3.51 -0.14 -0.05 4.55 -0.00 -1.00 -4.17 118.94 114.61 2wg3 s TRP 173 Ca 0.01 0.41 0.02 0.00 -0.00 0.00 0.00 56.10 56.54 2wg3 s TRP 173 Cb 0.10 -0.05 0.01 0.00 -0.00 0.00 0.00 33.47 33.53 2wg3 s TRP 173 CO 0.68 -0.13 -0.10 0.08 -0.00 0.00 0.00 176.95 177.48 2wg3 s VAL 174 N 0.81 0.96 -0.10 5.86 1.01 -0.63 -1.28 120.40 127.02 2wg3 s VAL 174 Ca -0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 2wg3 s VAL 174 Cb -0.08 -0.87 0.04 0.00 0.00 0.00 0.00 36.38 35.47 2wg3 s VAL 174 CO -0.04 0.30 0.03 -0.47 0.00 0.00 0.00 175.10 174.92 2wg3 s TYR 175 N 0.49 0.62 -1.02 5.22 5.04 0.15 -0.85 117.35 127.00 2wg3 s TYR 175 Ca -0.09 -0.27 -0.20 0.00 -2.44 0.00 0.00 57.07 54.06 2wg3 s TYR 175 Cb -0.13 -0.80 -0.09 0.00 0.35 0.00 0.00 41.96 41.30 2wg3 s TYR 175 CO 0.02 -0.39 1.99 0.98 -1.34 0.00 0.00 175.55 176.81 2wg3 n TYR 176 N 5.16 2.56 0.22 4.97 4.19 -0.74 0.27 117.16 133.79 2wg3 n TYR 176 Ca -0.07 -2.13 0.09 0.00 3.31 0.00 0.00 57.90 59.11 2wg3 n TYR 176 Cb 0.49 -2.08 0.43 0.00 0.49 0.00 0.00 39.34 38.68 2wg3 n TYR 176 CO 0.00 0.00 0.00 1.05 0.91 0.00 0.00 176.86 178.82 2wg3 h GLU 177 N 7.60 0.00 -3.05 2.98 -0.00 -1.83 -1.06 114.58 119.22 2wg3 h GLU 177 Ca 0.44 0.00 0.04 0.00 -0.00 0.00 0.00 59.36 59.83 2wg3 h GLU 177 Cb 0.70 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.42 2wg3 h GLU 177 CO 1.83 0.24 0.22 -1.54 -0.00 0.00 0.00 179.01 179.76 2wg3 s SER 178 N -6.22 -0.17 0.44 3.06 1.04 -1.07 -4.85 113.70 105.93 2wg3 s SER 178 Ca 0.01 -0.78 0.21 0.00 0.48 0.00 0.00 55.95 55.86 2wg3 s SER 178 Cb 0.10 0.75 1.04 0.00 0.10 0.00 0.00 66.02 68.02 2wg3 s SER 178 CO 0.64 -1.43 1.92 -0.09 0.98 0.00 0.00 173.24 175.27 2wg3 h ARG 179 N 2.01 0.00 -0.01 4.02 9.65 -2.00 -3.18 114.38 124.88 2wg3 h ARG 179 Ca -0.23 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.65 2wg3 h ARG 179 Cb 1.25 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 2wg3 h ARG 179 CO 0.28 0.24 -0.63 0.09 2.80 0.00 0.00 179.97 182.75 2wg3 n ASN 180 N -3.78 1.60 -3.50 -3.80 3.02 -1.26 -4.86 115.26 102.68 2wg3 n ASN 180 Ca -0.01 -1.30 -0.11 0.00 -0.03 0.00 0.00 54.58 53.12 2wg3 n ASN 180 Cb 0.34 0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 40.15 2wg3 n ASN 180 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 2wg3 s HIS 181 N -2.57 -0.45 -0.12 3.10 -3.43 -1.20 -4.85 115.29 105.77 2wg3 s HIS 181 Ca 0.14 0.47 -0.07 0.00 -0.80 0.00 0.00 55.06 54.80 2wg3 s HIS 181 Cb 0.16 0.51 -0.04 0.00 -1.43 0.00 0.00 32.58 31.78 2wg3 s HIS 181 CO 0.65 -0.59 0.13 0.08 -2.00 0.00 0.00 174.74 173.00 2wg3 s VAL 182 N -2.59 5.41 -0.09 -5.38 1.01 -0.98 -2.60 120.40 115.18 2wg3 s VAL 182 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 2wg3 s VAL 182 Cb -0.01 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 2wg3 s VAL 182 CO -0.05 0.60 -0.04 -2.28 0.00 0.00 0.00 175.10 173.33 2wg3 s HIS 183 N -0.90 3.02 0.01 5.22 2.46 0.14 -1.07 115.29 124.17 2wg3 s HIS 183 Ca 0.14 0.02 -0.06 0.00 0.47 0.00 0.00 55.06 55.63 2wg3 s HIS 183 Cb -0.12 -1.78 -0.00 0.00 -0.13 0.00 0.00 32.58 30.55 2wg3 s HIS 183 CO 0.03 0.31 0.11 0.14 -2.47 0.00 0.00 174.74 172.86 2wg3 s VAL 184 N -0.63 0.10 0.20 0.89 -7.23 -0.64 0.32 120.40 113.41 2wg3 s VAL 184 Ca 0.10 -0.79 -0.15 0.00 -1.81 0.00 0.00 61.98 59.32 2wg3 s VAL 184 Cb -0.12 -0.49 0.02 0.00 0.56 0.00 0.00 36.38 36.35 2wg3 s VAL 184 CO 0.02 -0.44 0.47 -0.94 -0.31 0.00 0.00 175.10 173.91 2wg3 s SER 185 N -1.53 -0.18 0.19 4.85 1.04 -0.40 -0.90 113.70 116.77 2wg3 s SER 185 Ca -0.13 -0.62 0.03 0.00 0.48 0.00 0.00 55.95 55.71 2wg3 s SER 185 Cb -0.07 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 2wg3 s SER 185 CO 0.00 -1.04 -0.01 0.68 0.98 0.00 0.00 173.24 173.85 2wg3 s VAL 186 N -3.91 0.87 0.65 5.02 -7.23 -0.42 -1.42 120.40 113.96 2wg3 s VAL 186 Ca 0.12 -2.01 -0.16 0.00 -1.81 0.00 0.00 61.98 58.12 2wg3 s VAL 186 Cb -0.00 -2.16 -0.00 0.00 0.56 0.00 0.00 36.38 34.77 2wg3 s VAL 186 CO -0.01 -0.46 1.15 -0.54 -0.31 0.00 0.00 175.10 174.93 2wg3 s LYS 187 N -3.87 2.75 0.70 4.82 1.02 -1.25 -4.88 119.74 119.03 2wg3 s LYS 187 Ca 0.24 1.57 -0.11 0.00 0.02 0.00 0.00 55.97 57.69 2wg3 s LYS 187 Cb 0.05 -1.93 0.01 0.00 -0.52 0.00 0.00 37.83 35.45 2wg3 s LYS 187 CO 0.05 -1.32 1.10 0.00 -0.92 0.00 0.00 175.35 174.25 2wg3 s ALA 188 N -2.07 2.90 -0.49 5.17 0.00 -1.26 -4.89 121.76 121.12 2wg3 s ALA 188 Ca 0.71 -0.34 0.06 0.00 0.00 0.00 0.00 51.96 52.39 2wg3 s ALA 188 Cb -0.24 -3.03 0.39 0.00 0.00 0.00 0.00 23.12 20.24 2wg3 s ALA 188 CO 0.39 -1.13 1.03 -0.25 0.00 0.00 0.00 175.76 175.80 2wg3 n ASP 189 N -3.01 4.40 -3.41 0.00 8.00 -1.26 -5.05 116.55 116.23 2wg3 n ASP 189 Ca 0.07 -3.65 -0.17 0.00 0.71 0.00 0.00 54.79 51.74 2wg3 n ASP 189 Cb 0.57 -0.50 -0.04 0.00 -0.02 0.00 0.00 41.12 41.13 2wg3 n ASP 189 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2wg3 n ASN 190 N -0.36 2.68 -1.64 -2.24 6.94 -1.26 -5.18 115.26 114.20 2wg3 n ASN 190 Ca 0.34 -2.20 0.00 0.00 -0.02 0.00 0.00 54.58 52.71 2wg3 n ASN 190 Cb 0.57 0.21 0.00 0.00 -2.36 0.00 0.00 39.78 38.19 2wg3 n ASN 190 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2wg3 n SER 191 N -1.19 0.00 0.00 0.53 7.64 -1.26 -5.14 113.62 114.19 2wg3 n SER 191 Ca -0.11 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.04 2wg3 n SER 191 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2wg3 n SER 191 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2wg3 n LEU 192 N 0.00 0.00 0.00 -3.43 4.77 -1.26 -5.22 117.00 111.86 2wg3 n LEU 192 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 2wg3 n LEU 192 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 2wg3 n LEU 192 CO 0.00 0.00 0.34 0.00 -1.33 0.00 0.00 177.39 176.40 2wg3 n ALA 193 N -3.00 -1.13 -2.66 -1.18 0.00 -1.26 -5.21 120.51 106.07 2wg3 n ALA 193 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2wg3 n ALA 193 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.79 2wg3 n ALA 193 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wg3 n VAL 194 N -0.31 0.00 -4.66 0.00 0.24 -1.26 -5.15 118.33 107.19 2wg3 n VAL 194 Ca -0.02 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.95 2wg3 n VAL 194 Cb 0.28 -0.27 -0.16 0.00 -1.47 0.00 0.00 33.84 32.22 2wg3 n VAL 194 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2wg3 s LEU 195 N 0.00 2.28 0.19 1.34 2.96 -1.26 -5.12 118.68 119.07 2wg3 s LEU 195 Ca 0.00 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.39 2wg3 s LEU 195 Cb 0.00 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 45.15 2wg3 s LEU 195 CO 0.00 0.09 0.01 -1.61 -1.32 0.00 0.00 176.35 173.53 2wg3 s GLU 196 N 0.76 1.16 0.74 1.98 0.41 -1.26 -5.15 118.70 117.34 2wg3 s GLU 196 Ca -0.07 -1.57 -0.13 0.00 -0.41 0.00 0.00 54.97 52.79 2wg3 s GLU 196 Cb -0.16 -0.28 0.04 0.00 -1.78 0.00 0.00 34.13 31.96 2wg3 s GLU 196 CO -0.00 -0.15 1.13 -1.01 -0.49 0.00 0.00 175.26 174.74 2wg3 s HIS 197 N -3.66 2.36 -2.97 1.61 3.76 -1.26 -5.39 115.29 109.74 2wg3 s HIS 197 Ca 0.26 1.60 0.24 0.00 -0.15 0.00 0.00 55.06 57.01 2wg3 s HIS 197 Cb 0.06 -3.22 0.25 0.00 1.11 0.00 0.00 32.58 30.78 2wg3 s HIS 197 CO 0.05 -2.05 1.29 1.58 -0.85 0.00 0.00 174.74 174.76