#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wgi n GLY 20 N 0.00 -0.12 3.20 3.03 0.00 -1.05 -5.08 105.19 105.17 2wgi n GLY 20 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2wgi n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wgi s SER 21 N -5.57 -0.00 0.01 1.61 1.04 -1.02 -5.02 113.70 104.75 2wgi s SER 21 Ca 0.00 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.09 2wgi s SER 21 Cb 0.00 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 2wgi s SER 21 CO 0.00 -0.58 -0.03 -0.51 0.98 0.00 0.00 173.24 173.09 2wgi s ILE 22 N -2.66 0.20 0.00 -1.02 2.07 -1.26 0.09 121.20 118.62 2wgi s ILE 22 Ca -0.04 -0.40 0.01 0.00 -1.41 0.00 0.00 60.65 58.81 2wgi s ILE 22 Cb -0.01 -0.23 -0.00 0.00 0.13 0.00 0.00 42.46 42.35 2wgi s ILE 22 CO -0.04 -0.13 -0.04 0.42 -1.91 0.00 0.00 174.94 173.24 2wgi s THR 23 N -0.54 0.28 -0.16 4.00 -4.23 -0.85 -4.97 115.64 109.17 2wgi s THR 23 Ca -0.04 -0.22 -0.29 0.00 -1.18 0.00 0.00 61.69 59.96 2wgi s THR 23 Cb -0.04 -0.25 -0.00 0.00 1.34 0.00 0.00 72.50 73.54 2wgi s THR 23 CO -0.00 0.03 1.01 -0.70 -0.54 0.00 0.00 174.62 174.42 2wgi s GLU 24 N -0.21 4.35 -0.45 3.99 2.12 -1.26 -1.94 118.70 125.31 2wgi s GLU 24 Ca 0.00 1.35 0.03 0.00 0.36 0.00 0.00 54.97 56.72 2wgi s GLU 24 Cb -0.02 -3.58 0.12 0.00 0.26 0.00 0.00 34.13 30.90 2wgi s GLU 24 CO -0.00 -0.44 0.18 1.21 -0.54 0.00 0.00 175.26 175.67 2wgi s ASN 25 N 1.14 4.58 0.00 -1.70 3.04 0.94 -4.93 114.94 118.01 2wgi s ASN 25 Ca 0.46 -2.61 0.28 0.00 0.04 0.00 0.00 52.86 51.02 2wgi s ASN 25 Cb -0.17 -1.65 1.40 0.00 -1.54 0.00 0.00 41.25 39.29 2wgi s ASN 25 CO 0.13 -0.31 1.95 0.35 -3.04 0.00 0.00 177.10 176.18 2wgi n THR 26 N 3.66 0.09 0.65 -5.21 -2.24 -1.26 -3.32 114.28 106.64 2wgi n THR 26 Ca 0.04 0.02 0.09 0.00 -2.27 0.00 0.00 64.05 61.94 2wgi n THR 26 Cb 0.37 -0.56 0.40 0.00 -2.10 0.00 0.00 70.33 68.43 2wgi n THR 26 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wgi n SER 27 N -1.28 0.00 0.16 3.42 3.41 -1.26 -2.29 113.62 115.77 2wgi n SER 27 Ca 0.13 0.50 0.13 0.00 -0.26 0.00 0.00 58.87 59.36 2wgi n SER 27 Cb 0.22 -0.50 0.29 0.00 -0.26 0.00 0.00 64.21 63.97 2wgi n SER 27 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 2wgi h TRP 28 N 0.00 0.00 0.00 7.33 6.55 -1.95 -3.31 115.95 124.57 2wgi h TRP 28 Ca 0.00 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 2wgi h TRP 28 Cb 0.32 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.62 2wgi h TRP 28 CO 0.00 0.00 -0.02 -0.91 -1.05 0.00 0.00 178.44 176.46 2wgi h ASN 29 N 0.00 0.00 -0.31 -3.49 2.35 -1.71 -2.86 115.58 109.55 2wgi h ASN 29 Ca 0.00 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.82 2wgi h ASN 29 Cb 0.86 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.15 2wgi h ASN 29 CO 0.00 0.02 -0.24 0.11 -1.65 0.00 0.00 177.43 175.66 2wgi h LYS 30 N 0.00 -0.21 -0.31 0.81 6.56 -1.78 0.12 116.57 121.76 2wgi h LYS 30 Ca -0.00 0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.57 2wgi h LYS 30 Cb 0.11 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.80 2wgi h LYS 30 CO 0.00 -0.14 0.05 0.93 -2.06 0.00 0.00 179.45 178.23 2wgi h GLU 31 N -0.22 0.46 0.15 3.15 4.39 -1.80 -1.68 114.58 119.04 2wgi h GLU 31 Ca 0.16 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2wgi h GLU 31 Cb 0.47 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2wgi h GLU 31 CO -0.44 0.45 -0.07 0.74 -1.16 0.00 0.00 179.01 178.52 2wgi h PHE 32 N 0.45 -0.19 -0.99 4.33 0.04 -1.42 -3.17 116.94 115.99 2wgi h PHE 32 Ca 0.10 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.89 2wgi h PHE 32 Cb 0.22 0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.38 2wgi h PHE 32 CO 0.01 0.17 0.66 0.77 -0.60 0.00 0.00 178.31 179.31 2wgi h SER 33 N -0.59 1.13 -0.45 2.17 0.02 -0.65 -1.29 113.55 113.90 2wgi h SER 33 Ca -0.02 -0.03 0.08 0.00 -0.84 0.00 0.00 61.79 60.99 2wgi h SER 33 Cb 0.45 -0.28 -0.07 0.00 0.14 0.00 0.00 62.40 62.64 2wgi h SER 33 CO 0.03 0.81 0.01 0.00 -1.14 0.00 0.00 176.83 176.55 2wgi h ALA 34 N 1.37 0.43 -0.57 3.77 0.00 -1.36 -2.17 119.26 120.73 2wgi h ALA 34 Ca 0.37 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2wgi h ALA 34 Cb -0.12 0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wgi h ALA 34 CO -0.09 -0.38 0.00 0.39 0.00 0.00 0.00 179.25 179.17 2wgi n GLU 35 N -5.20 2.59 -3.79 0.00 -0.58 -1.14 -4.94 120.64 107.58 2wgi n GLU 35 Ca 0.04 -2.15 -0.25 0.00 -0.42 0.00 0.00 57.16 54.37 2wgi n GLU 35 Cb 0.23 -1.54 0.03 0.00 -0.57 0.00 0.00 31.44 29.59 2wgi n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wgi n ALA 36 N 1.11 -1.67 -2.83 0.62 0.00 -0.82 -4.98 120.51 111.95 2wgi n ALA 36 Ca 0.20 0.01 -0.35 0.00 0.00 0.00 0.00 53.44 53.31 2wgi n ALA 36 Cb 0.56 -3.20 -0.10 0.00 0.00 0.00 0.00 19.45 16.72 2wgi n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wgi s VAL 37 N -3.50 4.69 -0.59 0.00 1.01 -0.52 -5.04 120.40 116.45 2wgi s VAL 37 Ca 0.31 -0.08 -0.13 0.00 0.00 0.00 0.00 61.98 62.09 2wgi s VAL 37 Cb -0.16 -3.09 0.15 0.00 0.00 0.00 0.00 36.38 33.28 2wgi s VAL 37 CO 0.82 0.49 0.52 0.21 0.00 0.00 0.00 175.10 177.13 2wgi s ASN 38 N 0.18 6.14 0.00 3.32 2.47 -1.26 -4.64 114.94 121.16 2wgi s ASN 38 Ca 0.04 -2.10 0.00 0.00 0.42 0.00 0.00 52.86 51.22 2wgi s ASN 38 Cb -0.12 -2.14 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 2wgi s ASN 38 CO 0.01 -0.72 0.00 0.61 -3.72 0.00 0.00 177.10 173.28 2wgi n GLY 39 N 4.76 2.36 3.11 1.21 0.00 -1.26 -0.71 105.19 114.66 2wgi n GLY 39 Ca -0.05 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 2wgi n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wgi s VAL 40 N -2.93 0.07 -0.05 1.61 0.11 0.50 -4.89 120.40 114.83 2wgi s VAL 40 Ca 0.00 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 58.47 2wgi s VAL 40 Cb 0.00 -0.43 0.01 0.00 -1.53 0.00 0.00 36.38 34.43 2wgi s VAL 40 CO 0.00 -0.33 -0.09 0.12 -3.33 0.00 0.00 175.10 171.47 2wgi s PHE 41 N -1.23 1.05 -0.15 1.54 5.36 -1.26 -2.06 117.98 121.23 2wgi s PHE 41 Ca -0.13 -0.33 0.01 0.00 -0.96 0.00 0.00 56.93 55.52 2wgi s PHE 41 Cb -0.07 -0.81 0.02 0.00 -0.34 0.00 0.00 43.02 41.83 2wgi s PHE 41 CO 0.02 -0.19 -0.18 0.08 -1.46 0.00 0.00 175.22 173.49 2wgi s VAL 42 N 0.59 1.83 -0.12 3.12 1.01 -0.11 -3.40 120.40 123.33 2wgi s VAL 42 Ca -0.10 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2wgi s VAL 42 Cb -0.13 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.59 2wgi s VAL 42 CO 0.02 0.50 -0.21 -0.22 0.00 0.00 0.00 175.10 175.19 2wgi s LEU 43 N 1.24 2.03 -0.00 3.92 2.96 -0.05 -1.73 118.68 127.04 2wgi s LEU 43 Ca 0.02 -0.55 0.07 0.00 -0.22 0.00 0.00 54.13 53.44 2wgi s LEU 43 Cb -0.14 -1.36 -0.02 0.00 0.50 0.00 0.00 46.19 45.18 2wgi s LEU 43 CO -0.09 0.09 -0.21 0.00 -1.32 0.00 0.00 176.35 174.82 2wgi s LYS 45 N -0.64 3.20 0.08 0.00 2.20 -0.16 -1.22 119.74 123.21 2wgi s LYS 45 Ca 0.08 -0.81 -0.22 0.00 -0.36 0.00 0.00 55.97 54.66 2wgi s LYS 45 Cb -0.08 -3.58 -0.13 0.00 -1.51 0.00 0.00 37.83 32.53 2wgi s LYS 45 CO -0.00 -0.48 1.67 1.03 -0.36 0.00 0.00 175.35 177.21 2wgi h SER 46 N 8.36 0.11 -0.77 1.43 0.87 -1.53 -2.06 113.55 119.95 2wgi h SER 46 Ca -0.31 -0.09 0.15 0.00 -1.23 0.00 0.00 61.79 60.31 2wgi h SER 46 Cb 1.13 -0.03 -0.10 0.00 -0.44 0.00 0.00 62.40 62.97 2wgi h SER 46 CO 0.62 0.17 0.29 0.77 -0.53 0.00 0.00 176.83 178.15 2wgi h SER 47 N 0.04 0.24 -0.56 6.23 4.64 -1.94 -1.96 113.55 120.24 2wgi h SER 47 Ca 0.03 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2wgi h SER 47 Cb 0.09 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2wgi h SER 47 CO -0.00 0.07 0.00 -1.54 -0.87 0.00 0.00 176.83 174.48 2wgi n SER 48 N -5.03 3.52 -3.72 4.97 3.41 -1.14 -4.97 113.62 110.65 2wgi n SER 48 Ca 0.15 -1.98 -0.28 0.00 -0.26 0.00 0.00 58.87 56.49 2wgi n SER 48 Cb 0.45 -0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 64.02 2wgi n SER 48 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wgi n LYS 49 N 1.46 -3.24 -4.19 4.33 5.02 -0.74 -4.88 118.16 115.92 2wgi n LYS 49 Ca 0.21 0.40 -0.17 0.00 -2.02 0.00 0.00 58.31 56.74 2wgi n LYS 49 Cb 0.58 -5.11 -0.13 0.00 -0.02 0.00 0.00 35.03 30.35 2wgi n LYS 49 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2wgi s SER 50 N -2.94 1.22 0.25 4.39 1.04 -1.14 -2.44 113.70 114.08 2wgi s SER 50 Ca 0.54 -0.47 0.11 0.00 0.48 0.00 0.00 55.95 56.62 2wgi s SER 50 Cb -0.29 -0.04 -0.05 0.00 0.10 0.00 0.00 66.02 65.74 2wgi s SER 50 CO 0.67 -0.07 -0.21 0.00 0.98 0.00 0.00 173.24 174.61 2wgi s ALA 52 N -2.32 0.97 0.05 0.00 0.00 1.00 -2.02 121.76 119.44 2wgi s ALA 52 Ca 0.27 -0.58 -0.07 0.00 0.00 0.00 0.00 51.96 51.58 2wgi s ALA 52 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 2wgi s ALA 52 CO 0.13 0.21 0.13 -0.08 0.00 0.00 0.00 175.76 176.15 2wgi s THR 53 N -0.48 0.14 -0.39 0.00 -1.32 -0.82 -0.87 115.64 111.90 2wgi s THR 53 Ca 0.03 -1.14 0.23 0.00 -1.21 0.00 0.00 61.69 59.60 2wgi s THR 53 Cb -0.06 -1.06 0.09 0.00 -1.51 0.00 0.00 72.50 69.97 2wgi s THR 53 CO 0.00 -0.63 1.25 -0.55 -2.21 0.00 0.00 174.62 172.49 2wgi h ASN 54 N 3.36 0.00 -2.23 8.08 -1.07 -1.72 0.27 115.58 122.26 2wgi h ASN 54 Ca -0.33 -0.05 -0.37 0.00 0.07 0.00 0.00 56.30 55.62 2wgi h ASN 54 Cb 1.19 0.00 -0.34 0.00 -2.07 0.00 0.00 38.32 37.09 2wgi h ASN 54 CO 0.53 0.02 -0.67 -0.62 0.07 0.00 0.00 177.43 176.76 2wgi s ASP 55 N -5.26 1.94 0.36 6.14 3.68 -1.26 -4.68 116.67 117.59 2wgi s ASP 55 Ca 0.03 -0.99 0.11 0.00 2.13 0.00 0.00 52.55 53.83 2wgi s ASP 55 Cb 0.10 0.36 0.90 0.00 -1.45 0.00 0.00 42.92 42.82 2wgi s ASP 55 CO 0.74 -0.38 1.81 -0.07 0.13 0.00 0.00 175.17 177.40 2wgi h LEU 56 N 8.09 0.62 0.03 -1.34 3.38 -1.96 -2.09 115.31 122.04 2wgi h LEU 56 Ca -0.11 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2wgi h LEU 56 Cb 1.06 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2wgi h LEU 56 CO 0.33 0.23 -0.01 0.00 0.09 0.00 0.00 178.44 179.08 2wgi h ALA 57 N 1.62 -0.04 0.00 1.53 0.00 -2.01 -3.18 119.26 117.19 2wgi h ALA 57 Ca 0.53 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2wgi h ALA 57 Cb 1.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2wgi h ALA 57 CO -0.29 -0.25 -0.25 -0.09 0.00 0.00 0.00 179.25 178.37 2wgi h ARG 58 N -0.58 0.00 0.00 0.00 2.43 -1.92 -2.14 114.38 112.17 2wgi h ARG 58 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wgi h ARG 58 Cb 0.53 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2wgi h ARG 58 CO 0.01 0.25 -0.00 0.00 -1.51 0.00 0.00 179.97 178.71 2wgi h ALA 59 N 1.75 1.76 0.00 2.80 0.00 -1.36 -2.50 119.26 121.71 2wgi h ALA 59 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wgi h ALA 59 Cb 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2wgi h ALA 59 CO 0.03 0.00 -1.55 0.43 0.00 0.00 0.00 179.25 178.16 2wgi n SER 60 N -4.20 0.38 -4.75 0.00 7.64 -0.83 -2.36 113.62 109.50 2wgi n SER 60 Ca -0.03 0.15 -0.41 0.00 1.01 0.00 0.00 58.87 59.58 2wgi n SER 60 Cb 0.09 1.30 -0.02 0.00 -1.01 0.00 0.00 64.21 64.57 2wgi n SER 60 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2wgi s LYS 61 N -3.45 4.30 -0.07 1.43 1.02 -0.94 -4.75 119.74 117.27 2wgi s LYS 61 Ca -0.05 2.25 -0.18 0.00 0.02 0.00 0.00 55.97 58.02 2wgi s LYS 61 Cb 0.12 -3.11 -0.05 0.00 -0.52 0.00 0.00 37.83 34.27 2wgi s LYS 61 CO 0.86 -0.36 0.49 -1.21 -0.92 0.00 0.00 175.35 174.21 2wgi s GLU 62 N -0.62 4.27 0.37 1.68 2.02 -1.26 -4.13 118.70 121.03 2wgi s GLU 62 Ca 0.57 0.51 0.04 0.00 0.02 0.00 0.00 54.97 56.11 2wgi s GLU 62 Cb -0.41 -3.38 -0.06 0.00 0.10 0.00 0.00 34.13 30.38 2wgi s GLU 62 CO 0.45 0.29 0.05 0.71 0.02 0.00 0.00 175.26 176.78 2wgi s TYR 63 N 0.16 2.06 0.24 1.61 2.02 -0.15 -4.73 117.35 118.57 2wgi s TYR 63 Ca 0.27 -0.93 -0.31 0.00 -0.37 0.00 0.00 57.07 55.73 2wgi s TYR 63 Cb -0.16 -1.40 -0.11 0.00 -0.40 0.00 0.00 41.96 39.88 2wgi s TYR 63 CO 0.12 0.09 1.63 -0.51 -1.57 0.00 0.00 175.55 175.31 2wgi s LEU 64 N -3.58 4.36 0.36 -1.29 1.43 -1.26 -0.26 118.68 118.44 2wgi s LEU 64 Ca 0.33 2.84 0.13 0.00 -1.03 0.00 0.00 54.13 56.40 2wgi s LEU 64 Cb 0.08 -3.61 0.69 0.00 0.03 0.00 0.00 46.19 43.38 2wgi s LEU 64 CO 0.15 -0.90 1.80 1.55 0.23 0.00 0.00 176.35 179.18 2wgi h PRO 65 N 5.93 0.00 0.00 1.29 0.13 -1.74 -3.46 132.00 134.15 2wgi h PRO 65 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2wgi h PRO 65 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2wgi h PRO 65 CO 0.87 0.40 0.00 0.00 -0.23 0.00 0.00 178.00 179.04 2wgi n ALA 66 N -2.46 0.00 1.59 -0.56 0.00 -0.74 -2.59 120.51 115.75 2wgi n ALA 66 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.54 2wgi n ALA 66 Cb 0.43 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.57 2wgi n ALA 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wgi n SER 67 N 2.50 0.00 0.18 0.00 7.64 -1.26 -2.08 113.62 120.60 2wgi n SER 67 Ca 0.00 -0.86 0.13 0.00 1.01 0.00 0.00 58.87 59.15 2wgi n SER 67 Cb 0.00 0.00 0.33 0.00 -1.01 0.00 0.00 64.21 63.53 2wgi n SER 67 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2wgi h THR 68 N 0.00 0.00 0.00 0.44 1.35 -1.59 -3.15 112.91 109.96 2wgi h THR 68 Ca 0.00 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 2wgi h THR 68 Cb 0.00 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 2wgi h THR 68 CO 0.00 0.00 0.00 0.15 -0.25 0.00 0.00 175.52 175.42 2wgi h PHE 69 N 0.00 0.00 -0.30 4.73 3.57 -1.58 -2.52 116.94 120.84 2wgi h PHE 69 Ca 0.00 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 2wgi h PHE 69 Cb 0.81 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 2wgi h PHE 69 CO 0.00 0.00 0.28 0.87 -2.23 0.00 0.00 178.31 177.23 2wgi h LYS 70 N 0.00 0.00 0.52 1.11 1.57 -1.76 -0.28 116.57 117.73 2wgi h LYS 70 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2wgi h LYS 70 Cb 0.31 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.63 2wgi h LYS 70 CO 0.00 0.00 -0.25 0.82 -0.57 0.00 0.00 179.45 179.45 2wgi h ILE 71 N 0.00 0.00 -0.78 1.86 2.04 -1.70 0.83 117.51 119.76 2wgi h ILE 71 Ca 0.14 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 2wgi h ILE 71 Cb 0.69 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 2wgi h ILE 71 CO -0.00 0.00 0.39 1.55 0.00 0.00 0.00 178.15 180.09 2wgi h PRO 72 N -0.83 1.11 -1.00 2.37 0.13 -1.72 -2.66 132.00 129.39 2wgi h PRO 72 Ca -0.07 -0.15 0.09 0.00 -0.87 0.00 0.00 66.00 65.00 2wgi h PRO 72 Cb 0.53 -0.21 -0.08 0.00 0.13 0.00 0.00 31.00 31.38 2wgi h PRO 72 CO 0.12 0.84 0.64 -0.97 -0.23 0.00 0.00 178.00 178.40 2wgi h ASN 73 N 1.10 0.98 -0.43 1.44 -0.00 -1.08 -1.16 115.58 116.43 2wgi h ASN 73 Ca 0.27 0.03 -0.11 0.00 -0.00 0.00 0.00 56.30 56.49 2wgi h ASN 73 Cb 0.09 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 38.22 2wgi h ASN 73 CO -0.04 0.58 -0.17 0.00 -0.00 0.00 0.00 177.43 177.80 2wgi h ALA 74 N 1.50 0.60 -0.05 1.57 0.00 -0.57 -0.89 119.26 121.42 2wgi h ALA 74 Ca 0.46 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wgi h ALA 74 Cb 0.33 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2wgi h ALA 74 CO -0.22 0.54 0.02 0.82 0.00 0.00 0.00 179.25 180.42 2wgi h ILE 75 N 0.70 1.11 -0.74 0.00 2.04 -1.03 -2.59 117.51 117.01 2wgi h ILE 75 Ca 0.10 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 2wgi h ILE 75 Cb 0.73 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 2wgi h ILE 75 CO 0.06 0.09 0.25 0.40 0.00 0.00 0.00 178.15 178.95 2wgi h ILE 76 N -0.05 1.26 -0.98 -0.67 2.04 -1.30 -1.43 117.51 116.38 2wgi h ILE 76 Ca 0.02 -0.86 0.19 0.00 1.00 0.00 0.00 64.86 65.21 2wgi h ILE 76 Cb 0.12 0.42 -0.09 0.00 -0.74 0.00 0.00 36.82 36.53 2wgi h ILE 76 CO -0.00 0.34 0.61 1.23 0.00 0.00 0.00 178.15 180.33 2wgi h GLY 77 N 1.11 1.49 0.75 5.37 0.00 -0.90 -2.40 103.07 108.50 2wgi h GLY 77 Ca 0.24 -0.31 -0.26 0.00 0.00 0.00 0.00 47.33 47.01 2wgi h GLY 77 CO -0.01 -0.04 -1.21 1.41 0.00 0.00 0.00 176.54 176.69 2wgi h LEU 78 N 0.66 0.51 -1.62 3.11 3.38 -1.16 0.28 115.31 120.47 2wgi h LEU 78 Ca 0.55 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2wgi h LEU 78 Cb 0.99 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2wgi h LEU 78 CO -0.31 1.56 0.00 -0.08 0.09 0.00 0.00 178.44 179.69 2wgi h GLU 79 N -0.23 0.00 -0.13 1.13 4.57 -0.77 -2.23 114.58 116.92 2wgi h GLU 79 Ca -0.23 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2wgi h GLU 79 Cb 1.81 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.40 2wgi h GLU 79 CO 0.14 0.00 0.00 0.25 -1.18 0.00 0.00 179.01 178.22 2wgi n THR 80 N -2.55 0.44 0.00 0.32 -2.24 -1.05 -5.00 114.28 104.20 2wgi n THR 80 Ca -0.01 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 2wgi n THR 80 Cb 0.12 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 2wgi n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wgi n GLY 81 N 0.42 2.63 0.23 3.38 0.00 -0.84 -4.91 105.19 106.10 2wgi n GLY 81 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 2wgi n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wgi h VAL 82 N 0.00 0.48 -3.46 1.61 2.07 -1.76 -3.29 116.25 111.89 2wgi h VAL 82 Ca 0.00 0.00 -0.61 0.00 0.82 0.00 0.00 66.70 66.91 2wgi h VAL 82 Cb 0.00 0.48 -0.11 0.00 -1.52 0.00 0.00 31.29 30.15 2wgi h VAL 82 CO 0.00 0.00 0.32 -0.63 0.02 0.00 0.00 177.57 177.28 2wgi s ILE 83 N -6.13 4.84 0.04 4.57 1.01 0.96 -4.99 121.20 121.51 2wgi s ILE 83 Ca -0.14 1.09 -0.27 0.00 0.00 0.00 0.00 60.65 61.32 2wgi s ILE 83 Cb 0.12 -4.10 -0.17 0.00 0.01 0.00 0.00 42.46 38.32 2wgi s ILE 83 CO 0.69 -0.21 1.47 0.50 0.00 0.00 0.00 174.94 177.38 2wgi h LYS 84 N 8.13 -0.43 0.00 2.79 1.63 -1.87 -3.40 116.57 123.42 2wgi h LYS 84 Ca -0.25 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.58 2wgi h LYS 84 Cb 1.10 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2wgi h LYS 84 CO 0.86 -0.18 0.00 0.27 -3.45 0.00 0.00 179.45 176.94 2wgi n ASN 85 N -5.21 0.00 0.09 4.20 0.23 -1.26 -5.00 115.26 108.31 2wgi n ASN 85 Ca -0.10 -0.55 0.13 0.00 -0.53 0.00 0.00 54.58 53.53 2wgi n ASN 85 Cb 0.24 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.40 2wgi n ASN 85 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2wgi n GLU 86 N 0.00 0.19 -0.52 -3.83 0.28 -1.26 -3.50 120.64 112.01 2wgi n GLU 86 Ca 0.00 0.21 0.10 0.00 -0.16 0.00 0.00 57.16 57.31 2wgi n GLU 86 Cb 0.00 -1.75 0.34 0.00 1.43 0.00 0.00 31.44 31.46 2wgi n GLU 86 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2wgi n HIS 87 N -2.08 1.27 -2.56 -1.84 8.25 -1.26 -4.57 115.22 112.43 2wgi n HIS 87 Ca 0.05 -0.58 -0.40 0.00 -0.26 0.00 0.00 57.72 56.53 2wgi n HIS 87 Cb 0.37 -0.16 -0.05 0.00 1.12 0.00 0.00 29.99 31.27 2wgi n HIS 87 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2wgi s GLN 88 N -1.58 4.68 -0.18 -0.41 0.74 -1.23 -5.03 119.66 116.66 2wgi s GLN 88 Ca 0.49 1.70 -0.06 0.00 0.05 0.00 0.00 55.36 57.54 2wgi s GLN 88 Cb 0.30 -3.24 -0.03 0.00 1.10 0.00 0.00 33.01 31.14 2wgi s GLN 88 CO 0.26 0.25 0.01 0.08 -0.55 0.00 0.00 175.29 175.35 2wgi s VAL 89 N -0.90 4.28 -0.55 1.34 1.01 -1.26 -3.97 120.40 120.35 2wgi s VAL 89 Ca 0.45 -0.21 -0.19 0.00 0.00 0.00 0.00 61.98 62.03 2wgi s VAL 89 Cb -0.30 -2.91 0.08 0.00 0.00 0.00 0.00 36.38 33.25 2wgi s VAL 89 CO 0.37 0.46 0.66 -0.36 0.00 0.00 0.00 175.10 176.23 2wgi s PHE 90 N 0.54 3.03 0.07 5.22 0.08 0.97 -4.92 117.98 122.96 2wgi s PHE 90 Ca 0.00 -0.78 -0.31 0.00 0.12 0.00 0.00 56.93 55.97 2wgi s PHE 90 Cb -0.14 -3.78 -0.06 0.00 -0.57 0.00 0.00 43.02 38.47 2wgi s PHE 90 CO 0.02 -1.17 1.22 0.15 -0.10 0.00 0.00 175.22 175.34 2wgi s LYS 91 N 2.63 4.42 0.28 0.44 -0.14 -1.26 -2.10 119.74 124.00 2wgi s LYS 91 Ca 0.13 1.80 -0.29 0.00 -1.36 0.00 0.00 55.97 56.25 2wgi s LYS 91 Cb -0.22 -3.34 -0.09 0.00 -1.68 0.00 0.00 37.83 32.50 2wgi s LYS 91 CO 0.09 -0.27 0.97 -0.46 -0.76 0.00 0.00 175.35 174.91 2wgi s TRP 92 N 1.06 3.82 -2.47 3.18 -0.00 -1.26 -4.95 118.94 118.31 2wgi s TRP 92 Ca 0.59 1.84 0.27 0.00 -0.00 0.00 0.00 56.10 58.80 2wgi s TRP 92 Cb -0.30 -3.01 0.99 0.00 -0.00 0.00 0.00 33.47 31.15 2wgi s TRP 92 CO 0.29 0.21 1.71 -0.40 -0.00 0.00 0.00 176.95 178.76 2wgi n ASP 93 N 1.12 1.55 0.00 5.86 5.75 -1.26 -4.92 116.55 124.65 2wgi n ASP 93 Ca -0.00 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 2wgi n ASP 93 Cb 0.48 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 2wgi n ASP 93 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wgi n GLY 94 N 1.17 1.33 3.84 6.12 0.00 -1.26 -5.03 105.19 111.36 2wgi n GLY 94 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2wgi n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wgi s LYS 95 N -0.23 3.90 0.31 1.61 1.02 -1.26 -5.04 119.74 120.04 2wgi s LYS 95 Ca 0.00 0.38 -0.28 0.00 0.02 0.00 0.00 55.97 56.09 2wgi s LYS 95 Cb 0.00 -3.17 -0.13 0.00 -0.52 0.00 0.00 37.83 34.00 2wgi s LYS 95 CO 0.00 0.66 1.11 -2.30 -0.92 0.00 0.00 175.35 173.90 2wgi n PRO 96 N 1.63 1.61 -4.58 -1.68 -0.02 -1.26 -5.02 135.00 125.69 2wgi n PRO 96 Ca -0.13 0.57 -0.27 0.00 -2.02 0.00 0.00 63.50 61.65 2wgi n PRO 96 Cb 0.52 -2.01 -0.11 0.00 -0.02 0.00 0.00 33.50 31.89 2wgi n PRO 96 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2wgi s ARG 97 N -1.65 1.92 0.53 -0.52 0.52 -1.26 -5.05 118.95 113.45 2wgi s ARG 97 Ca 0.58 -2.05 0.19 0.00 -0.52 0.00 0.00 55.73 53.93 2wgi s ARG 97 Cb -0.66 -1.67 1.39 0.00 0.52 0.00 0.00 34.95 34.53 2wgi s ARG 97 CO 0.61 0.01 2.17 0.00 0.02 0.00 0.00 175.30 178.11 2wgi h ALA 98 N 1.84 1.89 -4.09 2.13 0.00 -1.98 -3.41 119.26 115.64 2wgi h ALA 98 Ca -0.43 -0.00 -0.52 0.00 0.00 0.00 0.00 54.91 53.96 2wgi h ALA 98 Cb 1.24 -0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.73 2wgi h ALA 98 CO 0.77 0.00 -0.82 -1.64 0.00 0.00 0.00 179.25 177.57 2wgi s MET 99 N -4.96 1.39 0.25 0.00 -1.94 -1.26 -5.04 119.30 107.74 2wgi s MET 99 Ca -0.05 -0.54 -0.03 0.00 -1.71 0.00 0.00 55.69 53.36 2wgi s MET 99 Cb 0.17 -1.29 0.44 0.00 2.01 0.00 0.00 34.83 36.16 2wgi s MET 99 CO 0.64 0.28 1.79 -0.22 -0.01 0.00 0.00 175.02 177.50 2wgi h LYS 100 N 6.00 0.72 -1.06 2.03 3.64 -2.02 -1.56 116.57 124.31 2wgi h LYS 100 Ca -0.34 -0.04 0.30 0.00 -1.27 0.00 0.00 60.65 59.30 2wgi h LYS 100 Cb 1.16 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.77 2wgi h LYS 100 CO 0.48 0.47 0.75 1.96 -2.27 0.00 0.00 179.45 180.85 2wgi h GLN 101 N 0.74 0.06 -0.00 1.90 4.20 -1.96 -1.83 115.11 118.21 2wgi h GLN 101 Ca 0.42 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 2wgi h GLN 101 Cb 0.46 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2wgi h GLN 101 CO -0.28 0.04 -0.14 0.91 -0.67 0.00 0.00 178.83 178.68 2wgi n TRP 102 N -4.28 0.00 -1.73 2.96 8.01 -0.59 -4.63 117.44 117.19 2wgi n TRP 102 Ca 0.23 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 56.03 2wgi n TRP 102 Cb 1.09 -0.17 -0.02 0.00 -2.01 0.00 0.00 31.31 30.21 2wgi n TRP 102 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 2wgi n GLU 103 N -0.87 4.23 -3.78 -0.99 1.02 -0.69 -4.85 120.64 114.71 2wgi n GLU 103 Ca 0.14 -2.97 -0.06 0.00 -0.02 0.00 0.00 57.16 54.25 2wgi n GLU 103 Cb 0.29 -2.68 -0.02 0.00 -0.02 0.00 0.00 31.44 29.01 2wgi n GLU 103 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2wgi s ARG 104 N 0.07 1.53 0.14 3.49 1.70 -1.26 -5.03 118.95 119.58 2wgi s ARG 104 Ca 0.60 -0.82 -0.30 0.00 -0.47 0.00 0.00 55.73 54.74 2wgi s ARG 104 Cb 0.19 0.54 -0.07 0.00 -0.57 0.00 0.00 34.95 35.03 2wgi s ARG 104 CO -0.08 -0.70 1.21 -0.51 -1.08 0.00 0.00 175.30 174.14 2wgi s ASP 105 N -2.90 7.07 0.08 -2.89 1.01 -1.26 -4.19 116.67 113.59 2wgi s ASP 105 Ca 0.10 2.16 0.08 0.00 0.71 0.00 0.00 52.55 55.60 2wgi s ASP 105 Cb -0.04 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 2wgi s ASP 105 CO 0.03 -0.42 -0.22 -0.76 0.21 0.00 0.00 175.17 174.02 2wgi s LEU 106 N 0.29 2.23 0.00 1.23 1.43 -0.89 -4.93 118.68 118.04 2wgi s LEU 106 Ca 0.55 -0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 52.94 2wgi s LEU 106 Cb -0.32 -1.00 0.17 0.00 0.03 0.00 0.00 46.19 45.07 2wgi s LEU 106 CO 0.34 0.13 1.02 0.35 0.23 0.00 0.00 176.35 178.42 2wgi n THR 107 N 1.45 0.00 0.14 5.49 -2.24 -1.26 -0.02 114.28 117.84 2wgi n THR 107 Ca -0.18 -0.97 -0.14 0.00 -2.27 0.00 0.00 64.05 60.49 2wgi n THR 107 Cb 0.53 -1.40 -0.08 0.00 -2.10 0.00 0.00 70.33 67.28 2wgi n THR 107 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2wgi h LEU 108 N 0.00 -0.26 -0.77 3.22 5.85 -1.81 0.53 115.31 122.07 2wgi h LEU 108 Ca -0.33 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.37 2wgi h LEU 108 Cb 0.99 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 2wgi h LEU 108 CO 0.27 -0.10 0.48 -0.09 -0.34 0.00 0.00 178.44 178.65 2wgi h ARG 109 N -0.40 0.89 0.18 1.25 2.43 -1.91 -1.98 114.38 114.85 2wgi h ARG 109 Ca -0.03 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2wgi h ARG 109 Cb 0.30 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 2wgi h ARG 109 CO 0.05 0.59 -0.39 0.78 -1.51 0.00 0.00 179.97 179.48 2wgi h GLY 110 N 0.91 -0.82 0.95 2.80 0.00 -1.87 0.15 103.07 105.20 2wgi h GLY 110 Ca 0.32 0.47 0.08 0.00 0.00 0.00 0.00 47.33 48.19 2wgi h GLY 110 CO -0.13 -0.28 0.50 0.00 0.00 0.00 0.00 176.54 176.63 2wgi h ALA 111 N -0.18 1.73 -0.12 3.60 0.00 -0.72 -2.04 119.26 121.52 2wgi h ALA 111 Ca 0.01 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2wgi h ALA 111 Cb 0.67 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.29 2wgi h ALA 111 CO -0.19 0.14 -0.59 0.82 0.00 0.00 0.00 179.25 179.43 2wgi h ILE 112 N 0.75 1.34 -0.37 0.00 2.04 -1.09 0.60 117.51 120.77 2wgi h ILE 112 Ca 0.34 -1.87 -0.08 0.00 1.00 0.00 0.00 64.86 64.25 2wgi h ILE 112 Cb 0.34 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 2wgi h ILE 112 CO -0.12 0.57 -0.07 1.56 0.00 0.00 0.00 178.15 180.10 2wgi h GLN 113 N 0.26 0.71 -0.01 2.37 1.08 -0.15 -2.44 115.11 116.93 2wgi h GLN 113 Ca -0.04 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 56.90 2wgi h GLN 113 Cb 1.23 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 2wgi h GLN 113 CO 0.12 0.85 -0.09 1.33 -0.95 0.00 0.00 178.83 180.08 2wgi n VAL 114 N -4.40 0.00 -3.29 -0.54 0.24 -0.82 -4.97 118.33 104.55 2wgi n VAL 114 Ca -0.02 -0.14 -0.15 0.00 -2.04 0.00 0.00 64.34 61.99 2wgi n VAL 114 Cb 0.33 0.21 0.05 0.00 -1.47 0.00 0.00 33.84 32.96 2wgi n VAL 114 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2wgi n SER 115 N -0.46 -6.63 -4.51 -1.34 2.88 -0.77 -4.88 113.62 97.91 2wgi n SER 115 Ca 0.17 -0.64 -0.42 0.00 -1.33 0.00 0.00 58.87 56.64 2wgi n SER 115 Cb 0.31 -4.87 -0.03 0.00 -0.75 0.00 0.00 64.21 58.87 2wgi n SER 115 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wgi s ALA 116 N -3.32 2.95 0.13 -1.46 0.00 0.13 -4.92 121.76 115.27 2wgi s ALA 116 Ca 0.37 -2.19 -0.28 0.00 0.00 0.00 0.00 51.96 49.85 2wgi s ALA 116 Cb -0.06 -4.27 -0.06 0.00 0.00 0.00 0.00 23.12 18.73 2wgi s ALA 116 CO 0.76 -3.28 1.60 0.28 0.00 0.00 0.00 175.76 175.12 2wgi h VAL 117 N 6.30 0.23 -0.61 0.00 2.07 -1.89 -2.43 116.25 119.92 2wgi h VAL 117 Ca 0.04 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.70 2wgi h VAL 117 Cb 1.03 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2wgi h VAL 117 CO 1.29 0.00 0.42 -0.65 0.02 0.00 0.00 177.57 178.64 2wgi h PRO 118 N -0.51 0.21 -0.27 1.57 0.11 -1.99 -1.02 132.00 130.10 2wgi h PRO 118 Ca 0.06 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 2wgi h PRO 118 Cb 0.60 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 2wgi h PRO 118 CO -0.30 0.14 0.07 0.28 -0.21 0.00 0.00 178.00 177.98 2wgi h VAL 119 N 0.22 1.21 0.00 3.15 2.07 -1.86 -2.21 116.25 118.83 2wgi h VAL 119 Ca 0.29 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 2wgi h VAL 119 Cb 0.84 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2wgi h VAL 119 CO -0.06 0.22 -0.30 -0.26 0.02 0.00 0.00 177.57 177.20 2wgi h PHE 120 N 0.28 0.00 -0.39 1.57 0.04 -1.26 -2.06 116.94 115.12 2wgi h PHE 120 Ca 0.09 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.71 2wgi h PHE 120 Cb 0.27 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2wgi h PHE 120 CO 0.01 0.30 -0.32 1.96 -0.60 0.00 0.00 178.31 179.65 2wgi h GLN 121 N 0.00 0.88 -0.36 1.51 4.20 -1.13 0.20 115.11 120.42 2wgi h GLN 121 Ca -0.00 -0.43 -0.06 0.00 0.06 0.00 0.00 58.65 58.22 2wgi h GLN 121 Cb 1.00 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 2wgi h GLN 121 CO 0.04 1.07 -0.02 0.37 -0.67 0.00 0.00 178.83 179.62 2wgi h GLN 122 N 0.74 0.65 -0.32 1.46 5.75 -1.27 0.30 115.11 122.41 2wgi h GLN 122 Ca 0.08 -0.22 0.06 0.00 -0.15 0.00 0.00 58.65 58.42 2wgi h GLN 122 Cb 0.89 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.33 2wgi h GLN 122 CO 0.08 0.77 -0.02 0.82 -2.65 0.00 0.00 178.83 177.83 2wgi h ILE 123 N 0.46 0.74 -0.66 2.39 2.04 -1.23 -1.64 117.51 119.59 2wgi h ILE 123 Ca 0.10 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.96 2wgi h ILE 123 Cb 0.49 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2wgi h ILE 123 CO 0.02 0.01 0.42 0.00 0.00 0.00 0.00 178.15 178.61 2wgi h ALA 124 N 1.29 0.85 -0.52 1.87 0.00 -0.42 -2.29 119.26 120.05 2wgi h ALA 124 Ca 0.16 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2wgi h ALA 124 Cb 0.22 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2wgi h ALA 124 CO -0.28 0.21 0.24 0.00 0.00 0.00 0.00 179.25 179.42 2wgi h ARG 125 N 0.84 0.45 -0.04 0.00 3.08 -0.36 -2.67 114.38 115.68 2wgi h ARG 125 Ca 0.26 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.16 2wgi h ARG 125 Cb -0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 2wgi h ARG 125 CO -0.08 0.30 -0.50 0.93 -1.07 0.00 0.00 179.97 179.54 2wgi h GLU 126 N 0.46 0.11 -0.11 0.04 5.08 -1.04 -3.04 114.58 116.08 2wgi h GLU 126 Ca 0.24 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 2wgi h GLU 126 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2wgi h GLU 126 CO -0.19 0.59 0.04 0.28 -1.00 0.00 0.00 179.01 178.73 2wgi h VAL 127 N 0.08 1.15 0.00 3.13 2.07 -1.14 -3.50 116.25 118.04 2wgi h VAL 127 Ca 0.00 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2wgi h VAL 127 Cb 0.92 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2wgi h VAL 127 CO 0.07 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.40 2wgi n GLY 128 N -0.67 1.54 0.17 2.17 0.00 -1.03 -4.44 105.19 102.92 2wgi n GLY 128 Ca -0.06 -1.81 -0.06 0.00 0.00 0.00 0.00 46.02 44.09 2wgi n GLY 128 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wgi h GLU 129 N 0.00 0.36 0.03 1.61 4.81 -1.88 -2.26 114.58 117.25 2wgi h GLU 129 Ca 0.00 -0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 58.93 2wgi h GLU 129 Cb 0.00 -0.08 0.02 0.00 0.63 0.00 0.00 28.75 29.32 2wgi h GLU 129 CO 0.00 0.24 -1.09 0.28 -0.73 0.00 0.00 179.01 177.71 2wgi h VAL 130 N 0.37 1.28 -0.45 0.32 2.07 -2.00 -2.85 116.25 114.99 2wgi h VAL 130 Ca 0.18 -2.29 -0.14 0.00 0.82 0.00 0.00 66.70 65.27 2wgi h VAL 130 Cb 0.11 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 2wgi h VAL 130 CO -0.14 0.71 -0.27 0.03 0.02 0.00 0.00 177.57 177.92 2wgi h ARG 131 N 0.37 0.96 -0.49 1.57 3.08 -1.77 -2.29 114.38 115.82 2wgi h ARG 131 Ca -0.14 -0.44 -0.03 0.00 0.07 0.00 0.00 59.98 59.44 2wgi h ARG 131 Cb 1.75 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.75 2wgi h ARG 131 CO 0.21 1.11 0.17 1.98 -1.07 0.00 0.00 179.97 182.37 2wgi h MET 132 N 0.82 0.71 0.06 0.04 4.05 -1.46 -2.71 114.93 116.44 2wgi h MET 132 Ca 0.10 -0.11 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2wgi h MET 132 Cb 0.85 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.52 2wgi h MET 132 CO 0.07 0.60 -0.03 0.37 0.23 0.00 0.00 176.91 178.16 2wgi h GLN 133 N 0.70 -0.08 -1.01 0.39 5.75 -1.40 -2.97 115.11 116.50 2wgi h GLN 133 Ca 0.17 0.01 0.12 0.00 -0.15 0.00 0.00 58.65 58.79 2wgi h GLN 133 Cb 0.18 0.02 -0.09 0.00 1.07 0.00 0.00 27.48 28.66 2wgi h GLN 133 CO -0.01 0.36 0.63 -0.22 -2.65 0.00 0.00 178.83 176.94 2wgi h LYS 134 N -0.54 0.96 -0.03 1.69 3.64 -1.31 -2.18 116.57 118.80 2wgi h LYS 134 Ca -0.01 -0.06 -0.22 0.00 -1.27 0.00 0.00 60.65 59.09 2wgi h LYS 134 Cb 0.47 -0.22 0.02 0.00 -0.41 0.00 0.00 32.23 32.09 2wgi h LYS 134 CO 0.01 0.64 -0.86 1.88 -2.27 0.00 0.00 179.45 178.85 2wgi h TYR 135 N 0.99 0.91 0.00 1.91 0.05 -1.55 -2.90 116.97 116.39 2wgi h TYR 135 Ca 0.50 -0.48 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 2wgi h TYR 135 Cb 0.50 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 38.13 2wgi h TYR 135 CO -0.00 1.31 -0.14 -0.07 -1.05 0.00 0.00 178.16 178.21 2wgi h LEU 136 N 0.26 0.00 0.32 3.88 3.38 -1.32 0.96 115.31 122.79 2wgi h LEU 136 Ca -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2wgi h LEU 136 Cb 1.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 2wgi h LEU 136 CO 0.17 0.14 -0.15 0.50 0.09 0.00 0.00 178.44 179.19 2wgi h LYS 137 N 0.00 -0.41 0.00 1.13 3.64 -1.38 -1.36 116.57 118.19 2wgi h LYS 137 Ca -0.00 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 2wgi h LYS 137 Cb 0.26 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2wgi h LYS 137 CO 0.02 -0.19 -0.31 0.87 -2.27 0.00 0.00 179.45 177.57 2wgi h LYS 138 N -0.55 0.00 0.00 1.90 1.57 -1.20 -2.39 116.57 115.90 2wgi h LYS 138 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2wgi h LYS 138 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2wgi h LYS 138 CO 0.07 0.31 -0.09 1.19 -0.57 0.00 0.00 179.45 180.36 2wgi n PHE 139 N -4.03 0.45 -3.70 -1.35 3.72 0.28 -4.69 117.46 108.14 2wgi n PHE 139 Ca -0.02 0.13 -0.24 0.00 -0.05 0.00 0.00 57.45 57.27 2wgi n PHE 139 Cb 0.36 -0.69 0.05 0.00 -0.94 0.00 0.00 39.48 38.27 2wgi n PHE 139 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2wgi n SER 140 N -1.88 -4.16 -4.45 4.37 7.64 -0.78 -4.89 113.62 109.48 2wgi n SER 140 Ca 0.06 -0.69 -0.43 0.00 1.01 0.00 0.00 58.87 58.82 2wgi n SER 140 Cb 0.39 -4.47 -0.04 0.00 -1.01 0.00 0.00 64.21 59.08 2wgi n SER 140 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2wgi s TYR 141 N -3.39 2.73 0.00 1.43 5.04 -0.58 -4.96 117.35 117.61 2wgi s TYR 141 Ca 0.41 -0.64 0.00 0.00 -2.44 0.00 0.00 57.07 54.39 2wgi s TYR 141 Cb -0.19 -4.28 0.00 0.00 0.35 0.00 0.00 41.96 37.84 2wgi s TYR 141 CO 0.78 -1.61 0.00 0.41 -1.34 0.00 0.00 175.55 173.78 2wgi n GLY 142 N 5.35 0.62 0.19 8.97 0.00 -1.26 -3.30 105.19 115.75 2wgi n GLY 142 Ca -0.02 -0.78 0.15 0.00 0.00 0.00 0.00 46.02 45.36 2wgi n GLY 142 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wgi n ASN 143 N -1.08 0.64 -2.97 1.61 6.94 -0.16 -4.99 115.26 115.26 2wgi n ASN 143 Ca 0.00 -0.93 -0.11 0.00 -0.02 0.00 0.00 54.58 53.51 2wgi n ASN 143 Cb 0.00 -0.03 0.01 0.00 -2.36 0.00 0.00 39.78 37.40 2wgi n ASN 143 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wgi n GLN 144 N -0.66 -2.40 -3.66 -3.83 6.02 -1.21 -4.98 117.38 106.66 2wgi n GLN 144 Ca 0.18 2.05 -0.14 0.00 -0.01 0.00 0.00 57.00 59.08 2wgi n GLN 144 Cb 0.26 -4.62 -0.08 0.00 1.02 0.00 0.00 30.24 26.82 2wgi n GLN 144 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2wgi s ASN 145 N -2.07 -0.63 -0.32 1.08 3.04 -1.26 -5.07 114.94 109.70 2wgi s ASN 145 Ca 0.20 1.21 0.13 0.00 0.04 0.00 0.00 52.86 54.45 2wgi s ASN 145 Cb -0.04 1.23 0.46 0.00 -1.54 0.00 0.00 41.25 41.36 2wgi s ASN 145 CO 0.74 -0.22 1.10 2.30 -3.04 0.00 0.00 177.10 177.98 2wgi n ILE 146 N 2.71 1.83 -2.10 -5.21 -5.35 -1.26 -3.43 119.36 106.55 2wgi n ILE 146 Ca -0.14 -3.78 -0.32 0.00 -0.27 0.00 0.00 62.75 58.24 2wgi n ILE 146 Cb 0.56 -0.12 -0.01 0.00 -1.74 0.00 0.00 39.64 38.33 2wgi n ILE 146 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2wgi s SER 147 N -3.54 6.24 0.00 7.28 0.01 -1.26 -4.16 113.70 118.27 2wgi s SER 147 Ca 0.39 1.57 0.00 0.00 1.31 0.00 0.00 55.95 59.22 2wgi s SER 147 Cb 0.39 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 64.12 2wgi s SER 147 CO -0.03 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.37 2wgi n GLY 148 N -1.86 2.99 0.00 3.44 0.00 -1.26 -4.04 105.19 104.46 2wgi n GLY 148 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2wgi n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wgi n GLY 149 N 0.00 3.01 0.47 -0.02 0.00 -1.26 -4.91 105.19 102.48 2wgi n GLY 149 Ca 0.00 -1.22 0.02 0.00 0.00 0.00 0.00 46.02 44.83 2wgi n GLY 149 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2wgi n ILE 150 N -1.35 0.36 -2.29 -0.61 0.13 -1.26 -3.39 119.36 110.95 2wgi n ILE 150 Ca 0.00 -0.26 0.01 0.00 -1.10 0.00 0.00 62.75 61.40 2wgi n ILE 150 Cb 0.00 -0.05 -0.00 0.00 -0.84 0.00 0.00 39.64 38.75 2wgi n ILE 150 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 2wgi n ASP 151 N 0.06 0.40 0.00 9.51 5.75 -1.26 -4.37 116.55 126.64 2wgi n ASP 151 Ca 0.06 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 2wgi n ASP 151 Cb 0.24 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 2wgi n ASP 151 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wgi n LYS 152 N 0.29 1.66 -0.26 0.11 5.02 -1.22 -4.94 118.16 118.82 2wgi n LYS 152 Ca -0.02 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2wgi n LYS 152 Cb 0.95 -0.76 0.12 0.00 -0.02 0.00 0.00 35.03 35.33 2wgi n LYS 152 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2wgi h PHE 153 N 0.00 0.80 -0.28 2.13 -5.15 -1.70 -1.92 116.94 110.82 2wgi h PHE 153 Ca 0.00 0.03 -0.07 0.00 -0.20 0.00 0.00 57.97 57.73 2wgi h PHE 153 Cb 0.51 -0.25 -0.01 0.00 0.22 0.00 0.00 35.95 36.43 2wgi h PHE 153 CO 0.00 0.38 -0.08 0.00 -2.00 0.00 0.00 178.31 176.61 2wgi h ALA 154 N 1.38 0.39 0.17 12.09 0.00 -1.91 -2.50 119.26 128.88 2wgi h ALA 154 Ca 0.34 -0.29 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 2wgi h ALA 154 Cb 0.21 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2wgi h ALA 154 CO -0.19 0.21 -1.41 1.25 0.00 0.00 0.00 179.25 179.11 2wgi h LEU 155 N 0.30 0.57 -4.73 0.00 5.85 -1.80 -1.98 115.31 113.52 2wgi h LEU 155 Ca 0.07 -0.65 -0.15 0.00 0.84 0.00 0.00 57.88 57.99 2wgi h LEU 155 Cb 0.57 -0.18 -0.13 0.00 0.37 0.00 0.00 40.66 41.28 2wgi h LEU 155 CO 0.03 1.52 -0.23 -1.84 -0.34 0.00 0.00 178.44 177.58 2wgi n GLU 156 N -3.58 1.10 0.00 1.25 0.28 -0.74 -4.79 120.64 114.16 2wgi n GLU 156 Ca -0.14 -1.13 0.00 0.00 -0.16 0.00 0.00 57.16 55.73 2wgi n GLU 156 Cb 1.06 0.27 0.00 0.00 1.43 0.00 0.00 31.44 34.19 2wgi n GLU 156 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wgi n GLY 157 N -1.13 1.37 0.02 -1.84 0.00 -0.94 -4.85 105.19 97.83 2wgi n GLY 157 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2wgi n GLY 157 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wgi n GLN 158 N 0.00 0.00 -3.36 1.61 1.13 -1.23 -4.99 117.38 110.54 2wgi n GLN 158 Ca 0.00 -0.49 -0.38 0.00 -1.94 0.00 0.00 57.00 54.19 2wgi n GLN 158 Cb 0.00 -0.47 -0.06 0.00 0.11 0.00 0.00 30.24 29.82 2wgi n GLN 158 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2wgi s LEU 159 N 0.00 4.40 0.02 1.08 2.96 -1.22 -4.60 118.68 121.32 2wgi s LEU 159 Ca 0.00 0.97 -0.01 0.00 -0.22 0.00 0.00 54.13 54.87 2wgi s LEU 159 Cb 0.00 -2.71 -0.02 0.00 0.50 0.00 0.00 46.19 43.96 2wgi s LEU 159 CO 0.00 0.17 -0.01 -0.13 -1.32 0.00 0.00 176.35 175.06 2wgi s ARG 160 N -0.31 0.32 -0.02 1.98 1.81 -1.26 -4.23 118.95 117.23 2wgi s ARG 160 Ca 0.26 -0.55 -0.13 0.00 -1.72 0.00 0.00 55.73 53.59 2wgi s ARG 160 Cb -0.17 0.12 0.02 0.00 -0.45 0.00 0.00 34.95 34.47 2wgi s ARG 160 CO 0.13 -0.06 0.28 -1.50 -0.68 0.00 0.00 175.30 173.48 2wgi s ILE 161 N -1.38 0.06 0.29 1.52 2.07 0.64 -0.99 121.20 123.41 2wgi s ILE 161 Ca -0.15 -0.48 0.06 0.00 -1.41 0.00 0.00 60.65 58.68 2wgi s ILE 161 Cb -0.09 -0.57 -0.02 0.00 0.13 0.00 0.00 42.46 41.91 2wgi s ILE 161 CO -0.01 -0.26 0.38 -0.94 -1.91 0.00 0.00 174.94 172.20 2wgi s SER 162 N -1.22 5.97 0.26 4.50 1.04 -1.26 -0.98 113.70 122.00 2wgi s SER 162 Ca -0.13 -0.14 -0.03 0.00 0.48 0.00 0.00 55.95 56.14 2wgi s SER 162 Cb -0.05 -1.44 0.45 0.00 0.10 0.00 0.00 66.02 65.07 2wgi s SER 162 CO 0.03 -0.25 1.81 0.00 0.98 0.00 0.00 173.24 175.82 2wgi h ALA 163 N 1.10 1.27 -0.60 5.32 0.00 -1.73 -1.34 119.26 123.27 2wgi h ALA 163 Ca -0.48 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2wgi h ALA 163 Cb 1.24 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2wgi h ALA 163 CO 0.57 0.12 0.26 0.28 0.00 0.00 0.00 179.25 180.48 2wgi h VAL 164 N 0.83 1.22 -0.27 0.00 2.07 -1.83 -2.90 116.25 115.37 2wgi h VAL 164 Ca 0.43 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 2wgi h VAL 164 Cb 0.42 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 2wgi h VAL 164 CO -0.26 0.26 -0.13 -1.13 0.02 0.00 0.00 177.57 176.34 2wgi h ASN 165 N 0.83 0.45 -0.50 0.57 -0.00 -1.68 -2.76 115.58 112.49 2wgi h ASN 165 Ca 0.20 -0.11 -0.08 0.00 -0.00 0.00 0.00 56.30 56.31 2wgi h ASN 165 Cb 0.17 -0.12 -0.02 0.00 -0.00 0.00 0.00 38.32 38.35 2wgi h ASN 165 CO -0.02 0.61 0.00 1.56 -0.00 0.00 0.00 177.43 179.58 2wgi h GLN 166 N 0.43 0.89 -0.10 6.67 1.08 -1.08 -0.98 115.11 122.02 2wgi h GLN 166 Ca 0.08 -0.28 -0.11 0.00 -1.45 0.00 0.00 58.65 56.88 2wgi h GLN 166 Cb 0.48 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 2wgi h GLN 166 CO 0.03 0.92 -0.44 -0.39 -0.95 0.00 0.00 178.83 178.00 2wgi h VAL 167 N 0.75 1.32 -0.21 -0.54 -1.51 -1.40 0.17 116.25 114.83 2wgi h VAL 167 Ca 0.14 -1.60 -0.09 0.00 -1.23 0.00 0.00 66.70 63.92 2wgi h VAL 167 Cb 0.52 1.73 -0.00 0.00 -2.13 0.00 0.00 31.29 31.41 2wgi h VAL 167 CO 0.03 0.48 -0.22 -0.33 -1.23 0.00 0.00 177.57 176.29 2wgi h GLU 168 N 0.20 0.53 0.07 5.19 5.08 -1.27 -0.84 114.58 123.54 2wgi h GLU 168 Ca 0.01 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2wgi h GLU 168 Cb 0.86 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 2wgi h GLU 168 CO 0.07 0.87 -0.04 0.35 -1.00 0.00 0.00 179.01 179.25 2wgi h PHE 169 N 0.21 -0.11 -0.54 4.33 3.57 -1.06 -2.71 116.94 120.63 2wgi h PHE 169 Ca 0.03 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2wgi h PHE 169 Cb 0.77 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 2wgi h PHE 169 CO 0.08 -0.07 0.17 -0.07 -2.23 0.00 0.00 178.31 176.18 2wgi h LEU 170 N -0.11 0.74 -0.79 0.59 3.38 -0.92 -2.51 115.31 115.69 2wgi h LEU 170 Ca -0.01 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 2wgi h LEU 170 Cb 0.10 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2wgi h LEU 170 CO 0.01 0.71 0.14 -0.08 0.09 0.00 0.00 178.44 179.31 2wgi h GLU 171 N 0.79 1.06 -0.21 1.13 4.81 -1.09 -1.28 114.58 119.77 2wgi h GLU 171 Ca 0.18 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2wgi h GLU 171 Cb 0.23 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2wgi h GLU 171 CO -0.01 0.95 0.14 0.77 -0.73 0.00 0.00 179.01 180.13 2wgi h SER 172 N 1.00 0.25 -0.09 1.04 0.02 -1.16 -1.22 113.55 113.39 2wgi h SER 172 Ca 0.21 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 2wgi h SER 172 Cb 0.38 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2wgi h SER 172 CO 0.00 0.18 -0.05 0.25 -1.14 0.00 0.00 176.83 176.07 2wgi h LEU 173 N 0.29 -0.17 -0.46 5.07 5.85 -1.30 0.48 115.31 125.08 2wgi h LEU 173 Ca 0.08 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.93 2wgi h LEU 173 Cb -0.03 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 2wgi h LEU 173 CO -0.02 -0.07 -0.04 0.22 -0.34 0.00 0.00 178.44 178.19 2wgi h TYR 174 N -0.05 -0.11 -0.00 1.25 3.20 -1.07 -1.31 116.97 118.88 2wgi h TYR 174 Ca 0.05 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2wgi h TYR 174 Cb 0.13 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.52 2wgi h TYR 174 CO -0.17 -0.14 0.00 1.28 -1.64 0.00 0.00 178.16 177.50 2wgi n LEU 175 N -5.26 0.02 -2.55 2.82 4.77 -0.48 -4.89 117.00 111.42 2wgi n LEU 175 Ca 0.04 -0.01 -0.20 0.00 -0.03 0.00 0.00 56.01 55.81 2wgi n LEU 175 Cb 0.25 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2wgi n LEU 175 CO 0.15 0.00 -0.20 0.59 -1.33 0.00 0.00 177.39 176.61 2wgi n ASN 176 N -0.60 -5.74 -0.09 -1.43 3.02 -0.49 -4.91 115.26 105.01 2wgi n ASN 176 Ca 0.06 -0.06 0.11 0.00 -0.03 0.00 0.00 54.58 54.66 2wgi n ASN 176 Cb 0.03 -4.75 0.07 0.00 -0.61 0.00 0.00 39.78 34.52 2wgi n ASN 176 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2wgi n LYS 177 N -3.22 0.25 -1.06 3.52 5.02 0.16 -4.89 118.16 117.94 2wgi n LYS 177 Ca -0.21 -0.19 -0.31 0.00 -2.02 0.00 0.00 58.31 55.58 2wgi n LYS 177 Cb 0.66 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.30 2wgi n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wgi s LEU 178 N -2.88 3.00 -1.31 -0.35 1.43 -1.25 -4.89 118.68 112.44 2wgi s LEU 178 Ca 0.12 2.04 -0.09 0.00 -1.03 0.00 0.00 54.13 55.17 2wgi s LEU 178 Cb 0.17 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.77 2wgi s LEU 178 CO 0.74 -2.50 2.55 -1.20 0.23 0.00 0.00 176.35 176.17 2wgi n SER 179 N -3.70 6.78 -3.94 2.29 7.64 -1.26 -4.79 113.62 116.64 2wgi n SER 179 Ca 0.11 -2.49 -0.11 0.00 1.01 0.00 0.00 58.87 57.39 2wgi n SER 179 Cb 0.52 -1.37 -0.06 0.00 -1.01 0.00 0.00 64.21 62.29 2wgi n SER 179 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wgi s ALA 180 N 2.82 0.23 0.59 -0.43 0.00 -1.26 -5.06 121.76 118.64 2wgi s ALA 180 Ca 0.56 -1.16 -0.19 0.00 0.00 0.00 0.00 51.96 51.17 2wgi s ALA 180 Cb 0.15 1.16 -0.04 0.00 0.00 0.00 0.00 23.12 24.38 2wgi s ALA 180 CO -0.04 -0.78 1.21 -1.54 0.00 0.00 0.00 175.76 174.60 2wgi s SER 181 N -3.08 5.22 0.16 0.00 1.04 -1.26 -4.90 113.70 110.88 2wgi s SER 181 Ca 0.27 2.40 -0.15 0.00 0.48 0.00 0.00 55.95 58.96 2wgi s SER 181 Cb 0.01 -2.60 0.06 0.00 0.10 0.00 0.00 66.02 63.60 2wgi s SER 181 CO 0.11 -1.57 1.79 0.50 0.98 0.00 0.00 173.24 175.05 2wgi h LYS 182 N 0.94 0.47 -0.59 4.02 3.64 -1.94 -1.77 116.57 121.34 2wgi h LYS 182 Ca -0.50 -0.03 0.12 0.00 -1.27 0.00 0.00 60.65 58.96 2wgi h LYS 182 Cb 1.30 -0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 32.90 2wgi h LYS 182 CO 0.55 0.31 -0.22 1.49 -2.27 0.00 0.00 179.45 179.31 2wgi h GLU 183 N 0.48 -0.07 -0.42 1.90 4.81 -1.99 0.14 114.58 119.43 2wgi h GLU 183 Ca 0.18 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 2wgi h GLU 183 Cb 0.04 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2wgi h GLU 183 CO -0.10 -0.05 -0.21 -0.91 -0.73 0.00 0.00 179.01 177.01 2wgi h ASN 184 N -0.08 0.86 0.01 1.04 2.35 -1.85 -2.16 115.58 115.75 2wgi h ASN 184 Ca 0.27 -0.31 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 2wgi h ASN 184 Cb 0.50 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2wgi h ASN 184 CO -0.64 1.04 -0.21 1.56 -1.65 0.00 0.00 177.43 177.53 2wgi h GLN 185 N 0.73 0.36 -0.36 0.81 4.20 -0.51 -2.86 115.11 117.48 2wgi h GLN 185 Ca 0.10 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 2wgi h GLN 185 Cb 0.74 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 2wgi h GLN 185 CO 0.06 0.56 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.63 2wgi h LEU 186 N 0.33 0.69 -0.04 1.46 3.38 -0.51 -2.55 115.31 118.08 2wgi h LEU 186 Ca 0.06 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.70 2wgi h LEU 186 Cb 0.56 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2wgi h LEU 186 CO 0.04 0.89 -0.20 0.40 0.09 0.00 0.00 178.44 179.66 2wgi h ILE 187 N 0.49 0.52 -0.78 1.22 2.04 -1.21 -1.76 117.51 118.03 2wgi h ILE 187 Ca 0.09 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 2wgi h ILE 187 Cb 0.58 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 2wgi h ILE 187 CO 0.03 0.00 0.39 0.58 0.00 0.00 0.00 178.15 179.15 2wgi h VAL 188 N -0.30 1.24 -0.73 1.67 2.07 -1.58 -2.09 116.25 116.54 2wgi h VAL 188 Ca 0.07 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 66.98 2wgi h VAL 188 Cb 0.40 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 2wgi h VAL 188 CO -0.21 0.28 0.46 0.11 0.02 0.00 0.00 177.57 178.22 2wgi h LYS 189 N 1.09 0.87 -0.50 1.57 1.57 -1.00 -1.89 116.57 118.28 2wgi h LYS 189 Ca 0.27 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 2wgi h LYS 189 Cb 0.08 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2wgi h LYS 189 CO -0.04 0.57 -0.11 1.49 -0.57 0.00 0.00 179.45 180.80 2wgi h GLU 190 N 0.90 0.96 0.00 3.15 4.81 -1.08 -2.93 114.58 120.39 2wgi h GLU 190 Ca 0.29 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2wgi h GLU 190 Cb 0.02 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2wgi h GLU 190 CO -0.11 1.03 0.00 0.00 -0.73 0.00 0.00 179.01 179.20 2wgi h ALA 191 N 0.90 1.00 -0.01 2.92 0.00 -0.94 -2.63 119.26 120.49 2wgi h ALA 191 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2wgi h ALA 191 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2wgi h ALA 191 CO 0.05 0.00 -0.35 1.28 0.00 0.00 0.00 179.25 180.23 2wgi n LEU 192 N -2.63 1.72 -4.71 0.00 4.77 -0.75 -4.77 117.00 110.63 2wgi n LEU 192 Ca -0.01 -0.59 -0.42 0.00 -0.03 0.00 0.00 56.01 54.96 2wgi n LEU 192 Cb 0.14 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2wgi n LEU 192 CO 0.18 0.32 1.41 0.52 -1.33 0.00 0.00 177.39 178.48 2wgi n VAL 193 N -0.14 0.10 0.00 4.08 0.31 -0.99 -0.99 118.33 120.70 2wgi n VAL 193 Ca 0.11 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2wgi n VAL 193 Cb 0.43 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 2wgi n VAL 193 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2wgi n THR 194 N 4.19 0.00 -4.19 2.52 -2.24 0.11 -4.88 114.28 109.79 2wgi n THR 194 Ca 0.17 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.79 2wgi n THR 194 Cb 0.36 -0.74 -0.13 0.00 -2.10 0.00 0.00 70.33 67.71 2wgi n THR 194 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wgi s GLU 195 N -1.80 0.58 -0.08 -0.78 2.12 -1.12 -5.01 118.70 112.61 2wgi s GLU 195 Ca 0.00 -0.48 -0.03 0.00 0.36 0.00 0.00 54.97 54.82 2wgi s GLU 195 Cb 0.00 -0.50 0.04 0.00 0.26 0.00 0.00 34.13 33.94 2wgi s GLU 195 CO 0.00 0.12 0.09 0.00 -0.54 0.00 0.00 175.26 174.94 2wgi s ALA 196 N -0.66 0.16 0.34 6.30 0.00 -1.26 -0.55 121.76 126.10 2wgi s ALA 196 Ca -0.02 0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.17 2wgi s ALA 196 Cb -0.06 -0.77 -0.07 0.00 0.00 0.00 0.00 23.12 22.22 2wgi s ALA 196 CO 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 175.76 175.12 2wgi s ALA 197 N 2.20 2.61 0.41 0.00 0.00 -0.28 -5.04 121.76 121.66 2wgi s ALA 197 Ca 0.04 -2.12 0.10 0.00 0.00 0.00 0.00 51.96 49.98 2wgi s ALA 197 Cb -0.13 0.44 0.86 0.00 0.00 0.00 0.00 23.12 24.29 2wgi s ALA 197 CO -0.05 -0.21 1.98 -1.35 0.00 0.00 0.00 175.76 176.12 2wgi h PRO 198 N 2.03 0.27 0.00 0.00 0.11 -2.03 -3.24 132.00 129.15 2wgi h PRO 198 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2wgi h PRO 198 Cb 1.24 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wgi h PRO 198 CO 0.73 0.32 -1.37 0.39 -0.21 0.00 0.00 178.00 177.86 2wgi n GLU 199 N -4.35 0.58 -3.76 1.05 -0.58 -1.26 -5.00 120.64 107.32 2wgi n GLU 199 Ca -0.00 -0.01 -0.10 0.00 -0.42 0.00 0.00 57.16 56.63 2wgi n GLU 199 Cb 0.20 -1.68 -0.05 0.00 -0.57 0.00 0.00 31.44 29.33 2wgi n GLU 199 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 2wgi s TYR 200 N -3.40 -0.00 -0.02 -0.32 -0.85 -1.22 -3.39 117.35 108.14 2wgi s TYR 200 Ca -0.03 -0.35 -0.00 0.00 -0.52 0.00 0.00 57.07 56.17 2wgi s TYR 200 Cb 0.12 0.15 0.02 0.00 0.38 0.00 0.00 41.96 42.63 2wgi s TYR 200 CO 0.84 -0.70 0.04 -1.17 -1.52 0.00 0.00 175.55 173.04 2wgi s LEU 201 N -2.86 1.23 -0.15 -3.49 2.96 -0.04 -1.12 118.68 115.22 2wgi s LEU 201 Ca 0.07 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 54.05 2wgi s LEU 201 Cb 0.02 0.01 -0.00 0.00 0.50 0.00 0.00 46.19 46.72 2wgi s LEU 201 CO -0.08 -0.10 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.99 2wgi s VAL 202 N 0.84 2.63 -0.12 1.68 1.01 0.29 -1.38 120.40 125.36 2wgi s VAL 202 Ca -0.07 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 2wgi s VAL 202 Cb -0.10 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 2wgi s VAL 202 CO -0.03 0.52 -0.01 -1.00 0.00 0.00 0.00 175.10 174.59 2wgi s HIS 203 N 0.74 3.11 0.17 5.22 3.76 -0.78 0.10 115.29 127.61 2wgi s HIS 203 Ca -0.07 0.00 -0.24 0.00 -0.15 0.00 0.00 55.06 54.61 2wgi s HIS 203 Cb -0.16 -1.88 0.06 0.00 1.11 0.00 0.00 32.58 31.72 2wgi s HIS 203 CO 0.01 0.25 0.71 -1.54 -0.85 0.00 0.00 174.74 173.31 2wgi s SER 204 N -0.29 -0.42 -0.08 1.40 1.04 -0.16 -1.33 113.70 113.85 2wgi s SER 204 Ca 0.06 -0.19 -0.10 0.00 0.48 0.00 0.00 55.95 56.20 2wgi s SER 204 Cb -0.12 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.61 2wgi s SER 204 CO 0.02 -1.01 0.26 -0.75 0.98 0.00 0.00 173.24 172.74 2wgi s LYS 205 N -3.66 0.36 0.33 4.02 2.47 0.34 -4.84 119.74 118.78 2wgi s LYS 205 Ca 0.05 0.24 0.03 0.00 -1.56 0.00 0.00 55.97 54.73 2wgi s LYS 205 Cb -0.02 0.17 -0.02 0.00 -1.46 0.00 0.00 37.83 36.49 2wgi s LYS 205 CO -0.06 -0.06 0.51 0.95 0.16 0.00 0.00 175.35 176.85 2wgi s THR 206 N -0.15 4.83 0.02 3.43 -4.23 -1.26 -1.71 115.64 116.58 2wgi s THR 206 Ca -0.03 -0.68 -0.12 0.00 -1.18 0.00 0.00 61.69 59.68 2wgi s THR 206 Cb -0.03 -3.74 0.01 0.00 1.34 0.00 0.00 72.50 70.09 2wgi s THR 206 CO 0.01 -0.41 0.25 -0.83 -0.54 0.00 0.00 174.62 173.10 2wgi s GLY 207 N -4.07 -0.06 -0.30 3.99 0.00 -1.03 -3.78 107.32 102.08 2wgi s GLY 207 Ca 0.40 -0.02 -0.06 0.00 0.00 0.00 0.00 44.72 45.04 2wgi s GLY 207 CO 0.34 -0.21 0.74 -0.12 0.00 0.00 0.00 173.10 173.84 2wgi s PHE 208 N -2.11 -1.25 0.09 1.90 5.36 -1.26 -1.44 117.98 119.26 2wgi s PHE 208 Ca -0.08 1.53 -0.12 0.00 -0.96 0.00 0.00 56.93 57.30 2wgi s PHE 208 Cb -0.03 0.51 -0.20 0.00 -0.34 0.00 0.00 43.02 42.96 2wgi s PHE 208 CO -0.01 -0.67 1.21 0.66 -1.46 0.00 0.00 175.22 174.95 2wgi h SER 209 N 7.95 0.83 -2.64 6.13 4.64 -1.64 -3.45 113.55 125.37 2wgi h SER 209 Ca -0.20 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.45 2wgi h SER 209 Cb 1.15 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2wgi h SER 209 CO 0.14 1.47 0.00 0.61 -0.87 0.00 0.00 176.83 178.18 2wgi n GLY 210 N 1.06 0.58 0.03 -0.77 0.00 -1.26 -4.93 105.19 99.90 2wgi n GLY 210 Ca -0.10 -1.72 0.13 0.00 0.00 0.00 0.00 46.02 44.33 2wgi n GLY 210 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wgi n VAL 211 N -1.66 0.20 0.00 1.61 0.24 -1.26 -3.76 118.33 113.70 2wgi n VAL 211 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 2wgi n VAL 211 Cb 0.00 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 31.81 2wgi n VAL 211 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wgi n GLY 212 N 1.35 3.14 3.24 7.63 0.00 -1.26 -3.77 105.19 115.51 2wgi n GLY 212 Ca 0.06 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 2wgi n GLY 212 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wgi s THR 213 N 0.00 0.00 0.22 2.61 -4.23 0.13 -4.93 115.64 109.44 2wgi s THR 213 Ca 0.00 -1.98 -0.30 0.00 -1.18 0.00 0.00 61.69 58.23 2wgi s THR 213 Cb 0.00 -2.49 -0.09 0.00 1.34 0.00 0.00 72.50 71.26 2wgi s THR 213 CO 0.00 0.00 1.24 -1.83 -0.54 0.00 0.00 174.62 173.49 2wgi s GLU 214 N -3.95 4.45 0.00 3.99 1.03 -1.26 -2.52 118.70 120.44 2wgi s GLU 214 Ca 0.39 1.97 0.00 0.00 0.03 0.00 0.00 54.97 57.36 2wgi s GLU 214 Cb 0.05 -3.20 0.00 0.00 -0.80 0.00 0.00 34.13 30.19 2wgi s GLU 214 CO 0.16 -0.13 0.00 0.45 -1.33 0.00 0.00 175.26 174.41 2wgi n SER 215 N 2.24 0.00 -3.10 0.83 2.88 -1.26 -4.88 113.62 110.32 2wgi n SER 215 Ca 0.04 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.44 2wgi n SER 215 Cb 0.44 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.85 2wgi n SER 215 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2wgi s ASN 216 N -2.62 -0.04 0.86 -3.46 2.47 -1.05 -5.17 114.94 105.94 2wgi s ASN 216 Ca 0.00 -2.15 -0.13 0.00 0.42 0.00 0.00 52.86 51.00 2wgi s ASN 216 Cb 0.00 0.86 0.12 0.00 -1.45 0.00 0.00 41.25 40.78 2wgi s ASN 216 CO 0.00 -0.13 1.21 -2.16 -3.72 0.00 0.00 177.10 172.30 2wgi s PRO 217 N 0.71 1.51 0.49 0.43 0.05 -1.07 0.23 135.00 137.35 2wgi s PRO 217 Ca 0.28 -0.00 0.07 0.00 0.05 0.00 0.00 61.00 61.40 2wgi s PRO 217 Cb -0.01 -1.91 0.08 0.00 0.05 0.00 0.00 34.50 32.71 2wgi s PRO 217 CO -0.10 -1.89 0.68 0.41 0.05 0.00 0.00 177.00 176.15 2wgi n GLY 218 N -3.29 1.84 3.38 0.56 0.00 -0.40 -4.72 105.19 102.57 2wgi n GLY 218 Ca 0.10 -2.19 -0.27 0.00 0.00 0.00 0.00 46.02 43.65 2wgi n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wgi s VAL 219 N -2.04 2.19 -0.04 1.61 0.11 -1.26 -1.07 120.40 119.90 2wgi s VAL 219 Ca 0.51 -1.81 0.02 0.00 -2.93 0.00 0.00 61.98 57.77 2wgi s VAL 219 Cb -0.04 -1.97 0.01 0.00 -1.53 0.00 0.00 36.38 32.85 2wgi s VAL 219 CO 0.33 -0.00 -0.09 0.00 -3.33 0.00 0.00 175.10 172.00 2wgi s ALA 220 N -1.28 0.98 0.17 1.54 0.00 -0.81 -1.73 121.76 120.62 2wgi s ALA 220 Ca 0.15 -0.32 0.09 0.00 0.00 0.00 0.00 51.96 51.88 2wgi s ALA 220 Cb -0.09 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 2wgi s ALA 220 CO 0.07 0.11 -0.11 -1.58 0.00 0.00 0.00 175.76 174.25 2wgi s TRP 221 N 0.46 2.61 -0.06 0.00 0.52 -0.52 -1.59 118.94 120.36 2wgi s TRP 221 Ca -0.08 -0.23 -0.02 0.00 0.02 0.00 0.00 56.10 55.80 2wgi s TRP 221 Cb -0.12 -1.29 0.03 0.00 -1.15 0.00 0.00 33.47 30.94 2wgi s TRP 221 CO 0.01 0.50 0.02 -0.46 0.02 0.00 0.00 176.95 177.04 2wgi s TRP 222 N -1.63 0.49 0.02 -1.98 -0.00 0.04 -2.46 118.94 113.43 2wgi s TRP 222 Ca 0.24 -0.05 0.06 0.00 -0.00 0.00 0.00 56.10 56.35 2wgi s TRP 222 Cb -0.09 -0.71 -0.02 0.00 -0.00 0.00 0.00 33.47 32.65 2wgi s TRP 222 CO 0.14 -0.29 -0.18 0.14 -0.00 0.00 0.00 176.95 176.76 2wgi s VAL 223 N 2.03 1.44 0.00 5.86 -7.23 -0.70 -0.50 120.40 121.31 2wgi s VAL 223 Ca 0.05 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 2wgi s VAL 223 Cb -0.12 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.57 2wgi s VAL 223 CO -0.05 0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.59 2wgi n GLY 224 N 2.16 0.91 3.31 2.32 0.00 -0.73 -0.50 105.19 112.66 2wgi n GLY 224 Ca -0.16 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 2wgi n GLY 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2wgi s TRP 225 N -1.72 -0.25 -0.18 1.61 -2.14 -0.45 -1.83 118.94 113.98 2wgi s TRP 225 Ca 0.00 0.25 0.01 0.00 2.66 0.00 0.00 56.10 59.02 2wgi s TRP 225 Cb 0.00 0.19 0.02 0.00 -3.10 0.00 0.00 33.47 30.58 2wgi s TRP 225 CO 0.00 -0.53 -0.19 0.08 -2.66 0.00 0.00 176.95 173.64 2wgi s VAL 226 N -2.21 2.06 -0.20 -0.66 1.01 0.37 -1.87 120.40 118.91 2wgi s VAL 226 Ca -0.07 -0.98 -0.19 0.00 0.00 0.00 0.00 61.98 60.74 2wgi s VAL 226 Cb -0.02 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 2wgi s VAL 226 CO -0.01 0.51 0.55 -1.61 0.00 0.00 0.00 175.10 174.54 2wgi s GLU 227 N 1.28 4.20 -0.24 2.72 2.02 -0.48 -0.72 118.70 127.48 2wgi s GLU 227 Ca 0.04 0.47 -0.07 0.00 0.02 0.00 0.00 54.97 55.43 2wgi s GLU 227 Cb -0.13 -3.57 0.11 0.00 0.10 0.00 0.00 34.13 30.64 2wgi s GLU 227 CO -0.13 -0.17 0.50 0.21 0.02 0.00 0.00 175.26 175.69 2wgi s LYS 228 N 1.71 0.42 5.00 1.61 2.47 -0.87 -0.86 119.74 129.21 2wgi s LYS 228 Ca 0.25 1.13 0.00 0.00 -1.56 0.00 0.00 55.97 55.80 2wgi s LYS 228 Cb -0.16 0.46 0.00 0.00 -1.46 0.00 0.00 37.83 36.67 2wgi s LYS 228 CO 0.10 -0.28 0.00 -1.91 0.16 0.00 0.00 175.35 173.42 2wgi n GLU 229 N 5.41 0.00 0.00 4.03 4.07 -1.22 -1.85 120.64 131.09 2wgi n GLU 229 Ca -0.09 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.15 2wgi n GLU 229 Cb 0.49 0.00 0.50 0.00 -0.06 0.00 0.00 31.44 32.37 2wgi n GLU 229 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2wgi n THR 230 N 0.00 0.00 -2.90 6.31 -2.24 -1.26 -4.90 114.28 109.28 2wgi n THR 230 Ca 0.00 -0.03 -0.29 0.00 -2.27 0.00 0.00 64.05 61.45 2wgi n THR 230 Cb 0.00 -0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 2wgi n THR 230 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wgi s GLU 231 N -2.74 3.71 -0.02 -0.78 2.56 -0.77 -4.98 118.70 115.68 2wgi s GLU 231 Ca 0.20 0.33 0.03 0.00 0.00 0.00 0.00 54.97 55.54 2wgi s GLU 231 Cb 0.19 -2.43 -0.00 0.00 2.00 0.00 0.00 34.13 33.88 2wgi s GLU 231 CO 0.55 -0.02 -0.11 0.08 -0.56 0.00 0.00 175.26 175.20 2wgi s VAL 232 N -2.39 0.87 -0.23 3.70 1.01 -1.26 -2.05 120.40 120.04 2wgi s VAL 232 Ca 0.49 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2wgi s VAL 232 Cb -0.10 -0.74 0.06 0.00 0.00 0.00 0.00 36.38 35.60 2wgi s VAL 232 CO 0.34 0.25 -0.04 -0.31 0.00 0.00 0.00 175.10 175.34 2wgi s TYR 233 N -0.11 2.24 0.18 5.22 2.02 0.10 -1.35 117.35 125.64 2wgi s TYR 233 Ca 0.02 -1.66 -0.14 0.00 -0.37 0.00 0.00 57.07 54.92 2wgi s TYR 233 Cb -0.06 -1.52 -0.07 0.00 -0.40 0.00 0.00 41.96 39.91 2wgi s TYR 233 CO -0.00 -0.76 0.59 -0.06 -1.57 0.00 0.00 175.55 173.75 2wgi s PHE 234 N 1.45 3.57 -0.03 2.71 0.08 -0.36 -0.48 117.98 124.92 2wgi s PHE 234 Ca -0.05 1.09 -0.13 0.00 0.12 0.00 0.00 56.93 57.96 2wgi s PHE 234 Cb -0.19 -2.40 0.02 0.00 -0.57 0.00 0.00 43.02 39.89 2wgi s PHE 234 CO -0.06 0.37 0.28 -0.59 -0.10 0.00 0.00 175.22 175.12 2wgi s PHE 235 N -1.56 -0.18 -0.06 0.36 -0.71 -0.76 -0.27 117.98 114.80 2wgi s PHE 235 Ca 0.41 0.32 -0.04 0.00 -1.04 0.00 0.00 56.93 56.58 2wgi s PHE 235 Cb -0.14 0.08 0.02 0.00 -1.21 0.00 0.00 43.02 41.77 2wgi s PHE 235 CO 0.20 -0.33 0.16 0.00 -1.34 0.00 0.00 175.22 173.91 2wgi s ALA 236 N -1.02 -0.35 -0.01 1.99 0.00 -0.71 -1.77 121.76 119.88 2wgi s ALA 236 Ca -0.11 0.55 0.03 0.00 0.00 0.00 0.00 51.96 52.43 2wgi s ALA 236 Cb -0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 2wgi s ALA 236 CO 0.03 -0.11 -0.10 0.12 0.00 0.00 0.00 175.76 175.70 2wgi s PHE 237 N 0.50 0.96 0.03 0.00 2.19 0.35 -0.94 117.98 121.07 2wgi s PHE 237 Ca -0.03 -0.20 -0.09 0.00 0.33 0.00 0.00 56.93 56.93 2wgi s PHE 237 Cb -0.05 -0.64 0.00 0.00 -1.31 0.00 0.00 43.02 41.02 2wgi s PHE 237 CO -0.02 -0.04 0.18 0.54 1.83 0.00 0.00 175.22 177.70 2wgi s ASN 238 N -0.11 0.04 -0.01 6.13 2.20 -0.88 -0.78 114.94 121.54 2wgi s ASN 238 Ca 0.02 -0.34 -0.10 0.00 -0.94 0.00 0.00 52.86 51.49 2wgi s ASN 238 Cb -0.06 0.27 0.01 0.00 -2.00 0.00 0.00 41.25 39.47 2wgi s ASN 238 CO -0.00 -0.52 0.20 0.00 -2.94 0.00 0.00 177.10 173.84 2wgi s MET 239 N -2.34 0.52 0.33 3.55 0.23 -0.62 -0.37 119.30 120.61 2wgi s MET 239 Ca -0.07 -0.26 -0.29 0.00 -1.03 0.00 0.00 55.69 54.04 2wgi s MET 239 Cb -0.02 0.23 -0.10 0.00 -1.53 0.00 0.00 34.83 33.40 2wgi s MET 239 CO -0.03 -0.13 1.32 -0.51 -2.03 0.00 0.00 175.02 173.64 2wgi s ASP 240 N -1.22 6.75 -0.16 -1.18 1.01 0.11 -1.93 116.67 120.05 2wgi s ASP 240 Ca -0.13 2.71 -0.09 0.00 0.71 0.00 0.00 52.55 55.75 2wgi s ASP 240 Cb -0.06 -2.65 0.06 0.00 1.01 0.00 0.00 42.92 41.27 2wgi s ASP 240 CO 0.02 -0.56 0.39 -0.51 0.21 0.00 0.00 175.17 174.72 2wgi s ILE 241 N -1.10 -0.03 0.00 0.77 2.07 -0.23 -4.66 121.20 118.02 2wgi s ILE 241 Ca 0.49 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.83 2wgi s ILE 241 Cb -0.40 -0.57 0.00 0.00 0.13 0.00 0.00 42.46 41.62 2wgi s ILE 241 CO 0.53 0.04 0.00 -0.90 -1.91 0.00 0.00 174.94 172.70 2wgi n ASP 242 N 4.17 0.12 -4.09 4.50 5.68 -1.26 -1.27 116.55 124.40 2wgi n ASP 242 Ca -0.23 -0.35 -0.25 0.00 -0.50 0.00 0.00 54.79 53.46 2wgi n ASP 242 Cb 0.55 0.73 -0.16 0.00 -1.14 0.00 0.00 41.12 41.10 2wgi n ASP 242 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 2wgi s ASN 243 N -0.75 1.90 0.46 -1.12 2.47 -1.26 -4.74 114.94 111.89 2wgi s ASN 243 Ca 0.00 -0.31 0.18 0.00 0.42 0.00 0.00 52.86 53.15 2wgi s ASN 243 Cb 0.00 -0.61 1.09 0.00 -1.45 0.00 0.00 41.25 40.28 2wgi s ASN 243 CO 0.00 0.11 1.99 -0.33 -3.72 0.00 0.00 177.10 175.15 2wgi h GLU 244 N 6.44 0.00 0.00 0.43 5.08 -1.99 -2.68 114.58 121.87 2wgi h GLU 244 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2wgi h GLU 244 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2wgi h GLU 244 CO 0.48 0.20 0.00 0.66 -1.00 0.00 0.00 179.01 179.35 2wgi h SER 245 N 0.00 0.00 1.05 1.42 4.64 -2.05 -2.27 113.55 116.34 2wgi h SER 245 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wgi h SER 245 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2wgi h SER 245 CO 0.03 0.00 -0.20 0.29 -0.87 0.00 0.00 176.83 176.07 2wgi n LYS 246 N -2.67 0.14 -0.24 4.77 4.76 -1.01 -4.41 118.16 119.50 2wgi n LYS 246 Ca -0.00 0.09 0.02 0.00 -2.87 0.00 0.00 58.31 55.55 2wgi n LYS 246 Cb 0.18 -1.64 0.15 0.00 -1.84 0.00 0.00 35.03 31.88 2wgi n LYS 246 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2wgi h LEU 247 N 0.00 0.32 -1.97 -0.35 5.85 -1.57 -0.41 115.31 117.17 2wgi h LEU 247 Ca 0.00 0.08 0.28 0.00 0.84 0.00 0.00 57.88 59.08 2wgi h LEU 247 Cb 0.63 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 2wgi h LEU 247 CO 0.00 0.16 0.72 -0.65 -0.34 0.00 0.00 178.44 178.34 2wgi h PRO 248 N 0.48 0.00 0.00 5.25 0.11 -1.82 -1.37 132.00 134.65 2wgi h PRO 248 Ca 0.36 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.46 2wgi h PRO 248 Cb 0.47 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 2wgi h PRO 248 CO -0.33 0.00 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.34 2wgi h LEU 249 N 0.00 0.00 -2.31 2.35 3.38 -1.39 -2.17 115.31 115.17 2wgi h LEU 249 Ca 0.46 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.46 2wgi h LEU 249 Cb 1.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 2wgi h LEU 249 CO -0.00 0.05 0.17 0.08 0.09 0.00 0.00 178.44 178.83 2wgi h ARG 250 N 0.00 0.00 0.00 1.13 0.11 -1.40 -2.94 114.38 111.29 2wgi h ARG 250 Ca -0.00 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.86 2wgi h ARG 250 Cb 0.14 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.18 2wgi h ARG 250 CO 0.01 0.00 -1.83 1.63 0.10 0.00 0.00 179.97 179.87 2wgi n LYS 251 N -3.67 1.18 0.10 0.08 5.02 -0.87 -4.47 118.16 115.53 2wgi n LYS 251 Ca 0.00 0.04 -0.03 0.00 -2.02 0.00 0.00 58.31 56.30 2wgi n LYS 251 Cb 0.27 -1.30 0.16 0.00 -0.02 0.00 0.00 35.03 34.14 2wgi n LYS 251 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2wgi h SER 252 N 0.00 0.20 0.28 4.39 4.64 -1.31 -2.37 113.55 119.38 2wgi h SER 252 Ca -0.33 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 2wgi h SER 252 Cb 1.62 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 2wgi h SER 252 CO -0.02 0.72 -0.14 0.40 -0.87 0.00 0.00 176.83 176.92 2wgi h ILE 253 N 0.14 0.57 -0.92 0.95 2.04 -1.81 -2.05 117.51 116.43 2wgi h ILE 253 Ca -0.00 -0.83 0.09 0.00 1.00 0.00 0.00 64.86 65.12 2wgi h ILE 253 Cb 1.03 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.96 2wgi h ILE 253 CO 0.08 0.13 0.59 -0.65 0.00 0.00 0.00 178.15 178.31 2wgi h PRO 254 N -0.92 0.92 0.07 2.37 0.11 -1.80 -1.29 132.00 131.45 2wgi h PRO 254 Ca -0.04 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.02 2wgi h PRO 254 Cb 0.51 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 2wgi h PRO 254 CO 0.06 0.61 -0.10 1.15 -0.21 0.00 0.00 178.00 179.52 2wgi h THR 255 N 0.95 0.77 -0.48 -1.15 2.02 -1.50 -0.88 112.91 112.64 2wgi h THR 255 Ca 0.42 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.70 2wgi h THR 255 Cb 0.37 0.77 -0.09 0.00 -1.74 0.00 0.00 68.15 67.45 2wgi h THR 255 CO -0.18 0.00 -0.13 0.11 0.37 0.00 0.00 175.52 175.69 2wgi h LYS 256 N -0.20 -0.01 -0.42 6.66 1.79 -0.56 0.20 116.57 124.03 2wgi h LYS 256 Ca 0.02 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2wgi h LYS 256 Cb 0.21 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.85 2wgi h LYS 256 CO -0.05 -0.01 0.22 0.82 -1.08 0.00 0.00 179.45 179.35 2wgi h ILE 257 N -0.01 1.16 0.00 1.86 2.04 -1.10 -2.43 117.51 119.02 2wgi h ILE 257 Ca 0.23 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 2wgi h ILE 257 Cb 0.37 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2wgi h ILE 257 CO -0.50 0.17 -0.31 0.24 0.00 0.00 0.00 178.15 177.75 2wgi h MET 258 N 0.54 0.00 -0.14 2.37 2.86 -0.63 -2.89 114.93 117.03 2wgi h MET 258 Ca 0.15 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 2wgi h MET 258 Cb 0.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 2wgi h MET 258 CO -0.02 0.31 -0.06 0.93 1.06 0.00 0.00 176.91 179.12 2wgi h GLU 259 N 0.00 0.30 0.00 1.72 5.08 -0.33 -0.79 114.58 120.56 2wgi h GLU 259 Ca -0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2wgi h GLU 259 Cb 0.80 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2wgi h GLU 259 CO 0.04 0.62 0.00 0.66 -1.00 0.00 0.00 179.01 179.33 2wgi h SER 260 N -0.03 0.00 0.03 1.42 4.64 -1.37 -1.25 113.55 116.98 2wgi h SER 260 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2wgi h SER 260 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2wgi h SER 260 CO 0.02 0.00 -0.11 -0.62 -0.87 0.00 0.00 176.83 175.25 2wgi n GLU 261 N -2.78 1.64 -1.91 4.77 -0.58 -1.10 -4.96 120.64 115.71 2wgi n GLU 261 Ca 0.00 -1.16 -0.06 0.00 -0.42 0.00 0.00 57.16 55.53 2wgi n GLU 261 Cb 0.22 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 29.61 2wgi n GLU 261 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wgi n GLY 262 N 1.29 0.27 0.01 0.62 0.00 -0.47 -4.98 105.19 101.93 2wgi n GLY 262 Ca 0.15 -0.68 -0.00 0.00 0.00 0.00 0.00 46.02 45.49 2wgi n GLY 262 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wgi h ILE 263 N 0.00 0.00 -1.31 -0.61 1.08 -1.35 -3.49 117.51 111.82 2wgi h ILE 263 Ca -0.13 -0.16 -0.51 0.00 -0.39 0.00 0.00 64.86 63.67 2wgi h ILE 263 Cb 0.95 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 2wgi h ILE 263 CO 0.16 0.00 -0.36 0.27 -0.69 0.00 0.00 178.15 177.54 2wgi s ILE 264 N -1.14 2.43 0.00 -0.67 -4.36 -1.24 -4.98 121.20 111.24 2wgi s ILE 264 Ca -0.01 -1.37 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 2wgi s ILE 264 Cb 0.00 -2.80 0.00 0.00 1.25 0.00 0.00 42.46 40.91 2wgi s ILE 264 CO 0.02 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.81