#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wg3 s LEU 40 N 0.00 4.26 -0.21 0.00 1.43 -1.26 -5.00 118.68 117.90 2wg3 s LEU 40 Ca 0.00 1.80 -0.15 0.00 -1.03 0.00 0.00 54.13 54.74 2wg3 s LEU 40 Cb 0.00 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 2wg3 s LEU 40 CO 0.00 -0.63 0.38 0.68 0.23 0.00 0.00 176.35 177.01 2wg3 s VAL 41 N 2.52 5.21 0.33 -1.59 -7.23 -1.26 -5.04 120.40 113.34 2wg3 s VAL 41 Ca 0.56 0.66 -0.29 0.00 -1.81 0.00 0.00 61.98 61.10 2wg3 s VAL 41 Cb -0.24 -3.71 -0.11 0.00 0.56 0.00 0.00 36.38 32.88 2wg3 s VAL 41 CO 0.20 0.25 1.40 -2.84 -0.31 0.00 0.00 175.10 173.80 2wg3 s PRO 42 N 1.35 4.25 0.63 4.82 0.02 -1.26 -4.76 135.00 140.05 2wg3 s PRO 42 Ca 0.18 2.36 -0.17 0.00 0.02 0.00 0.00 61.00 63.38 2wg3 s PRO 42 Cb -0.15 -3.05 -0.06 0.00 0.02 0.00 0.00 34.50 31.27 2wg3 s PRO 42 CO 0.08 -0.36 0.67 1.28 -0.33 0.00 0.00 177.00 178.33 2wg3 n LEU 43 N 1.07 1.74 -4.87 -5.54 4.32 -1.06 -4.89 117.00 107.77 2wg3 n LEU 43 Ca 0.02 0.71 -0.31 0.00 -0.02 0.00 0.00 56.01 56.41 2wg3 n LEU 43 Cb 0.40 -1.25 -0.00 0.00 -1.62 0.00 0.00 43.42 40.95 2wg3 n LEU 43 CO 0.61 -2.70 0.66 -0.76 -1.22 0.00 0.00 177.39 173.97 2wg3 s LEU 44 N -0.49 3.38 0.09 2.23 1.43 -1.26 -4.65 118.68 119.41 2wg3 s LEU 44 Ca 0.70 1.35 -0.34 0.00 -1.03 0.00 0.00 54.13 54.81 2wg3 s LEU 44 Cb -0.40 -4.36 -0.13 0.00 0.03 0.00 0.00 46.19 41.32 2wg3 s LEU 44 CO 0.53 -0.76 1.66 0.00 0.23 0.00 0.00 176.35 178.01 2wg3 n TYR 45 N -2.42 2.27 -1.26 0.29 9.36 -1.26 -0.91 117.16 123.23 2wg3 n TYR 45 Ca 0.05 0.20 -0.09 0.00 3.32 0.00 0.00 57.90 61.38 2wg3 n TYR 45 Cb 0.54 -2.57 -0.04 0.00 -0.63 0.00 0.00 39.34 36.64 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 4.34 -0.77 -3.17 2.98 4.76 0.20 -5.02 118.16 121.48 2wg3 n LYS 46 Ca 0.19 0.79 -0.35 0.00 -2.87 0.00 0.00 58.31 56.06 2wg3 n LYS 46 Cb 0.29 -4.70 -0.06 0.00 -1.84 0.00 0.00 35.03 28.71 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 -2.63 4.12 0.02 1.97 0.74 -0.08 -4.87 119.66 118.91 2wg3 s GLN 47 Ca 0.00 0.72 0.07 0.00 0.05 0.00 0.00 55.36 56.20 2wg3 s GLN 47 Cb 0.00 -2.77 -0.02 0.00 1.10 0.00 0.00 33.01 31.32 2wg3 s GLN 47 CO 0.00 0.35 -0.20 -0.59 -0.55 0.00 0.00 175.29 174.29 2wg3 s PHE 48 N -1.64 1.79 -0.06 1.67 -0.71 -1.26 -1.48 117.98 116.29 2wg3 s PHE 48 Ca 0.45 -0.36 -0.00 0.00 -1.04 0.00 0.00 56.93 55.98 2wg3 s PHE 48 Cb -0.14 -1.10 0.03 0.00 -1.21 0.00 0.00 43.02 40.59 2wg3 s PHE 48 CO 0.20 0.04 -0.01 0.08 -1.34 0.00 0.00 175.22 174.18 2wg3 s VAL 49 N -0.66 0.39 0.86 -2.49 1.01 0.17 -3.29 120.40 116.39 2wg3 s VAL 49 Ca 0.07 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.00 2wg3 s VAL 49 Cb -0.08 -0.50 0.11 0.00 0.00 0.00 0.00 36.38 35.91 2wg3 s VAL 49 CO 0.01 0.23 1.11 -2.16 0.00 0.00 0.00 175.10 174.29 2wg3 s PRO 50 N 1.56 1.52 -1.48 2.72 0.04 -1.26 -1.16 135.00 136.94 2wg3 s PRO 50 Ca -0.01 1.23 -0.10 0.00 0.04 0.00 0.00 61.00 62.16 2wg3 s PRO 50 Cb -0.13 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.62 2wg3 s PRO 50 CO -0.03 -2.18 2.54 0.41 0.04 0.00 0.00 177.00 177.79 2wg3 n GLY 51 N -0.62 4.58 3.29 0.56 0.00 -1.21 -4.83 105.19 106.97 2wg3 n GLY 51 Ca 0.09 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 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 1.36 0.09 0.58 1.61 -7.23 -1.26 -5.10 120.40 110.45 2wg3 s VAL 52 Ca 0.58 -1.35 -0.20 0.00 -1.81 0.00 0.00 61.98 59.20 2wg3 s VAL 52 Cb 0.16 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 2wg3 s VAL 52 CO -0.07 -0.40 1.27 -2.65 -0.31 0.00 0.00 175.10 172.94 2wg3 n PRO 53 N -0.17 1.40 -0.29 4.82 -0.02 -1.26 -4.87 135.00 134.62 2wg3 n PRO 53 Ca -0.09 0.53 0.16 0.00 -2.02 0.00 0.00 63.50 62.07 2wg3 n PRO 53 Cb 0.63 -2.49 0.43 0.00 -0.02 0.00 0.00 33.50 32.05 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 1.04 0.55 -0.61 -0.52 4.81 -1.96 -2.13 114.58 115.76 2wg3 h GLU 54 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2wg3 h GLU 54 Cb 1.32 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2wg3 h GLU 54 CO 0.55 0.37 0.00 0.54 -0.73 0.00 0.00 179.01 179.74 2wg3 n ARG 55 N -4.60 2.95 -0.92 1.92 1.74 -1.26 -1.50 116.66 114.99 2wg3 n ARG 55 Ca 0.20 -2.17 -0.31 0.00 -0.77 0.00 0.00 57.85 54.81 2wg3 n ARG 55 Cb 0.63 -1.69 0.15 0.00 -1.02 0.00 0.00 32.46 30.53 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 -1.67 2.53 0.18 0.55 2.01 -0.80 -2.99 115.64 115.44 2wg3 s THR 56 Ca 0.39 0.17 0.15 0.00 0.31 0.00 0.00 61.69 62.71 2wg3 s THR 56 Cb 0.24 -2.40 0.05 0.00 0.01 0.00 0.00 72.50 70.40 2wg3 s THR 56 CO 0.20 -0.22 1.64 -0.07 -0.69 0.00 0.00 174.62 175.47 2wg3 h LEU 57 N -1.67 0.00 -1.27 4.42 3.38 -1.90 0.92 115.31 119.18 2wg3 h LEU 57 Ca -0.46 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.57 2wg3 h LEU 57 Cb 1.26 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 2wg3 h LEU 57 CO 0.47 0.51 0.52 1.23 0.09 0.00 0.00 178.44 181.27 2wg3 h GLY 58 N 2.17 1.11 0.00 0.83 0.00 -1.93 -3.42 103.07 101.83 2wg3 h GLY 58 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2wg3 h GLY 58 CO 0.07 0.28 0.00 0.00 0.00 0.00 0.00 176.54 176.88 2wg3 n ALA 59 N -2.42 0.00 1.34 3.60 0.00 -1.09 -4.91 120.51 117.02 2wg3 n ALA 59 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.69 2wg3 n ALA 59 Cb 0.19 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.05 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 1.39 0.00 0.00 7.64 -0.56 -4.74 113.62 117.35 2wg3 n SER 60 Ca 0.00 -1.26 0.00 0.00 1.01 0.00 0.00 58.87 58.62 2wg3 n SER 60 Cb 0.00 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 1.27 -1.36 3.76 0.23 0.00 0.30 -3.62 105.19 105.77 2wg3 n GLY 61 Ca 0.15 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.60 3.62 0.62 1.61 0.02 -1.16 -4.22 135.00 133.89 2wg3 s PRO 62 Ca 0.00 1.93 -0.19 0.00 0.02 0.00 0.00 61.00 62.76 2wg3 s PRO 62 Cb 0.00 -2.41 -0.02 0.00 0.02 0.00 0.00 34.50 32.09 2wg3 s PRO 62 CO 0.00 -0.71 1.30 0.00 -0.33 0.00 0.00 177.00 177.26 2wg3 n ALA 63 N -0.55 1.23 0.00 -1.55 0.00 -1.26 -4.89 120.51 113.49 2wg3 n ALA 63 Ca 0.08 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2wg3 n ALA 63 Cb 0.47 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.59 2wg3 n ALA 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wg3 n GLU 64 N -1.63 0.51 0.00 0.00 1.02 -1.26 -5.11 120.64 114.17 2wg3 n GLU 64 Ca 0.14 -0.88 0.00 0.00 -0.02 0.00 0.00 57.16 56.40 2wg3 n GLU 64 Cb 0.47 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.89 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 -0.19 3.37 3.72 0.62 0.00 -1.26 -5.07 105.19 106.39 2wg3 n GLY 65 Ca 0.00 -1.86 -0.36 0.00 0.00 0.00 0.00 46.02 43.80 2wg3 n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wg3 s ARG 66 N -3.38 2.33 -0.33 1.61 0.52 -1.26 -4.67 118.95 113.76 2wg3 s ARG 66 Ca 0.00 1.93 -0.08 0.00 -0.52 0.00 0.00 55.73 57.06 2wg3 s ARG 66 Cb 0.00 -1.84 0.02 0.00 0.52 0.00 0.00 34.95 33.66 2wg3 s ARG 66 CO 0.00 -1.73 0.12 0.08 0.02 0.00 0.00 175.30 173.79 2wg3 s VAL 67 N -1.67 4.06 0.43 3.52 1.01 0.61 -4.98 120.40 123.39 2wg3 s VAL 67 Ca 0.79 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 2wg3 s VAL 67 Cb -0.34 -3.21 -0.08 0.00 0.00 0.00 0.00 36.38 32.76 2wg3 s VAL 67 CO 0.42 -0.09 0.87 0.00 0.00 0.00 0.00 175.10 176.30 2wg3 s ALA 68 N 1.48 3.20 -0.07 5.51 0.00 -1.26 -4.86 121.76 125.76 2wg3 s ALA 68 Ca 0.01 0.07 -0.29 0.00 0.00 0.00 0.00 51.96 51.75 2wg3 s ALA 68 Cb -0.18 -2.93 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 2wg3 s ALA 68 CO 0.04 0.00 1.82 0.50 0.00 0.00 0.00 175.76 178.12 2wg3 s ARG 69 N -3.64 3.98 0.00 0.00 3.52 -1.26 -2.97 118.95 118.58 2wg3 s ARG 69 Ca 0.56 2.23 0.00 0.00 -0.13 0.00 0.00 55.73 58.39 2wg3 s ARG 69 Cb -0.10 -4.10 0.00 0.00 -1.56 0.00 0.00 34.95 29.19 2wg3 s ARG 69 CO 0.26 -1.10 0.00 0.41 -0.81 0.00 0.00 175.30 174.05 2wg3 n GLY 70 N 4.55 1.31 3.91 8.12 0.00 -1.26 -5.12 105.19 116.71 2wg3 n GLY 70 Ca 0.20 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 2wg3 n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wg3 n SER 71 N 0.18 2.59 -0.03 1.61 3.41 -1.16 -5.03 113.62 115.19 2wg3 n SER 71 Ca 0.00 -2.81 -0.14 0.00 -0.26 0.00 0.00 58.87 55.65 2wg3 n SER 71 Cb 0.02 -0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 63.70 2wg3 n SER 71 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2wg3 h GLU 72 N 0.00 0.16 0.00 4.33 4.39 -2.00 -3.19 114.58 118.27 2wg3 h GLU 72 Ca -0.33 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.23 2wg3 h GLU 72 Cb 1.29 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 2wg3 h GLU 72 CO 0.51 0.81 0.00 0.54 -1.16 0.00 0.00 179.01 179.70 2wg3 n ARG 73 N -4.59 0.18 -0.03 2.33 1.74 -1.26 -2.21 116.66 112.82 2wg3 n ARG 73 Ca -0.09 0.37 -0.07 0.00 -0.77 0.00 0.00 57.85 57.29 2wg3 n ARG 73 Cb 0.43 -1.82 0.11 0.00 -1.02 0.00 0.00 32.46 30.16 2wg3 n ARG 73 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2wg3 h PHE 74 N 0.00 0.73 -0.97 -1.55 3.57 -1.79 -2.64 116.94 114.28 2wg3 h PHE 74 Ca 0.00 -0.19 0.23 0.00 3.53 0.00 0.00 57.97 61.54 2wg3 h PHE 74 Cb 0.41 -0.17 -0.08 0.00 2.79 0.00 0.00 35.95 38.90 2wg3 h PHE 74 CO 0.00 0.88 0.63 -0.09 -2.23 0.00 0.00 178.31 177.50 2wg3 h ARG 75 N 0.53 0.41 0.00 1.11 2.43 -1.48 0.25 114.38 117.64 2wg3 h ARG 75 Ca 0.06 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2wg3 h ARG 75 Cb 0.82 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2wg3 h ARG 75 CO 0.07 0.27 0.00 -0.25 -1.51 0.00 0.00 179.97 178.55 2wg3 n ASP 76 N -4.56 0.00 -4.66 -3.80 9.92 -1.00 -4.56 116.55 107.89 2wg3 n ASP 76 Ca 0.22 0.26 -0.43 0.00 -0.53 0.00 0.00 54.79 54.32 2wg3 n ASP 76 Cb 0.77 -0.41 -0.03 0.00 -0.64 0.00 0.00 41.12 40.81 2wg3 n ASP 76 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2wg3 s LEU 77 N -2.83 4.10 -0.02 0.64 1.43 0.07 -4.34 118.68 117.74 2wg3 s LEU 77 Ca 0.17 1.27 0.02 0.00 -1.03 0.00 0.00 54.13 54.57 2wg3 s LEU 77 Cb 0.17 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 42.93 2wg3 s LEU 77 CO 0.44 -0.61 -0.06 -0.69 0.23 0.00 0.00 176.35 175.66 2wg3 s VAL 78 N 3.04 3.71 -0.35 -1.59 1.01 -0.20 -4.82 120.40 121.20 2wg3 s VAL 78 Ca 0.41 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 2wg3 s VAL 78 Cb -0.15 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.66 2wg3 s VAL 78 CO 0.07 0.45 1.10 -2.84 0.00 0.00 0.00 175.10 173.87 2wg3 s PRO 79 N -1.27 4.00 -0.11 2.72 0.02 -1.26 -1.88 135.00 137.21 2wg3 s PRO 79 Ca 0.16 0.98 -0.29 0.00 0.02 0.00 0.00 61.00 61.87 2wg3 s PRO 79 Cb -0.11 -3.77 -0.04 0.00 0.02 0.00 0.00 34.50 30.59 2wg3 s PRO 79 CO 0.06 -1.00 1.56 1.21 -0.33 0.00 0.00 177.00 178.50 2wg3 s ASN 80 N 1.85 6.66 -0.38 2.53 3.84 0.21 -4.92 114.94 124.74 2wg3 s ASN 80 Ca 0.46 1.99 0.06 0.00 0.21 0.00 0.00 52.86 55.58 2wg3 s ASN 80 Cb -0.11 -2.53 0.48 0.00 -0.55 0.00 0.00 41.25 38.53 2wg3 s ASN 80 CO 0.19 -0.96 1.50 -1.22 -2.79 0.00 0.00 177.10 173.81 2wg3 n TYR 81 N 7.30 2.21 -1.95 0.43 4.01 -1.26 -4.79 117.16 123.12 2wg3 n TYR 81 Ca 0.17 -2.17 -0.43 0.00 -0.16 0.00 0.00 57.90 55.32 2wg3 n TYR 81 Cb 0.44 -0.66 -0.03 0.00 -0.31 0.00 0.00 39.34 38.78 2wg3 n TYR 81 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2wg3 s ASN 82 N -2.77 6.28 0.00 7.72 3.84 -1.26 -4.85 114.94 123.89 2wg3 s ASN 82 Ca 0.52 1.90 0.15 0.00 0.21 0.00 0.00 52.86 55.64 2wg3 s ASN 82 Cb 0.43 -2.53 0.84 0.00 -0.55 0.00 0.00 41.25 39.45 2wg3 s ASN 82 CO 0.01 -1.30 1.37 -0.81 -2.79 0.00 0.00 177.10 173.58 2wg3 n PRO 83 N 7.75 0.36 -0.13 0.43 -0.04 -1.26 -1.66 135.00 140.45 2wg3 n PRO 83 Ca 0.21 0.07 0.11 0.00 -0.04 0.00 0.00 63.50 63.84 2wg3 n PRO 83 Cb 0.44 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.13 2.56 -4.16 3.54 8.00 -1.26 -4.83 116.55 119.27 2wg3 n ASP 84 Ca 0.10 -1.86 -0.29 0.00 0.71 0.00 0.00 54.79 53.44 2wg3 n ASP 84 Cb 0.08 -0.18 -0.17 0.00 -0.02 0.00 0.00 41.12 40.84 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 -1.65 1.71 -0.27 0.53 1.01 -0.66 -4.26 121.20 117.61 2wg3 s ILE 85 Ca 0.35 -0.83 -0.23 0.00 0.00 0.00 0.00 60.65 59.93 2wg3 s ILE 85 Cb 0.20 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 2wg3 s ILE 85 CO 0.29 0.48 0.77 -0.63 0.00 0.00 0.00 174.94 175.85 2wg3 s ILE 86 N 0.29 4.85 -0.17 2.92 -1.09 -0.53 -4.86 121.20 122.61 2wg3 s ILE 86 Ca -0.13 1.34 -0.04 0.00 -2.23 0.00 0.00 60.65 59.59 2wg3 s ILE 86 Cb -0.16 -4.09 -0.02 0.00 -1.58 0.00 0.00 42.46 36.61 2wg3 s ILE 86 CO 0.06 -0.11 -0.03 -0.36 -1.23 0.00 0.00 174.94 173.26 2wg3 s PHE 87 N 2.81 3.01 0.10 3.97 0.08 -1.26 -0.69 117.98 125.99 2wg3 s PHE 87 Ca 0.32 -0.38 -0.31 0.00 0.12 0.00 0.00 56.93 56.68 2wg3 s PHE 87 Cb -0.15 -1.99 -0.07 0.00 -0.57 0.00 0.00 43.02 40.24 2wg3 s PHE 87 CO 0.09 -0.12 1.32 0.15 -0.10 0.00 0.00 175.22 176.56 2wg3 s LYS 88 N 0.56 4.37 0.00 0.44 1.02 -1.09 -5.00 119.74 120.03 2wg3 s LYS 88 Ca -0.03 1.96 0.00 0.00 0.02 0.00 0.00 55.97 57.93 2wg3 s LYS 88 Cb -0.14 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 2wg3 s LYS 88 CO 0.03 -0.36 0.00 0.45 -0.92 0.00 0.00 175.35 174.55 2wg3 n SER 93 N 3.87 0.00 0.00 2.83 2.88 -1.26 -5.10 113.62 116.84 2wg3 n SER 93 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 2wg3 n SER 93 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 2wg3 n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wg3 n GLY 94 N 0.00 0.37 0.25 0.46 0.00 -1.26 -4.92 105.19 100.09 2wg3 n GLY 94 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 1.79 0.00 4.61 0.00 -1.98 -2.09 119.26 121.60 2wg3 h ALA 95 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wg3 h ALA 95 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wg3 h ALA 95 CO 0.00 0.11 0.00 -0.40 0.00 0.00 0.00 179.25 178.96 2wg3 n ASP 96 N -4.35 0.00 -0.01 0.00 5.75 -1.26 -2.33 116.55 114.35 2wg3 n ASP 96 Ca -0.03 -1.14 -0.00 0.00 -0.01 0.00 0.00 54.79 53.61 2wg3 n ASP 96 Cb 0.16 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.13 2wg3 n ASP 96 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wg3 n ARG 97 N -0.78 0.65 -2.19 0.11 1.74 -0.79 -4.39 116.66 111.01 2wg3 n ARG 97 Ca 0.11 0.07 -0.43 0.00 -0.77 0.00 0.00 57.85 56.83 2wg3 n ARG 97 Cb 0.05 -1.67 -0.02 0.00 -1.02 0.00 0.00 32.46 29.80 2wg3 n ARG 97 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wg3 s LEU 98 N -5.42 4.23 0.32 0.55 1.43 -0.98 -0.62 118.68 118.19 2wg3 s LEU 98 Ca -0.06 1.96 -0.09 0.00 -1.03 0.00 0.00 54.13 54.91 2wg3 s LEU 98 Cb 0.09 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.79 2wg3 s LEU 98 CO 0.84 -0.88 0.54 0.00 0.23 0.00 0.00 176.35 177.08 2wg3 s MET 99 N 3.85 1.85 0.58 1.70 0.23 -0.79 -4.16 119.30 122.57 2wg3 s MET 99 Ca 0.65 -1.52 -0.08 0.00 -1.03 0.00 0.00 55.69 53.72 2wg3 s MET 99 Cb -0.28 0.49 -0.02 0.00 -1.53 0.00 0.00 34.83 33.50 2wg3 s MET 99 CO 0.23 -0.79 0.92 0.95 -2.03 0.00 0.00 175.02 174.30 2wg3 s THR 100 N -3.24 4.27 0.27 3.16 -4.23 -0.77 -1.03 115.64 114.08 2wg3 s THR 100 Ca 0.25 0.32 -0.01 0.00 -1.18 0.00 0.00 61.69 61.08 2wg3 s THR 100 Cb -0.01 -3.68 0.27 0.00 1.34 0.00 0.00 72.50 70.42 2wg3 s THR 100 CO 0.15 -0.76 1.85 -0.08 -0.54 0.00 0.00 174.62 175.24 2wg3 h GLU 101 N -0.14 1.04 -0.29 3.99 4.57 -1.93 -0.54 114.58 121.27 2wg3 h GLU 101 Ca -0.46 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 57.63 2wg3 h GLU 101 Cb 1.22 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.57 2wg3 h GLU 101 CO 0.62 0.69 0.04 -0.09 -1.18 0.00 0.00 179.01 179.09 2wg3 h ARG 102 N 1.07 0.48 -0.78 1.92 2.43 -1.93 -1.96 114.38 115.61 2wg3 h ARG 102 Ca 0.47 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.45 2wg3 h ARG 102 Cb 0.34 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 2wg3 h ARG 102 CO -0.22 0.59 0.29 0.00 -1.51 0.00 0.00 179.97 179.12 2wg3 h LYS 104 N 1.14 0.43 -0.28 0.00 3.64 -0.99 -0.56 116.57 119.95 2wg3 h LYS 104 Ca 0.26 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.67 2wg3 h LYS 104 Cb 0.25 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 2wg3 h LYS 104 CO -0.02 0.30 -0.14 1.49 -2.27 0.00 0.00 179.45 178.81 2wg3 h GLU 105 N 0.43 -0.10 -0.26 1.90 4.57 -1.18 -0.37 114.58 119.58 2wg3 h GLU 105 Ca 0.12 0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.11 2wg3 h GLU 105 Cb -0.04 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 2wg3 h GLU 105 CO -0.02 -0.07 -0.59 0.00 -1.18 0.00 0.00 179.01 177.15 2wg3 h ARG 106 N -0.10 0.86 -0.66 1.92 -0.00 -1.33 -1.40 114.38 113.67 2wg3 h ARG 106 Ca 0.15 -0.58 -0.08 0.00 -0.50 0.00 0.00 59.98 58.97 2wg3 h ARG 106 Cb 0.32 0.08 -0.03 0.00 0.00 0.00 0.00 29.97 30.35 2wg3 h ARG 106 CO -0.34 1.21 0.11 -0.24 0.00 0.00 0.00 179.97 180.70 2wg3 h VAL 107 N 0.64 1.26 -0.55 2.04 3.04 -0.95 0.16 116.25 121.90 2wg3 h VAL 107 Ca 0.00 -1.03 -0.09 0.00 -1.01 0.00 0.00 66.70 64.57 2wg3 h VAL 107 Cb 1.20 0.66 -0.02 0.00 -2.01 0.00 0.00 31.29 31.11 2wg3 h VAL 107 CO 0.13 0.39 -0.02 0.78 -1.01 0.00 0.00 177.57 177.84 2wg3 h ASN 108 N 1.01 0.93 -0.40 3.17 2.35 -0.96 -0.21 115.58 121.46 2wg3 h ASN 108 Ca 0.20 -0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 2wg3 h ASN 108 Cb 0.44 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2wg3 h ASN 108 CO 0.01 1.00 0.01 0.00 -1.65 0.00 0.00 177.43 176.81 2wg3 h ALA 109 N 1.10 0.54 -0.25 -0.83 0.00 -0.89 -2.96 119.26 115.96 2wg3 h ALA 109 Ca 0.16 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2wg3 h ALA 109 Cb 0.54 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2wg3 h ALA 109 CO 0.03 0.30 -0.13 1.25 0.00 0.00 0.00 179.25 180.70 2wg3 h LEU 110 N 0.53 0.39 -0.19 0.00 5.85 -0.41 -2.41 115.31 119.07 2wg3 h LEU 110 Ca 0.12 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2wg3 h LEU 110 Cb 0.45 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2wg3 h LEU 110 CO 0.02 0.55 0.10 0.00 -0.34 0.00 0.00 178.44 178.77 2wg3 h ALA 111 N 1.49 0.24 -0.51 1.25 0.00 -0.89 -0.60 119.26 120.25 2wg3 h ALA 111 Ca 0.07 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2wg3 h ALA 111 Cb 0.46 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 2wg3 h ALA 111 CO 0.03 -0.21 0.13 0.82 0.00 0.00 0.00 179.25 180.02 2wg3 h ILE 112 N 0.19 0.75 -0.34 0.00 1.08 -1.35 -1.66 117.51 116.17 2wg3 h ILE 112 Ca 0.07 -0.09 0.04 0.00 -0.39 0.00 0.00 64.86 64.48 2wg3 h ILE 112 Cb 0.10 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 34.25 2wg3 h ILE 112 CO -0.01 0.05 0.10 0.00 -0.69 0.00 0.00 178.15 177.60 2wg3 h ALA 113 N 1.38 0.39 -0.47 1.87 0.00 -1.01 0.59 119.26 122.01 2wg3 h ALA 113 Ca 0.25 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.23 2wg3 h ALA 113 Cb 0.32 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2wg3 h ALA 113 CO -0.31 -0.30 0.28 0.28 0.00 0.00 0.00 179.25 179.20 2wg3 h VAL 114 N 0.24 1.05 0.04 0.00 2.07 -0.86 0.67 116.25 119.46 2wg3 h VAL 114 Ca 0.16 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.49 2wg3 h VAL 114 Cb 0.15 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2wg3 h VAL 114 CO -0.18 0.10 -0.08 0.24 0.02 0.00 0.00 177.57 177.68 2wg3 h MET 115 N 0.56 -0.15 0.00 1.57 2.07 -0.78 -1.51 114.93 116.70 2wg3 h MET 115 Ca 0.18 0.01 -0.02 0.00 -2.07 0.00 0.00 59.70 57.81 2wg3 h MET 115 Cb 0.01 0.03 -0.00 0.00 -1.87 0.00 0.00 31.60 29.77 2wg3 h MET 115 CO -0.08 -0.10 -0.09 -0.91 1.07 0.00 0.00 176.91 176.80 2wg3 h ASN 116 N -0.15 0.00 0.24 1.22 2.35 -0.56 -3.04 115.58 115.64 2wg3 h ASN 116 Ca 0.02 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.43 2wg3 h ASN 116 Cb 0.17 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.57 2wg3 h ASN 116 CO -0.05 0.09 -1.53 -0.03 -1.65 0.00 0.00 177.43 174.25 2wg3 h MET 117 N 0.00 0.52 -3.45 0.81 4.05 -0.52 -3.44 114.93 112.90 2wg3 h MET 117 Ca -0.00 -0.88 -0.59 0.00 -0.28 0.00 0.00 59.70 57.95 2wg3 h MET 117 Cb 0.17 0.33 -0.40 0.00 -0.80 0.00 0.00 31.60 30.90 2wg3 h MET 117 CO 0.01 1.42 -0.76 -1.58 0.23 0.00 0.00 176.91 176.24 2wg3 s TRP 118 N -2.59 1.77 -0.42 1.39 0.51 -0.60 -5.10 118.94 113.91 2wg3 s TRP 118 Ca -0.10 -1.89 -0.44 0.00 -2.12 0.00 0.00 56.10 51.55 2wg3 s TRP 118 Cb 0.04 -1.75 -0.18 0.00 -0.81 0.00 0.00 33.47 30.77 2wg3 s TRP 118 CO 0.93 -0.86 1.77 -2.30 -0.51 0.00 0.00 176.95 175.97 2wg3 n PRO 119 N 4.58 0.45 -0.90 4.98 -0.02 -1.25 -0.55 135.00 142.29 2wg3 n PRO 119 Ca 0.01 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2wg3 n PRO 119 Cb 0.40 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 4.75 0.90 3.90 -1.23 0.00 -1.26 -5.04 105.19 107.21 2wg3 n GLY 120 Ca 0.34 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.57 5.36 0.06 1.61 1.01 0.29 -4.97 120.40 120.19 2wg3 s VAL 121 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.87 2wg3 s VAL 121 Cb 0.00 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2wg3 s VAL 121 CO 0.00 0.24 -0.10 -0.13 0.00 0.00 0.00 175.10 175.11 2wg3 s ARG 122 N -2.18 0.67 0.30 2.72 0.52 -1.26 -3.98 118.95 115.75 2wg3 s ARG 122 Ca 0.31 -0.90 -0.30 0.00 -0.52 0.00 0.00 55.73 54.33 2wg3 s ARG 122 Cb -0.13 -0.49 -0.12 0.00 0.52 0.00 0.00 34.95 34.74 2wg3 s ARG 122 CO 0.22 0.09 1.54 -0.11 0.02 0.00 0.00 175.30 177.06 2wg3 n LEU 123 N 1.22 4.23 -3.90 2.53 7.94 -1.26 -0.46 117.00 127.29 2wg3 n LEU 123 Ca -0.21 1.16 -0.26 0.00 -1.11 0.00 0.00 56.01 55.60 2wg3 n LEU 123 Cb 0.55 -1.57 -0.17 0.00 0.53 0.00 0.00 43.42 42.76 2wg3 n LEU 123 CO 0.22 0.04 -0.43 -0.60 -1.11 0.00 0.00 177.39 175.51 2wg3 s ARG 124 N -0.83 1.38 -0.27 1.96 3.52 0.58 -1.46 118.95 123.84 2wg3 s ARG 124 Ca 0.62 -0.22 -0.13 0.00 -0.13 0.00 0.00 55.73 55.88 2wg3 s ARG 124 Cb -0.52 -1.43 -0.04 0.00 -1.56 0.00 0.00 34.95 31.40 2wg3 s ARG 124 CO 0.52 -0.22 0.28 0.08 -0.81 0.00 0.00 175.30 175.14 2wg3 s VAL 125 N 1.55 5.25 -0.25 7.11 1.01 0.13 0.29 120.40 135.49 2wg3 s VAL 125 Ca 0.01 0.36 0.22 0.00 0.00 0.00 0.00 61.98 62.57 2wg3 s VAL 125 Cb -0.13 -3.61 -0.26 0.00 0.00 0.00 0.00 36.38 32.38 2wg3 s VAL 125 CO -0.06 0.21 0.67 0.35 0.00 0.00 0.00 175.10 176.27 2wg3 n THR 126 N 5.08 0.10 -3.64 3.92 -2.24 -0.47 -2.67 114.28 114.37 2wg3 n THR 126 Ca -0.11 -0.41 -0.10 0.00 -2.27 0.00 0.00 64.05 61.16 2wg3 n THR 126 Cb 0.51 0.12 -0.07 0.00 -2.10 0.00 0.00 70.33 68.79 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 -3.39 0.61 0.00 -0.78 2.56 -1.23 -4.88 118.70 111.60 2wg3 s GLU 127 Ca -0.04 0.79 0.00 0.00 0.00 0.00 0.00 54.97 55.73 2wg3 s GLU 127 Cb 0.14 0.26 0.00 0.00 2.00 0.00 0.00 34.13 36.53 2wg3 s GLU 127 CO 0.88 -0.08 0.00 0.41 -0.56 0.00 0.00 175.26 175.90 2wg3 n GLY 128 N 2.76 1.81 3.73 -1.50 0.00 -1.26 -0.36 105.19 110.36 2wg3 n GLY 128 Ca -0.14 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 1.46 3.72 -0.17 1.61 -0.00 -1.21 -4.65 118.94 119.70 2wg3 s TRP 129 Ca 0.00 1.71 -0.01 0.00 -0.00 0.00 0.00 56.10 57.79 2wg3 s TRP 129 Cb 0.00 -3.14 -0.01 0.00 -0.00 0.00 0.00 33.47 30.32 2wg3 s TRP 129 CO 0.00 -0.11 -0.11 0.34 -0.00 0.00 0.00 176.95 177.07 2wg3 s ASP 130 N 0.21 4.01 0.00 5.86 2.15 -0.04 -4.43 116.67 124.42 2wg3 s ASP 130 Ca 0.49 -0.39 0.11 0.00 0.43 0.00 0.00 52.55 53.19 2wg3 s ASP 130 Cb -0.25 -1.64 -0.08 0.00 -0.30 0.00 0.00 42.92 40.65 2wg3 s ASP 130 CO 0.31 0.08 0.52 -1.84 -0.17 0.00 0.00 175.17 174.07 2wg3 n GLU 131 N 4.09 3.04 -1.15 4.34 0.28 -1.26 -4.57 120.64 125.41 2wg3 n GLU 131 Ca -0.18 -0.20 -0.20 0.00 -0.16 0.00 0.00 57.16 56.41 2wg3 n GLU 131 Cb 0.52 -1.04 0.18 0.00 1.43 0.00 0.00 31.44 32.53 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 -0.92 3.58 -3.85 -1.84 8.00 -1.26 -4.95 116.55 115.31 2wg3 n ASP 132 Ca 0.03 -3.66 -0.30 0.00 0.71 0.00 0.00 54.79 51.57 2wg3 n ASP 132 Cb 0.19 -0.80 -0.03 0.00 -0.02 0.00 0.00 41.12 40.46 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 -1.14 -0.45 0.50 0.44 0.00 -1.26 -4.87 105.19 98.40 2wg3 n GLY 133 Ca 0.54 0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.69 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 -3.92 0.36 -4.27 1.61 8.25 -1.26 -4.96 115.22 111.03 2wg3 n HIS 134 Ca 0.05 -0.17 -0.15 0.00 -0.26 0.00 0.00 57.72 57.19 2wg3 n HIS 134 Cb 0.49 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 31.48 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 -1.66 1.36 0.53 4.41 3.76 -1.26 -5.13 115.29 117.30 2wg3 s HIS 135 Ca 0.17 -0.70 -0.22 0.00 -0.15 0.00 0.00 55.06 54.16 2wg3 s HIS 135 Cb 0.09 -0.68 -0.06 0.00 1.11 0.00 0.00 32.58 33.04 2wg3 s HIS 135 CO 0.11 0.14 1.22 0.00 -0.85 0.00 0.00 174.74 175.37 2wg3 n ALA 136 N -0.15 1.09 -1.71 -1.40 0.00 -1.26 -4.90 120.51 112.17 2wg3 n ALA 136 Ca -0.10 0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 2wg3 n ALA 136 Cb 0.60 -2.26 -0.01 0.00 0.00 0.00 0.00 19.45 17.78 2wg3 n ALA 136 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wg3 n GLN 137 N -0.77 2.24 -1.63 0.00 7.27 -1.26 -1.86 117.38 121.37 2wg3 n GLN 137 Ca 0.11 0.78 -0.13 0.00 0.07 0.00 0.00 57.00 57.83 2wg3 n GLN 137 Cb 0.44 -2.40 -0.04 0.00 2.41 0.00 0.00 30.24 30.65 2wg3 n GLN 137 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2wg3 n ASP 138 N 0.70 -4.48 -4.77 1.69 8.00 -1.26 -5.02 116.55 111.41 2wg3 n ASP 138 Ca 0.04 0.23 -0.38 0.00 0.71 0.00 0.00 54.79 55.39 2wg3 n ASP 138 Cb 0.37 -3.29 -0.05 0.00 -0.02 0.00 0.00 41.12 38.12 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 -2.73 7.22 0.00 -2.24 0.15 -0.78 -4.73 113.70 110.59 2wg3 s SER 139 Ca 0.00 2.03 0.28 0.00 0.70 0.00 0.00 55.95 58.96 2wg3 s SER 139 Cb 0.00 -2.60 1.23 0.00 -1.71 0.00 0.00 66.02 62.94 2wg3 s SER 139 CO 0.00 -0.16 1.91 0.18 1.20 0.00 0.00 173.24 176.37 2wg3 n LEU 140 N 0.73 0.00 0.25 3.45 4.77 -1.26 -1.75 117.00 123.19 2wg3 n LEU 140 Ca 0.01 0.47 0.17 0.00 -0.03 0.00 0.00 56.01 56.63 2wg3 n LEU 140 Cb 0.48 -0.47 0.72 0.00 -2.33 0.00 0.00 43.42 41.82 2wg3 n LEU 140 CO 0.48 -0.02 0.99 0.45 -1.33 0.00 0.00 177.39 177.96 2wg3 h HIS 141 N 0.00 0.00 0.00 -1.77 3.86 -1.83 -2.17 115.15 113.24 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 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 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 -2.88 0.00 -0.41 2.45 4.01 -0.72 -0.86 117.16 118.75 2wg3 n TYR 142 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2wg3 n TYR 142 Cb 0.25 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 -1.24 -0.18 -1.00 -0.72 1.02 -0.94 -0.28 120.64 117.30 2wg3 n GLU 143 Ca 0.14 -0.43 -0.00 0.00 -0.02 0.00 0.00 57.16 56.84 2wg3 n GLU 143 Cb 0.19 -0.80 -0.00 0.00 -0.02 0.00 0.00 31.44 30.81 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 -0.05 0.40 0.31 0.62 0.00 -1.18 -4.79 105.19 100.50 2wg3 n GLY 144 Ca 0.00 -0.93 0.03 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.00 2.45 -3.85 1.61 1.74 -0.86 -1.84 116.66 112.91 2wg3 n ARG 145 Ca -0.00 -1.63 -0.13 0.00 -0.77 0.00 0.00 57.85 55.31 2wg3 n ARG 145 Cb 0.00 -1.13 -0.15 0.00 -1.02 0.00 0.00 32.46 30.16 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 -0.92 0.06 0.01 7.54 0.00 -1.19 -1.33 121.76 125.93 2wg3 s ALA 146 Ca 0.11 0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.22 2wg3 s ALA 146 Cb 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 2wg3 s ALA 146 CO 0.08 -0.04 -0.15 -0.51 0.00 0.00 0.00 175.76 175.14 2wg3 s LEU 147 N 0.39 2.08 -0.14 0.00 1.43 0.21 -4.46 118.68 118.20 2wg3 s LEU 147 Ca -0.03 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 2wg3 s LEU 147 Cb -0.05 -0.73 -0.05 0.00 0.03 0.00 0.00 46.19 45.39 2wg3 s LEU 147 CO -0.01 0.14 0.22 -1.81 0.23 0.00 0.00 176.35 175.12 2wg3 s ASP 148 N -0.65 6.41 0.12 2.29 1.01 0.51 -1.07 116.67 125.30 2wg3 s ASP 148 Ca 0.05 0.48 0.05 0.00 0.71 0.00 0.00 52.55 53.84 2wg3 s ASP 148 Cb -0.07 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 2wg3 s ASP 148 CO 0.00 0.23 -0.12 0.27 0.21 0.00 0.00 175.17 175.76 2wg3 s ILE 149 N -0.14 1.19 0.25 0.77 -4.36 0.55 -1.37 121.20 118.09 2wg3 s ILE 149 Ca 0.15 -1.78 -0.02 0.00 -0.26 0.00 0.00 60.65 58.74 2wg3 s ILE 149 Cb -0.13 -1.55 -0.03 0.00 1.25 0.00 0.00 42.46 42.00 2wg3 s ILE 149 CO 0.04 -0.53 0.27 0.42 0.24 0.00 0.00 174.94 175.37 2wg3 s THR 150 N -2.50 0.00 0.48 8.37 -4.23 0.15 -1.90 115.64 116.01 2wg3 s THR 150 Ca 0.10 -1.83 -0.10 0.00 -1.18 0.00 0.00 61.69 58.67 2wg3 s THR 150 Cb -0.03 -2.46 -0.06 0.00 1.34 0.00 0.00 72.50 71.29 2wg3 s THR 150 CO 0.02 0.00 0.86 0.42 -0.54 0.00 0.00 174.62 175.38 2wg3 s THR 151 N -3.85 4.76 -0.27 3.99 -4.23 -1.26 -0.30 115.64 114.47 2wg3 s THR 151 Ca 0.35 0.67 0.22 0.00 -1.18 0.00 0.00 61.69 61.75 2wg3 s THR 151 Cb 0.04 -3.79 0.27 0.00 1.34 0.00 0.00 72.50 70.36 2wg3 s THR 151 CO 0.15 -0.74 1.63 0.77 -0.54 0.00 0.00 174.62 175.89 2wg3 h SER 152 N 0.66 0.00 0.48 3.99 4.64 -1.08 -1.97 113.55 120.27 2wg3 h SER 152 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2wg3 h SER 152 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2wg3 h SER 152 CO 0.63 0.13 -0.03 -0.90 -0.87 0.00 0.00 176.83 175.79 2wg3 n ASP 153 N -3.15 0.12 -3.04 4.97 5.75 -1.26 -4.94 116.55 115.00 2wg3 n ASP 153 Ca 0.03 -0.31 -0.22 0.00 -0.01 0.00 0.00 54.79 54.27 2wg3 n ASP 153 Cb 0.54 -0.21 0.03 0.00 -1.03 0.00 0.00 41.12 40.46 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 -1.18 -4.71 -2.80 0.11 1.74 -0.74 -4.94 116.66 104.14 2wg3 n ARG 154 Ca 0.15 0.87 -0.43 0.00 -0.77 0.00 0.00 57.85 57.67 2wg3 n ARG 154 Cb 0.24 -5.72 -0.04 0.00 -1.02 0.00 0.00 32.46 25.92 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 -2.69 6.44 0.50 0.55 -1.08 -1.26 -4.92 116.67 114.20 2wg3 s ASP 155 Ca 0.31 -0.05 0.28 0.00 -0.52 0.00 0.00 52.55 52.56 2wg3 s ASP 155 Cb -0.14 -2.46 1.25 0.00 -1.46 0.00 0.00 42.92 40.11 2wg3 s ASP 155 CO 0.38 -1.17 1.96 0.03 0.52 0.00 0.00 175.17 176.89 2wg3 h ARG 156 N 9.22 0.00 0.00 4.34 3.08 -1.92 -2.13 114.38 126.98 2wg3 h ARG 156 Ca -0.25 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 2wg3 h ARG 156 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 2wg3 h ARG 156 CO 1.07 0.14 -0.06 -0.91 -1.07 0.00 0.00 179.97 179.13 2wg3 h ASN 157 N 0.00 0.00 0.76 7.04 2.35 -1.93 -2.45 115.58 121.35 2wg3 h ASN 157 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2wg3 h ASN 157 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2wg3 h ASN 157 CO 0.02 0.06 0.00 0.29 -1.65 0.00 0.00 177.43 176.15 2wg3 n LYS 158 N -4.29 0.12 0.12 0.81 5.02 -0.80 -4.07 118.16 115.07 2wg3 n LYS 158 Ca -0.03 0.30 -0.01 0.00 -2.02 0.00 0.00 58.31 56.55 2wg3 n LYS 158 Cb 0.15 -1.71 0.22 0.00 -0.02 0.00 0.00 35.03 33.67 2wg3 n LYS 158 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2wg3 h TYR 159 N 0.00 0.17 -0.23 2.13 -1.99 -1.57 0.34 116.97 115.82 2wg3 h TYR 159 Ca 0.00 -0.05 -0.05 0.00 2.00 0.00 0.00 58.73 60.63 2wg3 h TYR 159 Cb 0.38 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 2wg3 h TYR 159 CO 0.00 0.59 -0.06 0.78 -0.00 0.00 0.00 178.16 179.48 2wg3 h GLY 160 N 1.37 0.47 1.23 3.88 0.00 -1.79 0.19 103.07 108.42 2wg3 h GLY 160 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 2wg3 h GLY 160 CO 0.07 0.36 -0.12 -2.00 0.00 0.00 0.00 176.54 174.84 2wg3 h LEU 161 N 0.17 0.90 -0.96 3.11 5.85 -1.73 -1.89 115.31 120.75 2wg3 h LEU 161 Ca 0.06 -0.29 0.12 0.00 0.84 0.00 0.00 57.88 58.60 2wg3 h LEU 161 Cb 0.51 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.22 2wg3 h LEU 161 CO 0.02 1.03 0.59 0.25 -0.34 0.00 0.00 178.44 179.99 2wg3 h LEU 162 N 0.80 0.86 0.28 2.25 5.85 -0.06 -1.84 115.31 123.45 2wg3 h LEU 162 Ca 0.13 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2wg3 h LEU 162 Cb 0.65 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2wg3 h LEU 162 CO 0.05 0.46 -0.13 0.00 -0.34 0.00 0.00 178.44 178.47 2wg3 h ALA 163 N 1.52 -0.37 -0.67 1.25 0.00 -0.19 -2.17 119.26 118.63 2wg3 h ALA 163 Ca 0.48 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.43 2wg3 h ALA 163 Cb 0.48 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.29 2wg3 h ALA 163 CO -0.27 -0.68 -0.04 -0.09 0.00 0.00 0.00 179.25 178.18 2wg3 h ARG 164 N -0.43 0.08 -0.90 0.00 9.65 -1.07 -1.41 114.38 120.29 2wg3 h ARG 164 Ca -0.04 -0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.87 2wg3 h ARG 164 Cb 0.33 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.84 2wg3 h ARG 164 CO 0.06 0.05 0.59 -0.07 2.80 0.00 0.00 179.97 183.40 2wg3 h LEU 165 N 0.08 0.98 -1.79 3.80 3.38 -0.83 0.36 115.31 121.30 2wg3 h LEU 165 Ca 0.35 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.33 2wg3 h LEU 165 Cb 0.58 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2wg3 h LEU 165 CO -0.61 0.68 0.18 0.00 0.09 0.00 0.00 178.44 178.77 2wg3 h ALA 166 N 1.37 1.89 -0.01 1.53 0.00 -0.66 0.13 119.26 123.52 2wg3 h ALA 166 Ca 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2wg3 h ALA 166 Cb -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2wg3 h ALA 166 CO -0.11 0.08 -0.04 0.28 0.00 0.00 0.00 179.25 179.45 2wg3 h VAL 167 N 0.29 1.51 -0.90 0.00 2.07 -0.60 -1.49 116.25 117.12 2wg3 h VAL 167 Ca 0.11 -1.56 0.16 0.00 0.82 0.00 0.00 66.70 66.22 2wg3 h VAL 167 Cb 0.07 2.53 -0.07 0.00 -1.52 0.00 0.00 31.29 32.30 2wg3 h VAL 167 CO -0.02 0.41 0.58 -0.33 0.02 0.00 0.00 177.57 178.23 2wg3 h GLU 168 N -0.59 0.64 0.00 1.57 4.39 -0.74 0.48 114.58 120.34 2wg3 h GLU 168 Ca -0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2wg3 h GLU 168 Cb 0.69 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2wg3 h GLU 168 CO 0.01 0.43 0.00 0.00 -1.16 0.00 0.00 179.01 178.28 2wg3 n ALA 169 N -2.43 1.83 -1.21 3.43 0.00 0.43 -4.91 120.51 117.66 2wg3 n ALA 169 Ca 0.18 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2wg3 n ALA 169 Cb 0.51 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 0.37 1.05 3.74 0.00 0.00 0.17 -4.79 105.19 105.73 2wg3 n GLY 170 Ca 0.04 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.18 3.34 0.20 1.61 0.08 -0.60 -4.94 117.98 115.49 2wg3 s PHE 171 Ca 0.00 1.34 0.29 0.00 0.12 0.00 0.00 56.93 58.68 2wg3 s PHE 171 Cb 0.00 -3.52 1.25 0.00 -0.57 0.00 0.00 43.02 40.18 2wg3 s PHE 171 CO 0.00 -1.52 1.95 -0.44 -0.10 0.00 0.00 175.22 175.11 2wg3 h ASP 172 N 5.20 0.00 -3.44 1.36 3.32 -1.74 -3.42 116.42 117.70 2wg3 h ASP 172 Ca -0.45 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.42 2wg3 h ASP 172 Cb 1.21 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.48 2wg3 h ASP 172 CO 0.75 0.12 -0.46 0.86 -1.72 0.00 0.00 179.24 178.79 2wg3 s TRP 173 N -3.78 -0.33 -0.08 4.55 -0.00 -1.09 -4.08 118.94 114.12 2wg3 s TRP 173 Ca -0.00 0.79 -0.00 0.00 -0.00 0.00 0.00 56.10 56.89 2wg3 s TRP 173 Cb 0.10 0.07 0.02 0.00 -0.00 0.00 0.00 33.47 33.67 2wg3 s TRP 173 CO 0.58 -0.22 -0.05 0.08 -0.00 0.00 0.00 176.95 177.34 2wg3 s VAL 174 N 1.03 0.74 -0.16 5.86 1.01 -0.31 -1.69 120.40 126.87 2wg3 s VAL 174 Ca -0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 2wg3 s VAL 174 Cb -0.08 -0.79 0.04 0.00 0.00 0.00 0.00 36.38 35.55 2wg3 s VAL 174 CO -0.07 0.30 -0.07 -0.47 0.00 0.00 0.00 175.10 174.80 2wg3 s TYR 175 N 1.52 1.76 -1.29 5.22 5.04 0.35 -0.65 117.35 129.31 2wg3 s TYR 175 Ca -0.00 -1.08 -0.19 0.00 -2.44 0.00 0.00 57.07 53.36 2wg3 s TYR 175 Cb -0.13 -1.35 0.05 0.00 0.35 0.00 0.00 41.96 40.88 2wg3 s TYR 175 CO -0.04 -0.61 1.76 -0.47 -1.34 0.00 0.00 175.55 174.85 2wg3 s TYR 176 N 1.61 2.68 -0.45 4.97 6.14 -0.55 0.12 117.35 131.87 2wg3 s TYR 176 Ca 0.02 -1.37 0.23 0.00 0.64 0.00 0.00 57.07 56.59 2wg3 s TYR 176 Cb -0.15 -4.67 0.32 0.00 0.42 0.00 0.00 41.96 37.89 2wg3 s TYR 176 CO -0.08 -1.73 1.46 1.05 0.64 0.00 0.00 175.55 176.89 2wg3 h GLU 177 N 7.83 0.00 -2.57 4.97 -0.00 -1.85 0.59 114.58 123.56 2wg3 h GLU 177 Ca 0.42 0.00 0.13 0.00 -0.00 0.00 0.00 59.36 59.91 2wg3 h GLU 177 Cb 0.88 0.00 -0.08 0.00 -0.00 0.00 0.00 28.75 29.55 2wg3 h GLU 177 CO 1.43 0.00 0.39 -1.54 -0.00 0.00 0.00 179.01 179.29 2wg3 s SER 178 N -5.55 -0.25 0.42 3.06 1.04 -1.15 -4.84 113.70 106.44 2wg3 s SER 178 Ca 0.06 -0.39 0.21 0.00 0.48 0.00 0.00 55.95 56.30 2wg3 s SER 178 Cb 0.08 0.56 0.93 0.00 0.10 0.00 0.00 66.02 67.68 2wg3 s SER 178 CO 0.70 -1.01 1.85 -0.09 0.98 0.00 0.00 173.24 175.67 2wg3 h ARG 179 N 2.00 0.00 -0.02 4.02 2.43 -1.99 -3.25 114.38 117.57 2wg3 h ARG 179 Ca -0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2wg3 h ARG 179 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2wg3 h ARG 179 CO 0.26 0.28 -0.26 0.09 -1.51 0.00 0.00 179.97 178.83 2wg3 n ASN 180 N -3.63 2.44 -3.52 -3.80 3.02 -1.26 -4.85 115.26 103.66 2wg3 n ASN 180 Ca -0.01 -1.72 -0.10 0.00 -0.03 0.00 0.00 54.58 52.72 2wg3 n ASN 180 Cb 0.41 0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 39.80 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 -2.26 -0.41 -0.06 3.10 -3.43 -1.23 -4.90 115.29 106.11 2wg3 s HIS 181 Ca 0.23 0.45 -0.03 0.00 -0.80 0.00 0.00 55.06 54.90 2wg3 s HIS 181 Cb 0.19 0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 31.80 2wg3 s HIS 181 CO 0.45 -0.52 0.10 0.08 -2.00 0.00 0.00 174.74 172.84 2wg3 s VAL 182 N -2.40 5.00 -0.17 -5.38 1.01 -0.80 -2.93 120.40 114.74 2wg3 s VAL 182 Ca 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 2wg3 s VAL 182 Cb -0.01 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 2wg3 s VAL 182 CO -0.04 0.49 -0.05 -2.28 0.00 0.00 0.00 175.10 173.21 2wg3 s HIS 183 N -1.10 2.96 0.08 5.22 2.46 0.12 -0.33 115.29 124.70 2wg3 s HIS 183 Ca 0.19 -0.54 0.06 0.00 0.47 0.00 0.00 55.06 55.25 2wg3 s HIS 183 Cb -0.12 -1.98 -0.03 0.00 -0.13 0.00 0.00 32.58 30.32 2wg3 s HIS 183 CO 0.09 -0.22 -0.17 0.14 -2.47 0.00 0.00 174.74 172.11 2wg3 s VAL 184 N 0.70 1.37 0.25 0.89 -7.23 -0.23 -0.49 120.40 115.66 2wg3 s VAL 184 Ca -0.03 -1.35 -0.10 0.00 -1.81 0.00 0.00 61.98 58.69 2wg3 s VAL 184 Cb -0.15 -1.27 -0.01 0.00 0.56 0.00 0.00 36.38 35.51 2wg3 s VAL 184 CO 0.02 -0.11 0.43 -0.94 -0.31 0.00 0.00 175.10 174.19 2wg3 s SER 185 N -1.69 0.04 0.05 4.85 1.04 -0.68 -0.62 113.70 116.69 2wg3 s SER 185 Ca 0.02 -1.06 -0.00 0.00 0.48 0.00 0.00 55.95 55.40 2wg3 s SER 185 Cb -0.10 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 2wg3 s SER 185 CO 0.03 -1.12 -0.04 0.68 0.98 0.00 0.00 173.24 173.77 2wg3 s VAL 186 N -3.93 0.31 0.85 5.02 -7.23 -0.44 -1.99 120.40 113.00 2wg3 s VAL 186 Ca 0.26 -1.59 -0.14 0.00 -1.81 0.00 0.00 61.98 58.70 2wg3 s VAL 186 Cb 0.00 -1.21 0.04 0.00 0.56 0.00 0.00 36.38 35.77 2wg3 s VAL 186 CO 0.11 -0.82 0.72 0.29 -0.31 0.00 0.00 175.10 175.08 2wg3 n LYS 187 N 0.50 -0.03 -2.27 4.82 5.02 -1.24 -4.85 118.16 120.11 2wg3 n LYS 187 Ca -0.16 0.05 -0.27 0.00 -2.02 0.00 0.00 58.31 55.91 2wg3 n LYS 187 Cb 0.59 -2.05 0.04 0.00 -0.02 0.00 0.00 35.03 33.60 2wg3 n LYS 187 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wg3 s ALA 188 N -2.22 3.21 -0.42 7.82 0.00 -1.26 -4.91 121.76 123.98 2wg3 s ALA 188 Ca 0.64 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.93 2wg3 s ALA 188 Cb -0.27 -2.65 0.43 0.00 0.00 0.00 0.00 23.12 20.63 2wg3 s ALA 188 CO 0.60 -1.00 1.21 -0.25 0.00 0.00 0.00 175.76 176.33 2wg3 n ASP 189 N -2.74 5.03 -5.00 0.00 8.00 -1.26 -5.02 116.55 115.55 2wg3 n ASP 189 Ca 0.06 -3.74 -0.18 0.00 0.71 0.00 0.00 54.79 51.64 2wg3 n ASP 189 Cb 0.58 -0.47 0.01 0.00 -0.02 0.00 0.00 41.12 41.22 2wg3 n ASP 189 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2wg3 s ASN 190 N -3.38 5.73 0.80 -2.24 -0.87 -1.26 -5.12 114.94 108.60 2wg3 s ASN 190 Ca 0.50 -0.33 -0.12 0.00 -1.57 0.00 0.00 52.86 51.34 2wg3 s ASN 190 Cb 0.41 -0.84 0.07 0.00 -0.02 0.00 0.00 41.25 40.87 2wg3 s ASN 190 CO -0.12 -0.69 1.14 -0.44 -2.57 0.00 0.00 177.10 174.42 2wg3 s SER 191 N -4.30 4.53 0.00 -1.22 0.01 -1.26 -5.24 113.70 106.22 2wg3 s SER 191 Ca 0.52 0.98 0.18 0.00 1.31 0.00 0.00 55.95 58.94 2wg3 s SER 191 Cb -0.10 -1.59 0.14 0.00 0.21 0.00 0.00 66.02 64.68 2wg3 s SER 191 CO 0.33 -1.91 1.07 0.18 0.41 0.00 0.00 173.24 173.32