#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gaw n ALA 12 N 0.00 4.35 -2.91 0.55 0.00 -1.26 -4.85 120.51 116.39 1gaw n ALA 12 Ca 0.00 -0.44 -0.25 0.00 0.00 0.00 0.00 53.44 52.76 1gaw n ALA 12 Cb 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.01 1gaw n ALA 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1gaw s THR 13 N 0.43 5.09 -0.20 0.00 2.01 -1.26 -5.06 115.64 116.65 1gaw s THR 13 Ca 0.16 -0.87 -0.29 0.00 0.31 0.00 0.00 61.69 60.99 1gaw s THR 13 Cb 0.08 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 1gaw s THR 13 CO 0.00 -0.16 1.43 0.00 -0.69 0.00 0.00 174.62 175.20 1gaw s ALA 14 N -1.82 3.47 -0.38 7.40 0.00 -1.26 -4.96 121.76 124.21 1gaw s ALA 14 Ca 0.34 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.75 1gaw s ALA 14 Cb -0.10 -3.74 0.13 0.00 0.00 0.00 0.00 23.12 19.40 1gaw s ALA 14 CO 0.27 -1.57 0.19 0.15 0.00 0.00 0.00 175.76 174.81 1gaw s LYS 15 N 4.07 0.94 -0.12 0.00 -0.14 -1.26 -4.97 119.74 118.27 1gaw s LYS 15 Ca 0.63 -1.58 0.02 0.00 -1.36 0.00 0.00 55.97 53.67 1gaw s LYS 15 Cb -0.23 -1.97 -0.24 0.00 -1.68 0.00 0.00 37.83 33.70 1gaw s LYS 15 CO 0.23 -1.13 0.36 0.00 -0.76 0.00 0.00 175.35 174.05 1gaw n ALA 16 N 4.03 1.17 -1.17 5.17 0.00 -1.26 -4.97 120.51 123.48 1gaw n ALA 16 Ca 0.06 -0.76 -0.31 0.00 0.00 0.00 0.00 53.44 52.44 1gaw n ALA 16 Cb 0.37 -0.62 0.12 0.00 0.00 0.00 0.00 19.45 19.32 1gaw n ALA 16 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1gaw s LYS 17 N -2.56 1.72 0.07 0.00 1.02 -1.26 -5.02 119.74 113.71 1gaw s LYS 17 Ca -0.18 1.08 -0.24 0.00 0.02 0.00 0.00 55.97 56.65 1gaw s LYS 17 Cb 0.07 -1.84 -0.06 0.00 -0.52 0.00 0.00 37.83 35.48 1gaw s LYS 17 CO 0.77 -1.99 0.74 0.15 -0.92 0.00 0.00 175.35 174.10 1gaw s LYS 18 N -4.88 4.48 -0.21 1.68 3.01 -1.26 -5.04 119.74 117.52 1gaw s LYS 18 Ca 0.63 1.03 -0.21 0.00 -1.01 0.00 0.00 55.97 56.41 1gaw s LYS 18 Cb -0.18 -3.33 -0.02 0.00 -1.01 0.00 0.00 37.83 33.28 1gaw s LYS 18 CO 0.57 0.37 0.65 -1.83 0.51 0.00 0.00 175.35 175.62 1gaw s GLU 19 N -0.36 4.20 0.54 1.68 1.03 -1.26 -5.06 118.70 119.48 1gaw s GLU 19 Ca 0.37 0.64 -0.01 0.00 0.03 0.00 0.00 54.97 56.00 1gaw s GLU 19 Cb -0.21 -3.59 0.02 0.00 -0.80 0.00 0.00 34.13 29.55 1gaw s GLU 19 CO 0.23 -0.28 0.79 0.45 -1.33 0.00 0.00 175.26 175.11 1gaw s SER 20 N 1.25 5.47 0.00 0.83 0.15 -1.26 -4.99 113.70 115.15 1gaw s SER 20 Ca 0.29 0.28 0.24 0.00 0.70 0.00 0.00 55.95 57.46 1gaw s SER 20 Cb -0.16 -1.29 0.41 0.00 -1.71 0.00 0.00 66.02 63.28 1gaw s SER 20 CO 0.10 -1.03 1.39 0.29 1.20 0.00 0.00 173.24 175.19 1gaw n LYS 21 N -2.36 2.25 -4.07 5.44 5.02 -1.26 -4.93 118.16 118.25 1gaw n LYS 21 Ca 0.05 -1.84 -0.22 0.00 -2.02 0.00 0.00 58.31 54.28 1gaw n LYS 21 Cb 0.59 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 34.09 1gaw n LYS 21 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1gaw s LYS 22 N -1.84 3.10 -1.11 1.97 1.02 -1.26 -1.29 119.74 120.33 1gaw s LYS 22 Ca 0.33 -0.95 -0.22 0.00 0.02 0.00 0.00 55.97 55.16 1gaw s LYS 22 Cb 0.21 -2.68 0.04 0.00 -0.52 0.00 0.00 37.83 34.88 1gaw s LYS 22 CO 0.31 0.42 1.62 -0.65 -0.92 0.00 0.00 175.35 176.12 1gaw s GLN 23 N -3.85 3.54 0.00 1.68 -0.21 0.30 -4.66 119.66 116.46 1gaw s GLN 23 Ca 0.33 -1.31 0.22 0.00 0.02 0.00 0.00 55.36 54.62 1gaw s GLN 23 Cb -0.08 -5.38 -0.06 0.00 1.00 0.00 0.00 33.01 28.49 1gaw s GLN 23 CO 0.26 -2.46 0.98 0.39 -2.12 0.00 0.00 175.29 172.34 1gaw n GLU 24 N 8.70 0.08 -1.89 2.91 1.02 -1.26 -4.81 120.64 125.38 1gaw n GLU 24 Ca 0.39 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 57.10 1gaw n GLU 24 Cb 0.49 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 1gaw n GLU 24 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1gaw s GLU 25 N -3.06 4.17 0.00 3.49 2.12 -1.26 -2.29 118.70 121.87 1gaw s GLU 25 Ca 0.07 2.33 0.00 0.00 0.36 0.00 0.00 54.97 57.73 1gaw s GLU 25 Cb 0.16 -4.02 0.00 0.00 0.26 0.00 0.00 34.13 30.53 1gaw s GLU 25 CO 0.83 -0.88 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 1gaw n GLY 26 N 4.26 0.86 3.72 -1.50 0.00 -1.26 -5.01 105.19 106.25 1gaw n GLY 26 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1gaw n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gaw s VAL 27 N -3.37 3.84 0.09 1.61 1.01 -0.97 -5.03 120.40 117.57 1gaw s VAL 27 Ca 0.00 1.34 0.08 0.00 0.00 0.00 0.00 61.98 63.40 1gaw s VAL 27 Cb 0.00 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1gaw s VAL 27 CO 0.00 0.11 -0.19 0.68 0.00 0.00 0.00 175.10 175.70 1gaw s VAL 28 N 0.96 2.73 0.02 2.92 -7.23 -1.26 -5.12 120.40 113.43 1gaw s VAL 28 Ca 0.59 -1.41 0.01 0.00 -1.81 0.00 0.00 61.98 59.37 1gaw s VAL 28 Cb -0.31 -2.20 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 1gaw s VAL 28 CO 0.30 0.20 -0.06 0.42 -0.31 0.00 0.00 175.10 175.65 1gaw s THR 29 N -1.04 0.38 -1.34 5.32 -4.23 -1.26 -4.52 115.64 108.95 1gaw s THR 29 Ca 0.16 -0.74 -0.03 0.00 -1.18 0.00 0.00 61.69 59.90 1gaw s THR 29 Cb -0.10 -0.42 0.01 0.00 1.34 0.00 0.00 72.50 73.33 1gaw s THR 29 CO 0.08 -0.25 0.79 0.59 -0.54 0.00 0.00 174.62 175.28 1gaw n ASN 30 N 1.99 -2.01 -0.03 3.99 3.02 0.88 -4.85 115.26 118.26 1gaw n ASN 30 Ca -0.20 -0.79 -0.16 0.00 -0.03 0.00 0.00 54.58 53.40 1gaw n ASN 30 Cb 0.56 -4.15 -0.06 0.00 -0.61 0.00 0.00 39.78 35.52 1gaw n ASN 30 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1gaw h LEU 31 N -1.94 0.94 -8.59 3.41 6.46 -1.17 -3.43 115.31 110.99 1gaw h LEU 31 Ca -0.60 -0.59 -0.67 0.00 -0.12 0.00 0.00 57.88 55.90 1gaw h LEU 31 Cb 1.36 -0.27 -0.28 0.00 -0.73 0.00 0.00 40.66 40.73 1gaw h LEU 31 CO 0.58 1.38 -0.80 -0.31 -0.62 0.00 0.00 178.44 178.67 1gaw s TYR 32 N -3.84 2.70 0.34 1.25 1.51 -0.46 -4.96 117.35 113.88 1gaw s TYR 32 Ca -0.10 -0.66 0.09 0.00 -1.01 0.00 0.00 57.07 55.39 1gaw s TYR 32 Cb 0.09 -1.75 -0.05 0.00 -0.11 0.00 0.00 41.96 40.14 1gaw s TYR 32 CO 0.90 -0.19 0.02 0.15 -1.11 0.00 0.00 175.55 175.32 1gaw s LYS 33 N 0.11 2.10 0.35 -0.62 1.02 -1.25 -0.41 119.74 121.04 1gaw s LYS 33 Ca -0.08 -1.72 0.13 0.00 0.02 0.00 0.00 55.97 54.32 1gaw s LYS 33 Cb -0.15 -1.95 0.98 0.00 -0.52 0.00 0.00 37.83 36.19 1gaw s LYS 33 CO 0.05 0.14 1.74 -1.35 -0.92 0.00 0.00 175.35 175.01 1gaw h PRO 34 N 1.79 0.48 -0.96 -1.68 0.11 -1.99 -1.29 132.00 128.46 1gaw h PRO 34 Ca -0.43 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1gaw h PRO 34 Cb 1.25 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 1gaw h PRO 34 CO 0.66 0.32 0.63 1.57 -0.21 0.00 0.00 178.00 180.96 1gaw h LYS 35 N 0.49 1.28 -2.33 1.05 2.10 -2.01 -3.34 116.57 113.82 1gaw h LYS 35 Ca 0.64 -0.09 -0.59 0.00 -2.00 0.00 0.00 60.65 58.62 1gaw h LYS 35 Cb 1.38 -0.28 -0.38 0.00 -0.90 0.00 0.00 32.23 32.04 1gaw h LYS 35 CO -0.42 0.86 -0.98 0.39 -2.00 0.00 0.00 179.45 177.30 1gaw n GLU 36 N -4.39 0.39 -1.39 0.07 1.02 -0.54 -5.13 120.64 110.66 1gaw n GLU 36 Ca 0.11 -3.27 -0.30 0.00 -0.02 0.00 0.00 57.16 53.69 1gaw n GLU 36 Cb 0.02 -1.63 0.11 0.00 -0.02 0.00 0.00 31.44 29.93 1gaw n GLU 36 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1gaw s PRO 37 N -0.27 1.65 0.04 3.49 0.04 -0.85 -3.96 135.00 135.14 1gaw s PRO 37 Ca 0.33 0.71 -0.22 0.00 0.04 0.00 0.00 61.00 61.86 1gaw s PRO 37 Cb 0.06 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 1gaw s PRO 37 CO -0.18 -1.94 0.65 -0.47 0.04 0.00 0.00 177.00 175.11 1gaw s TYR 38 N -3.06 3.75 -0.50 0.56 5.04 0.44 -4.84 117.35 118.74 1gaw s TYR 38 Ca 0.62 1.33 -0.14 0.00 -2.44 0.00 0.00 57.07 56.44 1gaw s TYR 38 Cb -0.16 -2.66 0.10 0.00 0.35 0.00 0.00 41.96 39.59 1gaw s TYR 38 CO 0.55 0.39 0.42 0.08 -1.34 0.00 0.00 175.55 175.66 1gaw s VAL 39 N -0.43 5.02 0.46 3.14 1.01 -1.26 -0.12 120.40 128.21 1gaw s VAL 39 Ca 0.33 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1gaw s VAL 39 Cb -0.20 -4.13 0.09 0.00 0.00 0.00 0.00 36.38 32.15 1gaw s VAL 39 CO 0.20 -0.72 0.62 0.61 0.00 0.00 0.00 175.10 175.82 1gaw n GLY 40 N 5.16 0.75 2.96 4.51 0.00 0.20 -4.86 105.19 113.91 1gaw n GLY 40 Ca -0.12 -2.01 -0.16 0.00 0.00 0.00 0.00 46.02 43.73 1gaw n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gaw s ARG 41 N -4.08 0.42 -0.04 1.61 3.52 -1.23 -1.59 118.95 117.56 1gaw s ARG 41 Ca 0.42 -0.19 -0.30 0.00 -0.13 0.00 0.00 55.73 55.53 1gaw s ARG 41 Cb -0.02 -0.41 -0.03 0.00 -1.56 0.00 0.00 34.95 32.92 1gaw s ARG 41 CO 0.28 0.11 1.18 0.00 -0.81 0.00 0.00 175.30 176.05 1gaw n LEU 43 N 4.92 2.12 -3.75 0.00 4.32 -0.04 -0.48 117.00 124.09 1gaw n LEU 43 Ca 0.10 -0.09 -0.13 0.00 -0.02 0.00 0.00 56.01 55.87 1gaw n LEU 43 Cb 0.47 -0.46 -0.09 0.00 -1.62 0.00 0.00 43.42 41.72 1gaw n LEU 43 CO 0.55 0.77 0.04 -0.76 -1.22 0.00 0.00 177.39 176.77 1gaw s LEU 44 N -6.09 0.77 -0.26 2.23 1.43 -1.19 -4.78 118.68 110.79 1gaw s LEU 44 Ca -0.25 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1gaw s LEU 44 Cb 0.07 1.32 0.15 0.00 0.03 0.00 0.00 46.19 47.77 1gaw s LEU 44 CO 0.61 -0.44 0.43 0.21 0.23 0.00 0.00 176.35 177.40 1gaw s ASN 45 N -1.23 -0.14 -0.03 2.29 2.47 -1.26 -1.02 114.94 116.02 1gaw s ASN 45 Ca -0.13 0.30 0.04 0.00 0.42 0.00 0.00 52.86 53.49 1gaw s ASN 45 Cb -0.05 1.37 -0.00 0.00 -1.45 0.00 0.00 41.25 41.11 1gaw s ASN 45 CO 0.04 -0.30 -0.16 -0.89 -3.72 0.00 0.00 177.10 172.07 1gaw s THR 46 N 2.62 1.34 -0.13 -5.21 2.01 -0.13 -4.96 115.64 111.18 1gaw s THR 46 Ca 0.14 -0.68 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 1gaw s THR 46 Cb -0.15 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 1gaw s THR 46 CO -0.19 0.39 1.17 -0.75 -0.69 0.00 0.00 174.62 174.55 1gaw s LYS 47 N -0.05 4.31 0.00 4.92 2.20 -1.26 -0.49 119.74 129.37 1gaw s LYS 47 Ca -0.01 1.58 0.19 0.00 -0.36 0.00 0.00 55.97 57.37 1gaw s LYS 47 Cb -0.10 -3.64 0.21 0.00 -1.51 0.00 0.00 37.83 32.79 1gaw s LYS 47 CO 0.01 -0.55 1.16 0.44 -0.36 0.00 0.00 175.35 176.06 1gaw n ILE 48 N 4.98 0.14 -3.99 5.43 -5.35 -0.31 -4.94 119.36 115.32 1gaw n ILE 48 Ca 0.12 -0.57 -0.24 0.00 -0.27 0.00 0.00 62.75 61.79 1gaw n ILE 48 Cb 0.46 1.28 -0.03 0.00 -1.74 0.00 0.00 39.64 39.61 1gaw n ILE 48 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1gaw s THR 49 N -1.53 5.09 0.73 7.28 -4.23 -1.23 -4.86 115.64 116.90 1gaw s THR 49 Ca 0.25 -0.93 -0.11 0.00 -1.18 0.00 0.00 61.69 59.71 1gaw s THR 49 Cb 0.17 -3.69 0.03 0.00 1.34 0.00 0.00 72.50 70.35 1gaw s THR 49 CO 0.25 -0.21 1.08 -0.83 -0.54 0.00 0.00 174.62 174.37 1gaw s GLY 50 N -3.57 1.75 0.57 3.99 0.00 0.03 -4.92 107.32 105.18 1gaw s GLY 50 Ca 0.34 0.26 0.27 0.00 0.00 0.00 0.00 44.72 45.59 1gaw s GLY 50 CO 0.28 0.60 2.23 -0.55 0.00 0.00 0.00 173.10 175.65 1gaw h ASP 51 N -0.82 0.00 0.12 1.64 3.45 -1.99 -1.39 116.42 117.43 1gaw h ASP 51 Ca -0.44 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.02 1gaw h ASP 51 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 1gaw h ASP 51 CO 0.53 0.01 -0.08 -0.90 -1.57 0.00 0.00 179.24 177.23 1gaw n ASP 52 N -3.94 1.02 -4.76 6.45 5.75 -1.26 -4.92 116.55 114.89 1gaw n ASP 52 Ca -0.03 -1.13 -0.39 0.00 -0.01 0.00 0.00 54.79 53.24 1gaw n ASP 52 Cb 0.09 0.02 0.01 0.00 -1.03 0.00 0.00 41.12 40.21 1gaw n ASP 52 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gaw s ALA 53 N -2.20 3.11 -0.83 2.12 0.00 -0.53 -4.93 121.76 118.50 1gaw s ALA 53 Ca 0.34 1.26 0.24 0.00 0.00 0.00 0.00 51.96 53.80 1gaw s ALA 53 Cb 0.21 -3.51 0.94 0.00 0.00 0.00 0.00 23.12 20.76 1gaw s ALA 53 CO 0.41 -1.00 1.75 -0.35 0.00 0.00 0.00 175.76 176.56 1gaw n PRO 54 N -0.30 0.11 -0.01 0.00 -0.04 -1.26 -4.49 135.00 129.01 1gaw n PRO 54 Ca 0.06 0.19 -0.01 0.00 -0.04 0.00 0.00 63.50 63.70 1gaw n PRO 54 Cb 0.44 -1.65 -0.01 0.00 -0.04 0.00 0.00 33.50 32.24 1gaw n PRO 54 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gaw n GLY 55 N 0.84 -0.02 0.90 0.55 0.00 -1.26 -5.10 105.19 101.10 1gaw n GLY 55 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1gaw n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1gaw n GLU 56 N -2.83 0.00 -5.17 1.61 2.13 -1.26 -4.35 120.64 110.77 1gaw n GLU 56 Ca -0.03 0.39 -0.29 0.00 0.66 0.00 0.00 57.16 57.89 1gaw n GLU 56 Cb 0.52 -0.51 -0.16 0.00 0.27 0.00 0.00 31.44 31.57 1gaw n GLU 56 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1gaw s THR 57 N 0.00 1.88 0.08 6.31 2.01 -1.26 -1.52 115.64 123.14 1gaw s THR 57 Ca 0.00 -1.03 0.10 0.00 0.31 0.00 0.00 61.69 61.06 1gaw s THR 57 Cb 0.00 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 1gaw s THR 57 CO 0.00 0.52 -0.25 0.26 -0.69 0.00 0.00 174.62 174.46 1gaw s TRP 58 N -0.57 2.35 -0.24 4.92 0.52 0.48 -1.16 118.94 125.24 1gaw s TRP 58 Ca 0.09 -0.38 -0.04 0.00 0.02 0.00 0.00 56.10 55.79 1gaw s TRP 58 Cb -0.09 -1.35 0.00 0.00 -1.15 0.00 0.00 33.47 30.88 1gaw s TRP 58 CO -0.01 0.22 -0.02 -1.58 0.02 0.00 0.00 176.95 175.59 1gaw s HIS 59 N -0.92 3.02 0.11 -1.98 2.46 0.36 -0.75 115.29 117.60 1gaw s HIS 59 Ca 0.13 -1.03 0.08 0.00 0.47 0.00 0.00 55.06 54.71 1gaw s HIS 59 Cb -0.10 -2.13 -0.04 0.00 -0.13 0.00 0.00 32.58 30.18 1gaw s HIS 59 CO 0.04 -0.57 -0.19 0.00 -2.47 0.00 0.00 174.74 171.54 1gaw s MET 60 N 1.46 1.12 -0.07 2.88 0.23 -0.70 -0.95 119.30 123.27 1gaw s MET 60 Ca 0.04 -1.19 0.04 0.00 -1.03 0.00 0.00 55.69 53.56 1gaw s MET 60 Cb -0.15 -1.30 -0.00 0.00 -1.53 0.00 0.00 34.83 31.84 1gaw s MET 60 CO -0.02 0.29 -0.21 0.08 -2.03 0.00 0.00 175.02 173.14 1gaw s VAL 61 N -1.37 1.74 0.06 5.16 1.01 -0.19 -1.02 120.40 125.79 1gaw s VAL 61 Ca 0.07 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.27 1gaw s VAL 61 Cb -0.09 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1gaw s VAL 61 CO 0.04 0.49 -0.23 -0.36 0.00 0.00 0.00 175.10 175.04 1gaw s PHE 62 N 0.16 2.42 0.29 5.22 0.08 0.35 -0.86 117.98 125.64 1gaw s PHE 62 Ca -0.10 -0.34 -0.26 0.00 0.12 0.00 0.00 56.93 56.35 1gaw s PHE 62 Cb -0.15 -1.40 -0.09 0.00 -0.57 0.00 0.00 43.02 40.81 1gaw s PHE 62 CO 0.05 0.22 0.91 -1.54 -0.10 0.00 0.00 175.22 174.76 1gaw s SER 63 N -1.49 7.36 0.00 1.36 1.04 0.26 -1.59 113.70 120.64 1gaw s SER 63 Ca 0.13 1.80 0.00 0.00 0.48 0.00 0.00 55.95 58.36 1gaw s SER 63 Cb -0.10 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1gaw s SER 63 CO 0.04 0.00 0.14 0.35 0.98 0.00 0.00 173.24 174.75 1gaw n THR 64 N 0.80 0.00 -1.12 2.02 -2.24 -0.29 -3.52 114.28 109.93 1gaw n THR 64 Ca 0.00 -0.22 -0.05 0.00 -2.27 0.00 0.00 64.05 61.52 1gaw n THR 64 Cb 0.50 1.37 -0.02 0.00 -2.10 0.00 0.00 70.33 70.07 1gaw n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1gaw n GLU 65 N -0.15 -1.86 -1.05 -0.78 1.02 -1.20 -0.77 120.64 115.85 1gaw n GLU 65 Ca 0.00 0.66 -0.02 0.00 -0.02 0.00 0.00 57.16 57.78 1gaw n GLU 65 Cb 0.09 -5.07 -0.01 0.00 -0.02 0.00 0.00 31.44 26.44 1gaw n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gaw n GLY 66 N 0.62 0.52 0.22 0.62 0.00 -1.26 -4.90 105.19 101.02 1gaw n GLY 66 Ca -0.05 -0.37 0.15 0.00 0.00 0.00 0.00 46.02 45.75 1gaw n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gaw n LYS 67 N -2.53 1.24 -3.79 1.61 5.02 0.05 -4.43 118.16 115.34 1gaw n LYS 67 Ca -0.02 -0.45 -0.29 0.00 -2.02 0.00 0.00 58.31 55.54 1gaw n LYS 67 Cb 0.11 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 33.50 1gaw n LYS 67 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1gaw s ILE 68 N -2.07 1.95 -1.02 -0.18 1.01 -1.26 -5.03 121.20 114.60 1gaw s ILE 68 Ca 0.41 -3.14 -0.17 0.00 0.00 0.00 0.00 60.65 57.75 1gaw s ILE 68 Cb 0.21 -2.34 -0.09 0.00 0.01 0.00 0.00 42.46 40.26 1gaw s ILE 68 CO 0.37 -0.92 2.08 -0.81 0.00 0.00 0.00 174.94 175.66 1gaw n PRO 69 N 3.03 2.05 -1.96 2.79 -0.04 -1.26 -4.95 135.00 134.66 1gaw n PRO 69 Ca 0.12 -2.02 -0.30 0.00 -0.04 0.00 0.00 63.50 61.26 1gaw n PRO 69 Cb 0.35 -2.95 0.02 0.00 -0.04 0.00 0.00 33.50 30.88 1gaw n PRO 69 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1gaw s TYR 70 N 4.17 3.48 0.24 0.54 -0.85 -1.26 -4.59 117.35 119.07 1gaw s TYR 70 Ca 0.53 1.12 0.11 0.00 -0.52 0.00 0.00 57.07 58.31 1gaw s TYR 70 Cb 0.14 -2.83 -0.05 0.00 0.38 0.00 0.00 41.96 39.60 1gaw s TYR 70 CO 0.03 -0.87 -0.21 0.50 -1.52 0.00 0.00 175.55 173.49 1gaw s ARG 71 N -5.21 1.56 0.22 -3.49 6.06 -1.26 -4.71 118.95 112.12 1gaw s ARG 71 Ca 0.56 -1.65 -0.32 0.00 -2.50 0.00 0.00 55.73 51.83 1gaw s ARG 71 Cb -0.11 -1.69 -0.14 0.00 0.06 0.00 0.00 34.95 33.06 1gaw s ARG 71 CO 0.52 0.33 1.26 0.39 -2.50 0.00 0.00 175.30 175.31 1gaw n GLU 72 N -0.24 1.60 0.00 5.12 4.71 -1.26 -2.29 120.64 128.27 1gaw n GLU 72 Ca -0.08 0.57 0.00 0.00 -0.01 0.00 0.00 57.16 57.63 1gaw n GLU 72 Cb 0.59 -2.13 0.00 0.00 -1.01 0.00 0.00 31.44 28.89 1gaw n GLU 72 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1gaw n GLY 73 N 1.98 2.04 3.94 0.62 0.00 -1.26 -4.24 105.19 108.26 1gaw n GLY 73 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1gaw n GLY 73 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gaw s GLN 74 N -0.88 1.29 0.24 1.61 -0.21 -0.97 -4.39 119.66 116.35 1gaw s GLN 74 Ca 0.00 -0.50 0.05 0.00 0.02 0.00 0.00 55.36 54.92 1gaw s GLN 74 Cb 0.00 -2.03 -0.05 0.00 1.00 0.00 0.00 33.01 31.93 1gaw s GLN 74 CO 0.00 -1.90 -0.03 -1.12 -2.12 0.00 0.00 175.29 170.12 1gaw s SER 75 N -4.76 2.13 0.14 5.90 0.01 0.21 -1.53 113.70 115.80 1gaw s SER 75 Ca 0.69 -1.20 0.06 0.00 1.31 0.00 0.00 55.95 56.81 1gaw s SER 75 Cb -0.06 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.08 1gaw s SER 75 CO 0.49 -0.45 -0.14 0.27 0.41 0.00 0.00 173.24 173.82 1gaw s ILE 76 N -3.28 1.40 0.09 1.44 -4.36 -0.69 0.26 121.20 116.06 1gaw s ILE 76 Ca 0.28 -1.87 0.01 0.00 -0.26 0.00 0.00 60.65 58.81 1gaw s ILE 76 Cb 0.05 -1.69 -0.04 0.00 1.25 0.00 0.00 42.46 42.03 1gaw s ILE 76 CO 0.09 -0.49 0.22 -0.83 0.24 0.00 0.00 174.94 174.17 1gaw s GLY 77 N -2.73 2.03 -0.06 6.27 0.00 0.07 -1.15 107.32 111.76 1gaw s GLY 77 Ca 0.13 -0.91 0.03 0.00 0.00 0.00 0.00 44.72 43.96 1gaw s GLY 77 CO 0.03 -0.90 -0.14 0.14 0.00 0.00 0.00 173.10 172.23 1gaw s VAL 78 N -1.57 1.25 -0.39 1.40 1.01 0.13 -1.39 120.40 120.84 1gaw s VAL 78 Ca 0.34 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 1gaw s VAL 78 Cb -0.12 -1.12 0.06 0.00 0.00 0.00 0.00 36.38 35.20 1gaw s VAL 78 CO 0.28 0.38 0.20 -0.63 0.00 0.00 0.00 175.10 175.33 1gaw s ILE 79 N 0.45 4.18 0.52 2.22 1.01 -0.77 -2.24 121.20 126.57 1gaw s ILE 79 Ca -0.12 -1.21 -0.22 0.00 0.00 0.00 0.00 60.65 59.11 1gaw s ILE 79 Cb -0.14 -3.46 -0.06 0.00 0.01 0.00 0.00 42.46 38.81 1gaw s ILE 79 CO 0.04 -0.36 1.24 0.00 0.00 0.00 0.00 174.94 175.85 1gaw s ALA 80 N 1.45 2.82 0.78 9.38 0.00 -1.26 -4.25 121.76 130.68 1gaw s ALA 80 Ca 0.02 1.08 -0.13 0.00 0.00 0.00 0.00 51.96 52.93 1gaw s ALA 80 Cb -0.21 -3.46 0.07 0.00 0.00 0.00 0.00 23.12 19.52 1gaw s ALA 80 CO 0.03 -1.00 1.15 -0.51 0.00 0.00 0.00 175.76 175.43 1gaw s ASP 81 N -1.29 4.00 0.00 0.00 1.01 -1.26 -4.48 116.67 114.65 1gaw s ASP 81 Ca 0.69 2.15 0.00 0.00 0.71 0.00 0.00 52.55 56.10 1gaw s ASP 81 Cb -0.33 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.04 1gaw s ASP 81 CO 0.38 -2.39 0.00 0.61 0.21 0.00 0.00 175.17 173.99 1gaw n GLY 82 N -0.12 1.06 3.21 0.21 0.00 -1.26 -4.95 105.19 103.34 1gaw n GLY 82 Ca 0.12 -2.14 -0.14 0.00 0.00 0.00 0.00 46.02 43.85 1gaw n GLY 82 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1gaw s VAL 83 N -1.39 1.03 0.00 1.61 -7.23 -1.26 -4.16 120.40 109.00 1gaw s VAL 83 Ca 0.00 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 1gaw s VAL 83 Cb 0.00 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.34 1gaw s VAL 83 CO 0.00 -0.66 0.00 -0.90 -0.31 0.00 0.00 175.10 173.23 1gaw n ASP 84 N 0.19 0.00 -0.14 4.85 3.85 0.12 -4.88 116.55 120.53 1gaw n ASP 84 Ca -0.13 -0.51 -0.02 0.00 -0.71 0.00 0.00 54.79 53.42 1gaw n ASP 84 Cb 0.59 0.00 0.22 0.00 -1.35 0.00 0.00 41.12 40.58 1gaw n ASP 84 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 1gaw h LYS 85 N 0.00 0.84 -0.49 0.11 2.10 -1.99 -2.60 116.57 114.55 1gaw h LYS 85 Ca 0.00 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1gaw h LYS 85 Cb 0.00 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.18 1gaw h LYS 85 CO 0.00 0.70 0.00 0.09 -2.00 0.00 0.00 179.45 178.24 1gaw n ASN 86 N -4.32 1.60 -0.40 7.07 5.03 -1.26 -4.85 115.26 118.12 1gaw n ASN 86 Ca 0.05 -2.11 -0.05 0.00 0.87 0.00 0.00 54.58 53.34 1gaw n ASN 86 Cb 0.17 -0.31 -0.02 0.00 -1.02 0.00 0.00 39.78 38.60 1gaw n ASN 86 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1gaw n GLY 87 N 0.55 0.75 3.93 7.41 0.00 -0.98 -5.01 105.19 111.84 1gaw n GLY 87 Ca 0.07 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 1gaw n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gaw s LYS 88 N -1.98 3.49 0.86 1.61 1.02 -1.26 -4.78 119.74 118.69 1gaw s LYS 88 Ca 0.00 -0.41 -0.11 0.00 0.02 0.00 0.00 55.97 55.47 1gaw s LYS 88 Cb 0.00 -2.91 0.11 0.00 -0.52 0.00 0.00 37.83 34.51 1gaw s LYS 88 CO 0.00 0.48 1.14 -2.14 -0.92 0.00 0.00 175.35 173.92 1gaw s PRO 89 N -3.08 1.45 0.43 -1.68 0.02 -1.26 0.13 135.00 131.01 1gaw s PRO 89 Ca 0.37 1.50 -0.23 0.00 0.02 0.00 0.00 61.00 62.66 1gaw s PRO 89 Cb -0.11 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 32.54 1gaw s PRO 89 CO 0.28 -2.30 1.08 -1.01 -0.33 0.00 0.00 177.00 174.72 1gaw s HIS 90 N -2.60 3.09 0.69 6.54 3.76 -1.26 -4.65 115.29 120.86 1gaw s HIS 90 Ca 0.67 1.60 -0.16 0.00 -0.15 0.00 0.00 55.06 57.02 1gaw s HIS 90 Cb -0.23 -3.19 0.02 0.00 1.11 0.00 0.00 32.58 30.29 1gaw s HIS 90 CO 0.56 -0.94 1.18 0.21 -0.85 0.00 0.00 174.74 174.90 1gaw s LYS 91 N -2.70 2.45 0.34 1.40 2.47 -1.26 -4.76 119.74 117.68 1gaw s LYS 91 Ca 0.61 1.67 -0.28 0.00 -1.56 0.00 0.00 55.97 56.42 1gaw s LYS 91 Cb -0.23 -1.88 -0.10 0.00 -1.46 0.00 0.00 37.83 34.16 1gaw s LYS 91 CO 0.28 -1.58 1.23 0.08 0.16 0.00 0.00 175.35 175.53 1gaw s VAL 92 N -2.01 2.97 -0.08 4.02 1.01 -1.26 -4.72 120.40 120.32 1gaw s VAL 92 Ca 0.73 0.94 0.05 0.00 0.00 0.00 0.00 61.98 63.69 1gaw s VAL 92 Cb -0.27 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1gaw s VAL 92 CO 0.42 0.20 -0.23 -0.13 0.00 0.00 0.00 175.10 175.36 1gaw s ARG 93 N -1.83 2.82 0.11 2.72 3.00 -0.95 -4.93 118.95 119.89 1gaw s ARG 93 Ca 0.50 -0.87 -0.13 0.00 0.00 0.00 0.00 55.73 55.24 1gaw s ARG 93 Cb -0.36 -2.27 -0.06 0.00 0.00 0.00 0.00 34.95 32.26 1gaw s ARG 93 CO 0.47 0.30 0.49 -0.51 0.00 0.00 0.00 175.30 176.04 1gaw s LEU 94 N 0.06 4.35 -0.03 2.53 1.43 -1.26 -0.70 118.68 125.06 1gaw s LEU 94 Ca -0.10 0.96 -0.01 0.00 -1.03 0.00 0.00 54.13 53.96 1gaw s LEU 94 Cb -0.15 -3.12 0.03 0.00 0.03 0.00 0.00 46.19 42.97 1gaw s LEU 94 CO 0.06 0.14 0.05 -0.31 0.23 0.00 0.00 176.35 176.52 1gaw s TYR 95 N -1.42 0.04 0.32 0.29 2.02 -0.30 -4.98 117.35 113.32 1gaw s TYR 95 Ca 0.35 0.20 -0.29 0.00 -0.37 0.00 0.00 57.07 56.96 1gaw s TYR 95 Cb -0.15 -0.34 -0.11 0.00 -0.40 0.00 0.00 41.96 40.96 1gaw s TYR 95 CO 0.18 -0.14 1.52 -1.12 -1.57 0.00 0.00 175.55 174.42 1gaw s SER 96 N 1.57 6.43 -0.02 2.29 0.01 -1.26 -1.71 113.70 121.02 1gaw s SER 96 Ca -0.03 2.93 -0.30 0.00 1.31 0.00 0.00 55.95 59.86 1gaw s SER 96 Cb -0.13 -2.65 -0.05 0.00 0.21 0.00 0.00 66.02 63.41 1gaw s SER 96 CO -0.03 -0.84 1.34 -0.63 0.41 0.00 0.00 173.24 173.49 1gaw s ILE 97 N -0.45 3.87 -2.66 1.44 1.01 -0.59 -4.52 121.20 119.31 1gaw s ILE 97 Ca 0.58 1.24 0.26 0.00 0.00 0.00 0.00 60.65 62.73 1gaw s ILE 97 Cb -0.46 -3.79 0.36 0.00 0.01 0.00 0.00 42.46 38.58 1gaw s ILE 97 CO 0.53 -0.00 1.51 0.00 0.00 0.00 0.00 174.94 176.97 1gaw n ALA 98 N 5.34 2.59 -2.69 9.38 0.00 0.12 -3.89 120.51 131.36 1gaw n ALA 98 Ca 0.12 -0.55 -0.23 0.00 0.00 0.00 0.00 53.44 52.78 1gaw n ALA 98 Cb 0.44 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 1gaw n ALA 98 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1gaw s SER 99 N -2.04 4.81 0.93 0.00 1.04 -1.24 -3.67 113.70 113.52 1gaw s SER 99 Ca 0.32 -0.51 -0.14 0.00 0.48 0.00 0.00 55.95 56.11 1gaw s SER 99 Cb 0.20 -1.01 0.15 0.00 0.10 0.00 0.00 66.02 65.47 1gaw s SER 99 CO 0.34 0.01 1.19 -0.94 0.98 0.00 0.00 173.24 174.82 1gaw s SER 100 N -3.58 3.37 0.43 7.02 1.04 -1.26 -4.60 113.70 116.12 1gaw s SER 100 Ca 0.31 0.71 0.10 0.00 0.48 0.00 0.00 55.95 57.55 1gaw s SER 100 Cb -0.07 -1.10 0.95 0.00 0.10 0.00 0.00 66.02 65.90 1gaw s SER 100 CO 0.21 -2.61 2.06 0.00 0.98 0.00 0.00 173.24 173.88 1gaw h ALA 101 N -1.54 1.81 -0.03 5.32 0.00 -1.87 -1.31 119.26 121.63 1gaw h ALA 101 Ca -0.47 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 1gaw h ALA 101 Cb 1.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1gaw h ALA 101 CO 0.54 0.15 -0.71 0.82 0.00 0.00 0.00 179.25 180.05 1gaw h ILE 102 N 0.44 1.45 0.00 0.00 1.08 -1.93 -3.41 117.51 115.15 1gaw h ILE 102 Ca 0.15 -2.29 0.00 0.00 -0.39 0.00 0.00 64.86 62.33 1gaw h ILE 102 Cb 0.05 2.23 0.00 0.00 -3.07 0.00 0.00 36.82 36.03 1gaw h ILE 102 CO -0.03 0.67 0.00 0.61 -0.69 0.00 0.00 178.15 178.70 1gaw n GLY 103 N 0.51 0.23 0.30 5.37 0.00 -0.50 -0.28 105.19 110.82 1gaw n GLY 103 Ca -0.02 -1.73 0.17 0.00 0.00 0.00 0.00 46.02 44.43 1gaw n GLY 103 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1gaw h ASP 104 N 0.00 0.00 -0.02 1.61 3.32 -1.90 -0.94 116.42 118.49 1gaw h ASP 104 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1gaw h ASP 104 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1gaw h ASP 104 CO 0.00 0.04 -0.03 0.49 -1.72 0.00 0.00 179.24 178.02 1gaw n PHE 105 N -3.42 0.00 -1.84 4.55 3.01 -1.26 -4.97 117.46 113.53 1gaw n PHE 105 Ca -0.02 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.23 1gaw n PHE 105 Cb 0.17 -0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.57 1gaw n PHE 105 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gaw n GLY 106 N 1.30 1.24 0.03 1.37 0.00 -0.36 -4.86 105.19 103.91 1gaw n GLY 106 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1gaw n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gaw n ASP 107 N -1.54 1.91 -2.02 1.61 5.75 -1.11 -4.95 116.55 116.19 1gaw n ASP 107 Ca -0.22 -1.87 -0.18 0.00 -0.01 0.00 0.00 54.79 52.51 1gaw n ASP 107 Cb 0.68 -0.01 -0.04 0.00 -1.03 0.00 0.00 41.12 40.73 1gaw n ASP 107 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1gaw n SER 108 N -0.39 -5.13 -0.05 -1.12 7.64 0.62 -4.84 113.62 110.34 1gaw n SER 108 Ca 0.00 0.23 0.04 0.00 1.01 0.00 0.00 58.87 60.16 1gaw n SER 108 Cb 0.22 -4.41 0.06 0.00 -1.01 0.00 0.00 64.21 59.07 1gaw n SER 108 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1gaw n LYS 109 N -2.62 2.00 -4.19 1.43 4.76 -1.26 -4.04 118.16 114.24 1gaw n LYS 109 Ca -0.20 -1.88 -0.14 0.00 -2.87 0.00 0.00 58.31 53.22 1gaw n LYS 109 Cb 0.64 -1.16 -0.09 0.00 -1.84 0.00 0.00 35.03 32.58 1gaw n LYS 109 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1gaw s THR 110 N -1.69 0.00 -0.11 -0.18 -4.23 -1.26 -1.14 115.64 107.03 1gaw s THR 110 Ca 0.13 -1.91 -0.09 0.00 -1.18 0.00 0.00 61.69 58.64 1gaw s THR 110 Cb 0.12 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.51 1gaw s THR 110 CO 0.01 0.00 0.28 0.54 -0.54 0.00 0.00 174.62 174.91 1gaw s VAL 111 N -3.90 -0.01 0.06 2.29 0.11 -0.62 -4.72 120.40 113.61 1gaw s VAL 111 Ca 0.37 0.02 0.08 0.00 -2.93 0.00 0.00 61.98 59.52 1gaw s VAL 111 Cb 0.05 -0.40 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 1gaw s VAL 111 CO 0.16 0.01 -0.18 -0.44 -3.33 0.00 0.00 175.10 171.32 1gaw s SER 112 N 0.34 3.80 0.10 3.54 0.01 -1.26 -0.50 113.70 119.74 1gaw s SER 112 Ca -0.02 -0.47 0.08 0.00 1.31 0.00 0.00 55.95 56.85 1gaw s SER 112 Cb -0.03 -0.58 -0.03 0.00 0.21 0.00 0.00 66.02 65.58 1gaw s SER 112 CO -0.01 0.23 -0.19 -0.76 0.41 0.00 0.00 173.24 172.92 1gaw s LEU 113 N -1.64 2.32 -0.33 2.44 1.43 -0.19 -0.71 118.68 122.01 1gaw s LEU 113 Ca 0.15 -0.70 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 1gaw s LEU 113 Cb -0.10 -0.79 0.08 0.00 0.03 0.00 0.00 46.19 45.41 1gaw s LEU 113 CO 0.07 0.01 0.03 0.00 0.23 0.00 0.00 176.35 176.69 1gaw s VAL 115 N 1.08 2.59 -0.16 0.00 1.01 0.07 -4.93 120.40 120.06 1gaw s VAL 115 Ca 0.02 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 61.02 1gaw s VAL 115 Cb -0.20 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1gaw s VAL 115 CO -0.05 0.53 0.42 -0.75 0.00 0.00 0.00 175.10 175.25 1gaw s LYS 116 N 0.63 4.26 -0.24 2.72 2.20 -1.26 -0.39 119.74 127.66 1gaw s LYS 116 Ca -0.09 0.30 -0.29 0.00 -0.36 0.00 0.00 55.97 55.52 1gaw s LYS 116 Cb -0.16 -3.48 -0.02 0.00 -1.51 0.00 0.00 37.83 32.67 1gaw s LYS 116 CO 0.03 0.08 1.51 0.50 -0.36 0.00 0.00 175.35 177.11 1gaw s ARG 117 N 0.90 3.86 -0.32 4.03 3.52 -0.58 -4.84 118.95 125.53 1gaw s ARG 117 Ca 0.22 1.55 -0.26 0.00 -0.13 0.00 0.00 55.73 57.10 1gaw s ARG 117 Cb -0.15 -3.98 0.01 0.00 -1.56 0.00 0.00 34.95 29.28 1gaw s ARG 117 CO 0.08 -1.21 0.93 -1.17 -0.81 0.00 0.00 175.30 173.12 1gaw s LEU 118 N 4.85 4.02 -0.13 -0.88 2.96 -1.26 -4.82 118.68 123.41 1gaw s LEU 118 Ca 0.66 0.82 -0.09 0.00 -0.22 0.00 0.00 54.13 55.30 1gaw s LEU 118 Cb -0.22 -3.30 0.04 0.00 0.50 0.00 0.00 46.19 43.21 1gaw s LEU 118 CO 0.27 -0.76 0.32 -0.63 -1.32 0.00 0.00 176.35 174.23 1gaw s ILE 119 N 3.31 -0.02 0.18 6.68 1.01 -1.26 -1.36 121.20 129.74 1gaw s ILE 119 Ca 0.39 0.06 -0.21 0.00 0.00 0.00 0.00 60.65 60.89 1gaw s ILE 119 Cb -0.13 -0.47 0.05 0.00 0.01 0.00 0.00 42.46 41.92 1gaw s ILE 119 CO 0.14 0.02 0.57 -0.72 0.00 0.00 0.00 174.94 174.95 1gaw s TYR 120 N 0.73 -0.36 -0.15 3.97 1.13 -0.83 -5.00 117.35 116.84 1gaw s TYR 120 Ca -0.05 0.07 -0.03 0.00 -1.41 0.00 0.00 57.07 55.65 1gaw s TYR 120 Cb -0.06 0.50 -0.03 0.00 -1.10 0.00 0.00 41.96 41.27 1gaw s TYR 120 CO -0.05 -0.89 -0.04 0.99 -2.51 0.00 0.00 175.55 173.05 1gaw s THR 121 N -3.81 3.86 0.86 -3.49 2.01 -1.26 -0.59 115.64 113.22 1gaw s THR 121 Ca 0.04 -0.37 -0.10 0.00 0.31 0.00 0.00 61.69 61.57 1gaw s THR 121 Cb -0.01 -2.69 0.19 0.00 0.01 0.00 0.00 72.50 70.00 1gaw s THR 121 CO -0.08 0.50 1.17 -0.46 -0.69 0.00 0.00 174.62 175.06 1gaw n ASN 122 N 3.51 0.61 -0.43 3.53 0.23 -0.94 -4.92 115.26 116.83 1gaw n ASN 122 Ca -0.17 -1.74 0.00 0.00 -0.53 0.00 0.00 54.58 52.14 1gaw n ASN 122 Cb 0.52 -0.85 0.00 0.00 -2.08 0.00 0.00 39.78 37.38 1gaw n ASN 122 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1gaw n ASP 123 N -3.46 0.73 -0.32 0.53 5.68 -1.26 -1.77 116.55 116.68 1gaw n ASP 123 Ca 0.16 -1.69 0.04 0.00 -0.50 0.00 0.00 54.79 52.80 1gaw n ASP 123 Cb 0.57 -0.37 0.05 0.00 -1.14 0.00 0.00 41.12 40.24 1gaw n ASP 123 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1gaw n ALA 124 N 0.00 2.37 -0.97 2.12 0.00 -1.26 -4.97 120.51 117.80 1gaw n ALA 124 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1gaw n ALA 124 Cb 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.38 1gaw n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gaw n GLY 125 N 0.33 0.47 3.76 0.00 0.00 -0.73 -5.01 105.19 104.01 1gaw n GLY 125 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1gaw n GLY 125 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gaw s GLU 126 N -0.42 4.26 -0.02 1.61 2.02 -1.26 -4.86 118.70 120.03 1gaw s GLU 126 Ca 0.00 0.61 -0.26 0.00 0.02 0.00 0.00 54.97 55.34 1gaw s GLU 126 Cb 0.00 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 1gaw s GLU 126 CO 0.00 0.37 0.81 0.42 0.02 0.00 0.00 175.26 176.87 1gaw s ILE 127 N -0.12 4.93 -0.04 -1.63 1.01 -1.26 -2.23 121.20 121.85 1gaw s ILE 127 Ca 0.29 1.69 0.07 0.00 0.00 0.00 0.00 60.65 62.69 1gaw s ILE 127 Cb -0.17 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 38.13 1gaw s ILE 127 CO 0.15 0.24 -0.25 -0.69 0.00 0.00 0.00 174.94 174.39 1gaw s VAL 128 N 0.71 2.10 -0.07 2.92 1.01 0.24 -4.99 120.40 122.32 1gaw s VAL 128 Ca 0.43 -1.07 0.04 0.00 0.00 0.00 0.00 61.98 61.38 1gaw s VAL 128 Cb -0.19 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1gaw s VAL 128 CO 0.22 0.57 -0.20 -0.54 0.00 0.00 0.00 175.10 175.16 1gaw s LYS 129 N -0.35 2.40 0.27 2.72 1.02 -1.26 -1.97 119.74 122.57 1gaw s LYS 129 Ca 0.02 -0.73 -0.30 0.00 0.02 0.00 0.00 55.97 54.99 1gaw s LYS 129 Cb -0.12 -1.92 -0.10 0.00 -0.52 0.00 0.00 37.83 35.16 1gaw s LYS 129 CO 0.02 0.20 1.42 0.20 -0.92 0.00 0.00 175.35 176.26 1gaw s GLY 130 N 0.26 2.50 0.05 -3.33 0.00 -0.47 -4.96 107.32 101.38 1gaw s GLY 130 Ca -0.12 1.33 -0.34 0.00 0.00 0.00 0.00 44.72 45.59 1gaw s GLY 130 CO 0.05 2.21 1.51 -2.08 0.00 0.00 0.00 173.10 174.79 1gaw h VAL 131 N 3.40 0.00 -0.22 1.40 2.07 -1.99 -2.99 116.25 117.92 1gaw h VAL 131 Ca -0.47 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 66.85 1gaw h VAL 131 Cb 1.22 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1gaw h VAL 131 CO 0.74 0.00 -0.66 0.00 0.02 0.00 0.00 177.57 177.68 1gaw h SER 133 N 0.60 0.99 0.38 0.00 4.64 -1.89 -0.81 113.55 117.45 1gaw h SER 133 Ca -0.02 -0.19 -0.15 0.00 -0.47 0.00 0.00 61.79 60.96 1gaw h SER 133 Cb 1.28 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1gaw h SER 133 CO 0.14 0.94 -0.63 0.78 -0.87 0.00 0.00 176.83 177.19 1gaw h ASN 134 N 1.00 0.27 -0.17 4.97 2.35 -1.59 -1.67 115.58 120.75 1gaw h ASN 134 Ca 0.21 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1gaw h ASN 134 Cb 0.33 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1gaw h ASN 134 CO -0.00 0.83 0.07 0.15 -1.65 0.00 0.00 177.43 176.83 1gaw h PHE 135 N 0.17 0.27 -0.31 1.19 3.57 -1.01 -2.03 116.94 118.78 1gaw h PHE 135 Ca -0.01 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 1gaw h PHE 135 Cb 1.15 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1gaw h PHE 135 CO 0.02 0.33 0.07 -0.07 -2.23 0.00 0.00 178.31 176.43 1gaw h LEU 136 N 0.13 0.48 -1.79 0.59 3.38 -1.09 -2.92 115.31 114.08 1gaw h LEU 136 Ca 0.06 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1gaw h LEU 136 Cb 0.18 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1gaw h LEU 136 CO -0.00 0.60 -0.02 0.00 0.09 0.00 0.00 178.44 179.10 1gaw n ASP 138 N -3.14 1.42 -4.77 0.00 8.00 -0.77 -4.94 116.55 112.34 1gaw n ASP 138 Ca -0.00 -1.24 -0.40 0.00 0.71 0.00 0.00 54.79 53.86 1gaw n ASP 138 Cb 0.26 0.11 0.01 0.00 -0.02 0.00 0.00 41.12 41.48 1gaw n ASP 138 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1gaw s LEU 139 N -2.29 4.20 0.10 0.64 1.43 -0.86 -5.02 118.68 116.88 1gaw s LEU 139 Ca 0.29 3.00 0.08 0.00 -1.03 0.00 0.00 54.13 56.46 1gaw s LEU 139 Cb 0.20 -3.82 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 1gaw s LEU 139 CO 0.44 -1.07 -0.15 -1.10 0.23 0.00 0.00 176.35 174.71 1gaw s GLN 140 N -2.31 1.99 0.23 1.70 -1.52 -1.26 -4.87 119.66 113.61 1gaw s GLN 140 Ca 0.58 -1.07 -0.32 0.00 -1.95 0.00 0.00 55.36 52.60 1gaw s GLN 140 Cb -0.45 -2.21 -0.14 0.00 -0.22 0.00 0.00 33.01 29.99 1gaw s GLN 140 CO 0.60 0.50 1.41 -2.30 -0.25 0.00 0.00 175.29 175.25 1gaw n PRO 141 N 0.91 1.98 0.00 2.91 -0.02 -1.26 -1.21 135.00 138.31 1gaw n PRO 141 Ca -0.15 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1gaw n PRO 141 Cb 0.52 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1gaw n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gaw n GLY 142 N 2.27 2.78 3.77 -1.23 0.00 0.36 -4.99 105.19 108.15 1gaw n GLY 142 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1gaw n GLY 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gaw s ASP 143 N -0.69 5.89 0.30 1.61 1.01 -0.35 -4.71 116.67 119.72 1gaw s ASP 143 Ca 0.00 2.24 -0.12 0.00 0.71 0.00 0.00 52.55 55.38 1gaw s ASP 143 Cb 0.00 -2.59 -0.08 0.00 1.01 0.00 0.00 42.92 41.26 1gaw s ASP 143 CO 0.00 -1.11 0.67 0.20 0.21 0.00 0.00 175.17 175.14 1gaw s ASN 144 N -1.60 6.68 -0.02 0.27 0.02 -1.26 -0.72 114.94 118.31 1gaw s ASN 144 Ca 0.69 1.12 -0.00 0.00 -1.02 0.00 0.00 52.86 53.65 1gaw s ASN 144 Cb -0.26 -2.31 0.02 0.00 0.02 0.00 0.00 41.25 38.73 1gaw s ASN 144 CO 0.30 -0.18 0.04 -0.69 0.02 0.00 0.00 177.10 176.59 1gaw s VAL 145 N -1.98 -0.04 -0.29 1.60 1.01 -0.62 -4.90 120.40 115.17 1gaw s VAL 145 Ca 0.51 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.44 1gaw s VAL 145 Cb -0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 1gaw s VAL 145 CO 0.21 0.07 0.70 -1.10 0.00 0.00 0.00 175.10 174.98 1gaw s GLN 146 N 0.83 4.00 0.05 2.72 -0.21 -1.26 -0.63 119.66 125.16 1gaw s GLN 146 Ca -0.07 0.51 0.07 0.00 0.02 0.00 0.00 55.36 55.90 1gaw s GLN 146 Cb -0.10 -3.70 -0.03 0.00 1.00 0.00 0.00 33.01 30.18 1gaw s GLN 146 CO -0.03 -0.57 -0.19 0.42 -2.12 0.00 0.00 175.29 172.81 1gaw s ILE 147 N 2.73 2.75 0.16 1.08 1.01 0.84 -1.85 121.20 127.92 1gaw s ILE 147 Ca 0.29 -1.24 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1gaw s ILE 147 Cb -0.15 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.11 1gaw s ILE 147 CO 0.11 0.31 -0.06 0.42 0.00 0.00 0.00 174.94 175.72 1gaw s THR 148 N -0.95 1.01 0.00 2.92 -4.23 -0.48 -0.42 115.64 113.49 1gaw s THR 148 Ca 0.15 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 1gaw s THR 148 Cb -0.10 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.75 1gaw s THR 148 CO 0.06 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 1gaw n GLY 149 N -0.24 0.19 3.67 3.99 0.00 0.45 -0.75 105.19 112.50 1gaw n GLY 149 Ca -0.09 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.69 1gaw n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gaw s PRO 150 N 0.00 0.71 0.01 1.61 0.04 -1.26 -0.73 135.00 135.38 1gaw s PRO 150 Ca 0.00 0.84 0.03 0.00 0.04 0.00 0.00 61.00 61.91 1gaw s PRO 150 Cb 0.00 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.78 1gaw s PRO 150 CO 0.00 -2.62 -0.10 0.08 0.04 0.00 0.00 177.00 174.39 1gaw s VAL 151 N -2.83 0.80 0.00 -0.36 1.01 0.14 -0.08 120.40 119.08 1gaw s VAL 151 Ca 0.65 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1gaw s VAL 151 Cb -0.20 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.46 1gaw s VAL 151 CO 0.58 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1gaw n GLY 152 N 2.35 1.99 0.00 4.51 0.00 -1.26 -0.62 105.19 112.16 1gaw n GLY 152 Ca -0.16 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1gaw n GLY 152 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gaw n LYS 153 N 1.90 3.23 -0.10 1.61 4.76 -1.26 -4.75 118.16 123.56 1gaw n LYS 153 Ca 0.00 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.37 1gaw n LYS 153 Cb 0.00 -0.49 0.01 0.00 -1.84 0.00 0.00 35.03 32.70 1gaw n LYS 153 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1gaw h GLU 154 N 0.00 0.29 -0.76 1.97 4.57 -1.95 -3.12 114.58 115.57 1gaw h GLU 154 Ca 0.00 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 1gaw h GLU 154 Cb 0.00 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 1gaw h GLU 154 CO 0.00 0.19 0.06 -1.33 -1.18 0.00 0.00 179.01 176.75 1gaw n MET 155 N -4.99 3.32 -2.13 1.92 2.81 -1.26 -4.85 117.12 111.93 1gaw n MET 155 Ca 0.01 -2.04 -0.37 0.00 -1.81 0.00 0.00 57.70 53.49 1gaw n MET 155 Cb 0.11 -1.97 0.01 0.00 -0.71 0.00 0.00 33.22 30.65 1gaw n MET 155 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1gaw s LEU 156 N -1.84 3.92 0.66 4.03 1.43 -1.18 -4.30 118.68 121.41 1gaw s LEU 156 Ca 0.36 2.40 -0.15 0.00 -1.03 0.00 0.00 54.13 55.71 1gaw s LEU 156 Cb 0.28 -4.31 0.00 0.00 0.03 0.00 0.00 46.19 42.19 1gaw s LEU 156 CO 0.10 -1.14 1.12 -0.04 0.23 0.00 0.00 176.35 176.62 1gaw s MET 157 N -2.85 2.73 0.54 1.70 -1.94 -1.26 -4.72 119.30 113.50 1gaw s MET 157 Ca 0.67 1.44 -0.19 0.00 -1.71 0.00 0.00 55.69 55.90 1gaw s MET 157 Cb -0.31 -1.94 -0.06 0.00 2.01 0.00 0.00 34.83 34.53 1gaw s MET 157 CO 0.37 -1.31 1.10 -2.14 -0.01 0.00 0.00 175.02 173.03 1gaw s PRO 158 N -4.05 3.42 0.20 2.03 0.02 -1.26 -0.54 135.00 134.82 1gaw s PRO 158 Ca 0.68 1.51 -0.01 0.00 0.02 0.00 0.00 61.00 63.20 1gaw s PRO 158 Cb -0.22 -2.02 0.15 0.00 0.02 0.00 0.00 34.50 32.43 1gaw s PRO 158 CO 0.42 -0.77 1.52 0.87 -0.33 0.00 0.00 177.00 178.70 1gaw h LYS 159 N 1.15 0.47 -5.91 5.54 1.57 -1.46 -3.43 116.57 114.51 1gaw h LYS 159 Ca -0.49 -0.30 -0.56 0.00 -1.87 0.00 0.00 60.65 57.42 1gaw h LYS 159 Cb 1.25 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1gaw h LYS 159 CO 0.57 0.91 1.52 0.34 -0.57 0.00 0.00 179.45 182.22 1gaw s ASP 160 N -6.92 5.23 0.05 0.86 -1.08 -1.26 -4.85 116.67 108.70 1gaw s ASP 160 Ca -0.06 1.71 0.13 0.00 -0.52 0.00 0.00 52.55 53.81 1gaw s ASP 160 Cb 0.11 -2.51 0.58 0.00 -1.46 0.00 0.00 42.92 39.65 1gaw s ASP 160 CO 0.83 -2.16 1.42 -0.81 0.52 0.00 0.00 175.17 174.97 1gaw n PRO 161 N 8.82 0.03 -0.28 4.34 -0.04 -1.26 -2.14 135.00 144.47 1gaw n PRO 161 Ca 0.31 0.33 0.08 0.00 -0.04 0.00 0.00 63.50 64.18 1gaw n PRO 161 Cb 0.47 -1.57 0.18 0.00 -0.04 0.00 0.00 33.50 32.55 1gaw n PRO 161 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1gaw n ASN 162 N -1.62 2.60 -4.77 3.54 5.03 -1.26 -1.06 115.26 117.71 1gaw n ASN 162 Ca 0.03 -3.25 -0.30 0.00 0.87 0.00 0.00 54.58 51.93 1gaw n ASN 162 Cb 0.14 -0.49 0.10 0.00 -1.02 0.00 0.00 39.78 38.52 1gaw n ASN 162 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1gaw s ALA 163 N -2.95 2.12 -0.34 5.41 0.00 -0.91 -4.37 121.76 120.72 1gaw s ALA 163 Ca 0.36 -0.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.19 1gaw s ALA 163 Cb 0.32 -3.18 -0.00 0.00 0.00 0.00 0.00 23.12 20.26 1gaw s ALA 163 CO 0.03 -1.83 0.20 0.99 0.00 0.00 0.00 175.76 175.14 1gaw s THR 164 N -3.02 4.89 -0.30 0.00 2.01 0.68 -1.83 115.64 118.07 1gaw s THR 164 Ca 0.61 -0.41 -0.05 0.00 0.31 0.00 0.00 61.69 62.14 1gaw s THR 164 Cb -0.16 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.83 1gaw s THR 164 CO 0.55 -0.02 0.06 -0.63 -0.69 0.00 0.00 174.62 173.89 1gaw s ILE 165 N 1.65 3.66 -0.29 1.82 1.01 0.93 -0.10 121.20 129.88 1gaw s ILE 165 Ca 0.05 -0.90 -0.10 0.00 0.00 0.00 0.00 60.65 59.69 1gaw s ILE 165 Cb -0.18 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1gaw s ILE 165 CO 0.08 0.03 0.17 -0.63 0.00 0.00 0.00 174.94 174.59 1gaw s ILE 166 N 1.43 5.05 -0.24 2.92 1.01 0.11 -0.97 121.20 130.51 1gaw s ILE 166 Ca 0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.59 1gaw s ILE 166 Cb -0.18 -3.45 -0.00 0.00 0.01 0.00 0.00 42.46 38.84 1gaw s ILE 166 CO 0.01 0.21 -0.00 -0.04 0.00 0.00 0.00 174.94 175.11 1gaw s MET 167 N 1.71 3.31 -0.26 2.79 -1.94 -0.05 -0.87 119.30 123.99 1gaw s MET 167 Ca 0.06 -0.68 -0.05 0.00 -1.71 0.00 0.00 55.69 53.31 1gaw s MET 167 Cb -0.16 -3.13 0.00 0.00 2.01 0.00 0.00 34.83 33.55 1gaw s MET 167 CO 0.09 -0.26 0.03 -0.51 -0.01 0.00 0.00 175.02 174.36 1gaw s LEU 168 N 1.49 3.47 0.04 -0.03 2.01 0.37 -0.86 118.68 125.16 1gaw s LEU 168 Ca 0.05 -0.60 0.02 0.00 0.01 0.00 0.00 54.13 53.61 1gaw s LEU 168 Cb -0.15 -1.82 -0.02 0.00 0.01 0.00 0.00 46.19 44.21 1gaw s LEU 168 CO -0.01 -0.12 -0.08 0.00 1.01 0.00 0.00 176.35 177.15 1gaw s ALA 169 N 1.48 0.60 -0.03 4.21 0.00 -0.17 -1.14 121.76 126.71 1gaw s ALA 169 Ca 0.03 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.34 1gaw s ALA 169 Cb -0.16 0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.96 1gaw s ALA 169 CO 0.00 0.02 -0.12 0.95 0.00 0.00 0.00 175.76 176.61 1gaw s THR 170 N -1.13 1.01 0.00 0.00 -4.23 -1.02 -0.49 115.64 109.78 1gaw s THR 170 Ca -0.07 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 1gaw s THR 170 Cb -0.08 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.87 1gaw s THR 170 CO 0.00 0.31 0.00 0.61 -0.54 0.00 0.00 174.62 175.00 1gaw n GLY 171 N 3.26 2.88 0.00 3.99 0.00 -0.95 -1.02 105.19 113.34 1gaw n GLY 171 Ca -0.18 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 45.76 1gaw n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gaw n THR 172 N 0.00 0.84 0.34 2.61 -2.24 -1.26 -2.21 114.28 112.36 1gaw n THR 172 Ca 0.00 0.21 0.04 0.00 -2.27 0.00 0.00 64.05 62.03 1gaw n THR 172 Cb 0.00 -1.09 0.20 0.00 -2.10 0.00 0.00 70.33 67.34 1gaw n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gaw n GLY 173 N -0.66 -0.70 0.26 3.38 0.00 -0.18 -1.68 105.19 105.61 1gaw n GLY 173 Ca 0.04 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1gaw n GLY 173 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gaw h ILE 174 N 0.00 0.21 -0.35 -0.61 6.09 -1.63 -3.36 117.51 117.85 1gaw h ILE 174 Ca 0.00 -0.66 0.04 0.00 -1.37 0.00 0.00 64.86 62.88 1gaw h ILE 174 Cb 0.12 1.54 -0.07 0.00 0.47 0.00 0.00 36.82 38.87 1gaw h ILE 174 CO 0.00 0.07 -0.48 0.00 -3.07 0.00 0.00 178.15 174.67 1gaw h ALA 175 N 1.92 -0.72 -0.01 0.18 0.00 -1.60 -1.01 119.26 118.02 1gaw h ALA 175 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gaw h ALA 175 Cb 0.53 1.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 1gaw h ALA 175 CO 0.01 -0.96 0.01 -1.00 0.00 0.00 0.00 179.25 177.31 1gaw h PRO 176 N -0.35 0.00 0.00 0.00 0.13 -1.72 -2.24 132.00 127.83 1gaw h PRO 176 Ca 0.06 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.01 1gaw h PRO 176 Cb 0.52 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 1gaw h PRO 176 CO -0.52 0.00 -0.85 0.74 -0.23 0.00 0.00 178.00 177.15 1gaw h PHE 177 N 0.00 0.03 -0.48 1.56 0.04 -1.51 -1.57 116.94 115.01 1gaw h PHE 177 Ca 0.00 -0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 1gaw h PHE 177 Cb 0.02 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 1gaw h PHE 177 CO 0.00 0.85 0.03 -0.09 -0.60 0.00 0.00 178.31 178.50 1gaw h ARG 178 N 0.01 0.78 -0.31 1.51 2.43 -0.63 0.57 114.38 118.73 1gaw h ARG 178 Ca -0.01 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 58.94 1gaw h ARG 178 Cb 1.49 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.93 1gaw h ARG 178 CO 0.11 0.77 0.09 1.03 -1.51 0.00 0.00 179.97 180.47 1gaw h SER 179 N 0.73 0.46 0.69 -3.80 0.87 -1.21 -1.20 113.55 110.10 1gaw h SER 179 Ca 0.15 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 1gaw h SER 179 Cb 0.41 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1gaw h SER 179 CO 0.01 0.55 -0.40 -0.26 -0.53 0.00 0.00 176.83 176.20 1gaw h PHE 180 N 0.35 -1.06 -0.78 2.24 -1.00 -0.89 -3.08 116.94 112.71 1gaw h PHE 180 Ca 0.10 -0.01 0.07 0.00 2.81 0.00 0.00 57.97 60.94 1gaw h PHE 180 Cb 0.25 0.37 -0.05 0.00 3.61 0.00 0.00 35.95 40.14 1gaw h PHE 180 CO 0.01 -0.62 0.51 -0.07 -1.61 0.00 0.00 178.31 176.54 1gaw h LEU 181 N -1.02 0.71 -0.56 1.54 3.38 -0.86 -0.05 115.31 118.45 1gaw h LEU 181 Ca -0.09 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1gaw h LEU 181 Cb 0.82 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1gaw h LEU 181 CO 0.11 0.45 0.21 -0.50 0.09 0.00 0.00 178.44 178.80 1gaw h TRP 182 N 0.80 0.87 -0.27 1.13 4.06 -1.21 0.50 115.95 121.84 1gaw h TRP 182 Ca 0.35 -0.07 -0.14 0.00 2.06 0.00 0.00 58.89 61.09 1gaw h TRP 182 Cb 0.31 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.20 1gaw h TRP 182 CO -0.00 0.71 -0.39 -0.22 -3.56 0.00 0.00 178.44 174.98 1gaw h LYS 183 N 0.77 0.62 -0.10 0.49 3.64 -1.27 -0.87 116.57 119.85 1gaw h LYS 183 Ca 0.19 -0.31 -0.08 0.00 -1.27 0.00 0.00 60.65 59.18 1gaw h LYS 183 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1gaw h LYS 183 CO -0.01 0.91 -0.23 0.52 -2.27 0.00 0.00 179.45 178.37 1gaw h MET 184 N 0.51 0.34 0.00 1.90 2.86 -0.74 -3.38 114.93 116.42 1gaw h MET 184 Ca 0.05 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1gaw h MET 184 Cb 0.90 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.60 1gaw h MET 184 CO 0.08 0.83 -1.08 1.19 1.06 0.00 0.00 176.91 178.99 1gaw n PHE 185 N -4.49 0.00 1.01 -0.22 3.72 0.14 -4.63 117.46 112.99 1gaw n PHE 185 Ca -0.07 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.44 1gaw n PHE 185 Cb 0.43 -0.07 -0.02 0.00 -0.94 0.00 0.00 39.48 38.88 1gaw n PHE 185 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1gaw n PHE 186 N -1.57 0.00 -4.27 1.38 3.72 -0.38 -4.99 117.46 111.35 1gaw n PHE 186 Ca -0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 1gaw n PHE 186 Cb 0.08 -0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.50 1gaw n PHE 186 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1gaw s GLU 187 N -2.62 1.09 -0.30 -1.08 2.02 -0.92 -5.00 118.70 111.90 1gaw s GLU 187 Ca 0.16 -1.25 -0.10 0.00 0.02 0.00 0.00 54.97 53.80 1gaw s GLU 187 Cb 0.18 -1.09 -0.02 0.00 0.10 0.00 0.00 34.13 33.29 1gaw s GLU 187 CO 0.65 0.22 0.16 0.15 0.02 0.00 0.00 175.26 176.46 1gaw s LYS 188 N -2.51 3.57 -0.13 1.61 -0.14 -1.26 -4.85 119.74 116.03 1gaw s LYS 188 Ca 0.09 -0.57 0.02 0.00 -1.36 0.00 0.00 55.97 54.15 1gaw s LYS 188 Cb -0.06 -3.58 0.02 0.00 -1.68 0.00 0.00 37.83 32.52 1gaw s LYS 188 CO 0.04 -0.32 -0.16 -1.01 -0.76 0.00 0.00 175.35 173.13 1gaw s HIS 189 N 1.67 2.18 0.03 3.18 3.76 -1.26 -5.01 115.29 119.84 1gaw s HIS 189 Ca 0.06 -1.10 0.32 0.00 -0.15 0.00 0.00 55.06 54.19 1gaw s HIS 189 Cb -0.16 -1.56 1.23 0.00 1.11 0.00 0.00 32.58 33.20 1gaw s HIS 189 CO 0.08 -0.56 1.93 -0.44 -0.85 0.00 0.00 174.74 174.90 1gaw h ASP 190 N 7.56 0.00 -0.01 1.40 3.32 -2.03 -3.04 116.42 123.61 1gaw h ASP 190 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1gaw h ASP 190 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1gaw h ASP 190 CO 0.52 0.00 -0.44 -0.90 -1.72 0.00 0.00 179.24 176.69 1gaw n ASP 191 N -3.09 1.73 -3.53 6.45 5.75 -1.26 -4.86 116.55 117.75 1gaw n ASP 191 Ca 0.01 -1.37 -0.20 0.00 -0.01 0.00 0.00 54.79 53.23 1gaw n ASP 191 Cb 0.34 0.52 -0.14 0.00 -1.03 0.00 0.00 41.12 40.81 1gaw n ASP 191 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1gaw s TYR 192 N -2.22 -0.18 -0.37 2.11 5.04 -1.15 -5.09 117.35 115.48 1gaw s TYR 192 Ca 0.15 0.15 0.02 0.00 -2.44 0.00 0.00 57.07 54.96 1gaw s TYR 192 Cb 0.15 -0.41 0.11 0.00 0.35 0.00 0.00 41.96 42.16 1gaw s TYR 192 CO 0.51 -0.56 0.12 0.15 -1.34 0.00 0.00 175.55 174.43 1gaw s LYS 193 N 2.29 1.32 0.16 4.97 1.02 -1.26 -4.10 119.74 124.14 1gaw s LYS 193 Ca 0.06 -1.79 -0.31 0.00 0.02 0.00 0.00 55.97 53.94 1gaw s LYS 193 Cb -0.15 -2.77 -0.10 0.00 -0.52 0.00 0.00 37.83 34.29 1gaw s LYS 193 CO -0.11 -1.01 1.51 0.12 -0.92 0.00 0.00 175.35 174.94 1gaw s PHE 194 N 0.83 3.10 0.00 3.18 5.36 -1.26 -4.81 117.98 124.38 1gaw s PHE 194 Ca 0.13 0.74 0.14 0.00 -0.96 0.00 0.00 56.93 56.97 1gaw s PHE 194 Cb -0.20 -3.86 0.23 0.00 -0.34 0.00 0.00 43.02 38.85 1gaw s PHE 194 CO -0.10 -3.10 1.06 -1.71 -1.46 0.00 0.00 175.22 169.90 1gaw n ASN 195 N 3.82 0.32 -0.06 6.13 4.05 -0.22 -5.03 115.26 124.27 1gaw n ASN 195 Ca 0.13 -1.93 0.00 0.00 0.45 0.00 0.00 54.58 53.23 1gaw n ASN 195 Cb 0.40 -0.13 0.00 0.00 1.23 0.00 0.00 39.78 41.27 1gaw n ASN 195 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1gaw n GLY 196 N 0.27 1.86 3.04 8.20 0.00 -1.21 -4.82 105.19 112.53 1gaw n GLY 196 Ca -0.03 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 1gaw n GLY 196 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1gaw s LEU 197 N 0.00 1.69 -0.26 0.99 2.96 -0.76 -4.59 118.68 118.72 1gaw s LEU 197 Ca 0.00 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 53.41 1gaw s LEU 197 Cb 0.00 -1.11 -0.01 0.00 0.50 0.00 0.00 46.19 45.57 1gaw s LEU 197 CO 0.00 -0.01 0.04 -0.83 -1.32 0.00 0.00 176.35 174.23 1gaw s GLY 198 N 1.16 1.73 -0.24 7.98 0.00 0.17 -0.05 107.32 118.07 1gaw s GLY 198 Ca -0.03 -1.26 0.02 0.00 0.00 0.00 0.00 44.72 43.45 1gaw s GLY 198 CO -0.05 0.55 -0.11 0.86 0.00 0.00 0.00 173.10 174.35 1gaw s TRP 199 N 1.53 2.98 -0.15 1.90 -0.11 -0.14 -0.68 118.94 124.27 1gaw s TRP 199 Ca 0.05 -2.08 -0.06 0.00 1.22 0.00 0.00 56.10 55.23 1gaw s TRP 199 Cb -0.16 -1.84 -0.04 0.00 -1.50 0.00 0.00 33.47 29.94 1gaw s TRP 199 CO 0.01 -0.84 0.05 -1.17 -4.62 0.00 0.00 176.95 170.38 1gaw s LEU 200 N 1.20 3.78 -0.19 5.86 2.96 0.09 -0.87 118.68 131.51 1gaw s LEU 200 Ca -0.06 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 1gaw s LEU 200 Cb -0.19 -1.93 0.03 0.00 0.50 0.00 0.00 46.19 44.60 1gaw s LEU 200 CO -0.06 0.25 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.68 1gaw s PHE 201 N -0.08 2.75 -0.16 5.38 0.40 -0.04 -0.86 117.98 125.37 1gaw s PHE 201 Ca 0.06 -1.70 0.01 0.00 -0.60 0.00 0.00 56.93 54.70 1gaw s PHE 201 Cb -0.12 -1.86 0.02 0.00 0.51 0.00 0.00 43.02 41.57 1gaw s PHE 201 CO 0.01 -0.80 -0.19 -1.17 0.70 0.00 0.00 175.22 173.77 1gaw s LEU 202 N 1.29 2.04 -0.19 -0.37 2.96 -0.66 -1.00 118.68 122.75 1gaw s LEU 202 Ca 0.02 -0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 53.29 1gaw s LEU 202 Cb -0.14 -1.41 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 1gaw s LEU 202 CO -0.11 0.01 -0.04 -0.83 -1.32 0.00 0.00 176.35 174.06 1gaw s GLY 203 N 1.19 1.65 0.07 7.98 0.00 0.36 -1.09 107.32 117.48 1gaw s GLY 203 Ca 0.01 -1.01 -0.03 0.00 0.00 0.00 0.00 44.72 43.69 1gaw s GLY 203 CO -0.09 0.20 0.03 -1.34 0.00 0.00 0.00 173.10 171.90 1gaw s VAL 204 N 0.99 0.19 0.08 1.40 -7.23 -0.44 -2.25 120.40 113.14 1gaw s VAL 204 Ca 0.00 -1.68 -0.16 0.00 -1.81 0.00 0.00 61.98 58.33 1gaw s VAL 204 Cb -0.15 -1.55 -0.11 0.00 0.56 0.00 0.00 36.38 35.14 1gaw s VAL 204 CO 0.01 -0.85 1.38 1.55 -0.31 0.00 0.00 175.10 176.87 1gaw h PRO 205 N 3.02 0.63 -5.21 4.82 0.13 -1.93 -2.27 132.00 131.19 1gaw h PRO 205 Ca -0.34 -0.36 -0.37 0.00 -0.87 0.00 0.00 66.00 64.06 1gaw h PRO 205 Cb 1.16 0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 1gaw h PRO 205 CO 0.63 0.97 -0.70 0.95 -0.23 0.00 0.00 178.00 179.61 1gaw s THR 206 N -4.23 1.30 0.48 1.56 -4.23 -1.26 -1.65 115.64 107.60 1gaw s THR 206 Ca -0.13 -2.09 0.19 0.00 -1.18 0.00 0.00 61.69 58.48 1gaw s THR 206 Cb 0.08 -2.03 0.24 0.00 1.34 0.00 0.00 72.50 72.13 1gaw s THR 206 CO 0.82 -0.60 2.08 0.28 -0.54 0.00 0.00 174.62 176.65 1gaw h SER 207 N 2.64 0.00 0.02 3.99 0.02 -1.96 -0.38 113.55 117.88 1gaw h SER 207 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1gaw h SER 207 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1gaw h SER 207 CO 0.64 0.11 0.00 -1.54 -1.14 0.00 0.00 176.83 174.89 1gaw n SER 208 N -4.21 0.00 -0.59 3.07 3.41 -1.26 -2.31 113.62 111.73 1gaw n SER 208 Ca -0.03 -0.79 0.06 0.00 -0.26 0.00 0.00 58.87 57.85 1gaw n SER 208 Cb 0.19 -0.01 0.12 0.00 -0.26 0.00 0.00 64.21 64.25 1gaw n SER 208 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1gaw n SER 209 N -1.01 2.66 -4.57 4.04 7.64 -0.15 -0.79 113.62 121.44 1gaw n SER 209 Ca 0.19 -1.85 -0.31 0.00 1.01 0.00 0.00 58.87 57.92 1gaw n SER 209 Cb 0.09 -0.17 -0.05 0.00 -1.01 0.00 0.00 64.21 63.08 1gaw n SER 209 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1gaw s LEU 210 N -0.98 3.24 0.14 -3.43 2.96 -0.98 -4.94 118.68 114.69 1gaw s LEU 210 Ca 0.21 -1.32 -0.31 0.00 -0.22 0.00 0.00 54.13 52.48 1gaw s LEU 210 Cb 0.11 -2.57 -0.10 0.00 0.50 0.00 0.00 46.19 44.13 1gaw s LEU 210 CO 0.15 -2.54 1.64 -0.76 -1.32 0.00 0.00 176.35 173.52 1gaw s LEU 211 N 9.14 4.37 -1.96 -0.68 1.43 -1.26 -3.19 118.68 126.52 1gaw s LEU 211 Ca 0.65 2.64 0.00 0.00 -1.03 0.00 0.00 54.13 56.38 1gaw s LEU 211 Cb -0.03 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.61 1gaw s LEU 211 CO 0.04 -0.88 0.00 -1.22 0.23 0.00 0.00 176.35 174.52 1gaw n TYR 212 N 4.54 -0.54 -0.26 0.29 4.01 -1.26 -4.89 117.16 119.05 1gaw n TYR 212 Ca 0.15 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.94 1gaw n TYR 212 Cb 0.38 -3.69 0.19 0.00 -0.31 0.00 0.00 39.34 35.91 1gaw n TYR 212 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1gaw h LYS 213 N 0.00 0.50 -0.51 -0.72 3.64 -1.97 -1.00 116.57 116.51 1gaw h LYS 213 Ca -0.46 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1gaw h LYS 213 Cb 1.35 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 1gaw h LYS 213 CO 0.60 0.33 0.27 0.93 -2.27 0.00 0.00 179.45 179.31 1gaw h GLU 214 N 0.52 0.70 -0.28 1.90 3.07 -1.90 -1.48 114.58 117.11 1gaw h GLU 214 Ca 0.42 -0.07 -0.09 0.00 -0.50 0.00 0.00 59.36 59.11 1gaw h GLU 214 Cb 0.59 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1gaw h GLU 214 CO -0.37 0.53 -0.17 0.93 -1.40 0.00 0.00 179.01 178.53 1gaw h GLU 215 N 0.71 0.61 0.00 2.33 5.08 -1.59 -2.63 114.58 119.09 1gaw h GLU 215 Ca 0.18 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1gaw h GLU 215 Cb 0.04 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1gaw h GLU 215 CO -0.03 0.87 -0.33 0.74 -1.00 0.00 0.00 179.01 179.25 1gaw h PHE 216 N 0.34 0.00 -0.53 4.33 0.04 -1.10 -2.03 116.94 117.99 1gaw h PHE 216 Ca 0.06 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 1gaw h PHE 216 Cb 0.71 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.84 1gaw h PHE 216 CO 0.07 0.33 0.01 0.78 -0.60 0.00 0.00 178.31 178.90 1gaw h GLY 217 N 1.25 1.01 1.98 -1.45 0.00 -1.13 -1.04 103.07 103.70 1gaw h GLY 217 Ca -0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 47.33 46.48 1gaw h GLY 217 CO 0.04 0.68 -0.50 0.50 0.00 0.00 0.00 176.54 177.26 1gaw h LYS 218 N 0.81 0.02 -0.28 4.80 1.57 -1.10 -2.49 116.57 119.91 1gaw h LYS 218 Ca 0.15 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 1gaw h LYS 218 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1gaw h LYS 218 CO 0.03 0.52 -0.17 0.52 -0.57 0.00 0.00 179.45 179.77 1gaw h MET 219 N 0.02 0.60 0.00 3.15 2.86 -1.05 -2.57 114.93 117.94 1gaw h MET 219 Ca -0.00 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.33 1gaw h MET 219 Cb 0.89 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.54 1gaw h MET 219 CO 0.07 0.86 -0.11 -0.22 1.06 0.00 0.00 176.91 178.57 1gaw h LYS 220 N 0.34 0.00 -0.01 1.72 1.63 -1.05 -1.46 116.57 117.74 1gaw h LYS 220 Ca 0.06 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.62 1gaw h LYS 220 Cb 0.70 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.34 1gaw h LYS 220 CO 0.05 0.11 -0.97 1.49 -3.45 0.00 0.00 179.45 176.67 1gaw h GLU 221 N 0.00 0.53 -0.00 1.90 4.81 -1.17 -2.88 114.58 117.77 1gaw h GLU 221 Ca -0.00 -0.56 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1gaw h GLU 221 Cb 0.27 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1gaw h GLU 221 CO 0.01 1.19 -0.72 2.89 -0.73 0.00 0.00 179.01 181.66 1gaw n ARG 222 N -3.79 0.26 -3.01 1.92 1.85 -0.99 -4.48 116.66 108.41 1gaw n ARG 222 Ca -0.08 -0.20 -0.15 0.00 -1.00 0.00 0.00 57.85 56.42 1gaw n ARG 222 Cb 0.85 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.77 1gaw n ARG 222 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1gaw n ALA 223 N -1.20 1.70 0.23 2.89 0.00 -0.58 -4.98 120.51 118.57 1gaw n ALA 223 Ca 0.06 -2.94 0.18 0.00 0.00 0.00 0.00 53.44 50.74 1gaw n ALA 223 Cb 0.35 -0.97 0.86 0.00 0.00 0.00 0.00 19.45 19.69 1gaw n ALA 223 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1gaw h PRO 224 N 2.96 0.00 -0.21 0.00 0.13 -1.72 -2.13 132.00 131.02 1gaw h PRO 224 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1gaw h PRO 224 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1gaw h PRO 224 CO 0.41 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.33 1gaw n GLU 225 N -3.58 1.83 0.00 0.86 0.28 -1.26 -4.43 120.64 114.35 1gaw n GLU 225 Ca 0.01 -1.73 0.00 0.00 -0.16 0.00 0.00 57.16 55.29 1gaw n GLU 225 Cb 0.34 -1.30 -0.00 0.00 1.43 0.00 0.00 31.44 31.91 1gaw n GLU 225 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1gaw n ASN 226 N 0.76 0.11 -3.90 -1.84 3.02 -0.92 -4.92 115.26 107.58 1gaw n ASN 226 Ca 0.11 -0.56 -0.19 0.00 -0.03 0.00 0.00 54.58 53.92 1gaw n ASN 226 Cb 0.40 0.92 -0.16 0.00 -0.61 0.00 0.00 39.78 40.33 1gaw n ASN 226 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1gaw s PHE 227 N -0.98 0.65 -0.01 3.10 5.36 -0.85 0.41 117.98 125.66 1gaw s PHE 227 Ca 0.00 -0.16 0.03 0.00 -0.96 0.00 0.00 56.93 55.85 1gaw s PHE 227 Cb 0.01 -0.56 -0.01 0.00 -0.34 0.00 0.00 43.02 42.11 1gaw s PHE 227 CO 0.03 -0.14 -0.11 1.03 -1.46 0.00 0.00 175.22 174.57 1gaw s ARG 228 N 0.69 0.88 -0.01 10.12 0.52 0.14 -4.77 118.95 126.53 1gaw s ARG 228 Ca -0.09 -0.38 0.03 0.00 -0.52 0.00 0.00 55.73 54.78 1gaw s ARG 228 Cb -0.12 -0.85 -0.01 0.00 0.52 0.00 0.00 34.95 34.49 1gaw s ARG 228 CO -0.00 0.22 -0.11 0.08 0.02 0.00 0.00 175.30 175.51 1gaw s VAL 229 N -0.21 0.83 -0.04 3.52 1.01 -1.26 -0.73 120.40 123.53 1gaw s VAL 229 Ca 0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1gaw s VAL 229 Cb -0.05 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.67 1gaw s VAL 229 CO -0.00 0.22 0.02 -1.81 0.00 0.00 0.00 175.10 173.54 1gaw s ASP 230 N -0.28 0.80 0.11 3.32 1.01 -0.04 -4.98 116.67 116.62 1gaw s ASP 230 Ca 0.04 0.01 0.03 0.00 0.71 0.00 0.00 52.55 53.33 1gaw s ASP 230 Cb -0.04 -0.21 -0.04 0.00 1.01 0.00 0.00 42.92 43.64 1gaw s ASP 230 CO -0.00 -0.17 0.18 -0.31 0.21 0.00 0.00 175.17 175.08 1gaw s TYR 231 N 1.56 3.35 -0.31 4.23 1.51 -1.26 -1.65 117.35 124.78 1gaw s TYR 231 Ca -0.02 0.11 -0.01 0.00 -1.01 0.00 0.00 57.07 56.13 1gaw s TYR 231 Cb -0.13 -1.64 0.10 0.00 -0.11 0.00 0.00 41.96 40.18 1gaw s TYR 231 CO -0.03 0.54 0.11 0.00 -1.11 0.00 0.00 175.55 175.05 1gaw s ALA 232 N -1.60 1.33 -0.53 3.71 0.00 -0.25 -4.93 121.76 119.49 1gaw s ALA 232 Ca 0.33 -1.55 -0.15 0.00 0.00 0.00 0.00 51.96 50.59 1gaw s ALA 232 Cb -0.12 -1.57 0.12 0.00 0.00 0.00 0.00 23.12 21.56 1gaw s ALA 232 CO 0.26 -1.67 0.48 0.08 0.00 0.00 0.00 175.76 174.91 1gaw s VAL 233 N 1.72 5.12 0.38 0.00 1.01 -1.24 -1.33 120.40 126.06 1gaw s VAL 233 Ca 0.10 -1.49 0.07 0.00 0.00 0.00 0.00 61.98 60.65 1gaw s VAL 233 Cb -0.17 -4.27 0.28 0.00 0.00 0.00 0.00 36.38 32.23 1gaw s VAL 233 CO -0.28 -0.83 2.00 0.77 0.00 0.00 0.00 175.10 176.76 1gaw h SER 234 N 8.84 0.58 0.29 3.32 4.64 -1.25 -0.72 113.55 129.25 1gaw h SER 234 Ca -0.29 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1gaw h SER 234 Cb 1.10 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1gaw h SER 234 CO 1.01 0.40 -0.19 0.54 -0.87 0.00 0.00 176.83 177.72 1gaw n ARG 235 N -4.47 0.79 0.00 4.77 1.74 -0.66 -4.06 116.66 114.77 1gaw n ARG 235 Ca 0.08 -0.39 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 1gaw n ARG 235 Cb 0.16 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1gaw n ARG 235 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1gaw n GLU 236 N -0.76 1.30 -4.36 5.56 1.02 -1.02 -5.07 120.64 117.32 1gaw n GLU 236 Ca 0.13 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 57.03 1gaw n GLU 236 Cb 0.32 -0.97 -0.09 0.00 -0.02 0.00 0.00 31.44 30.69 1gaw n GLU 236 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1gaw s GLN 237 N -1.88 2.01 0.07 3.49 -0.21 -0.31 -5.07 119.66 117.75 1gaw s GLN 237 Ca 0.00 -1.51 -0.12 0.00 0.02 0.00 0.00 55.36 53.75 1gaw s GLN 237 Cb 0.00 -2.02 0.01 0.00 1.00 0.00 0.00 33.01 32.01 1gaw s GLN 237 CO 0.00 0.37 0.27 0.95 -2.12 0.00 0.00 175.29 174.76 1gaw s THR 238 N -2.23 0.10 0.67 -0.19 -4.23 -1.26 -1.90 115.64 106.60 1gaw s THR 238 Ca 0.29 -0.83 0.02 0.00 -1.18 0.00 0.00 61.69 60.00 1gaw s THR 238 Cb -0.06 -1.07 0.13 0.00 1.34 0.00 0.00 72.50 72.83 1gaw s THR 238 CO 0.17 -0.46 0.92 -0.46 -0.54 0.00 0.00 174.62 174.25 1gaw n ASN 239 N 0.32 1.50 -0.23 3.99 0.23 -0.75 -4.89 115.26 115.42 1gaw n ASN 239 Ca -0.17 -2.21 0.19 0.00 -0.53 0.00 0.00 54.58 51.86 1gaw n ASN 239 Cb 0.61 -0.57 0.53 0.00 -2.08 0.00 0.00 39.78 38.26 1gaw n ASN 239 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1gaw h ALA 240 N -0.42 2.24 0.00 -2.53 0.00 -2.01 0.20 119.26 116.73 1gaw h ALA 240 Ca -0.31 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1gaw h ALA 240 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1gaw h ALA 240 CO 0.35 -0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.09 1gaw n ALA 241 N -2.53 2.16 -0.76 0.00 0.00 -1.26 -4.88 120.51 113.23 1gaw n ALA 241 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1gaw n ALA 241 Cb 0.70 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1gaw n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gaw n GLY 242 N 0.68 0.57 3.86 0.00 0.00 0.70 -5.05 105.19 105.95 1gaw n GLY 242 Ca 0.10 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 1gaw n GLY 242 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gaw s GLU 243 N -0.89 3.86 0.41 1.61 2.02 -1.26 -4.81 118.70 119.64 1gaw s GLU 243 Ca 0.00 0.33 -0.26 0.00 0.02 0.00 0.00 54.97 55.06 1gaw s GLU 243 Cb 0.00 -2.82 -0.10 0.00 0.10 0.00 0.00 34.13 31.31 1gaw s GLU 243 CO 0.00 0.42 1.39 0.54 0.02 0.00 0.00 175.26 177.63 1gaw n ARG 244 N 0.39 2.26 -2.69 1.61 1.74 -1.26 -1.82 116.66 116.90 1gaw n ARG 244 Ca -0.03 0.80 -0.43 0.00 -0.77 0.00 0.00 57.85 57.42 1gaw n ARG 244 Cb 0.52 -2.53 -0.01 0.00 -1.02 0.00 0.00 32.46 29.42 1gaw n ARG 244 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1gaw s MET 245 N -2.22 3.91 0.68 5.56 -2.45 -0.80 -4.82 119.30 119.17 1gaw s MET 245 Ca 0.58 -1.96 -0.05 0.00 -1.25 0.00 0.00 55.69 53.01 1gaw s MET 245 Cb -0.49 -5.35 0.07 0.00 1.25 0.00 0.00 34.83 30.31 1gaw s MET 245 CO 0.60 -2.10 0.97 0.71 1.05 0.00 0.00 175.02 176.25 1gaw s TYR 246 N 3.62 2.72 0.23 4.11 2.02 -1.26 -2.84 117.35 125.95 1gaw s TYR 246 Ca 0.48 0.26 -0.07 0.00 -0.37 0.00 0.00 57.07 57.37 1gaw s TYR 246 Cb 0.01 -3.11 0.32 0.00 -0.40 0.00 0.00 41.96 38.78 1gaw s TYR 246 CO 0.02 -1.36 1.81 0.97 -1.57 0.00 0.00 175.55 175.41 1gaw h ILE 247 N -0.48 0.93 -0.02 2.71 2.10 -1.93 -1.19 117.51 119.64 1gaw h ILE 247 Ca -0.43 -0.25 -0.06 0.00 1.08 0.00 0.00 64.86 65.20 1gaw h ILE 247 Cb 1.30 0.14 -0.01 0.00 -1.09 0.00 0.00 36.82 37.16 1gaw h ILE 247 CO 0.55 0.13 -0.27 0.06 -1.08 0.00 0.00 178.15 177.55 1gaw h GLN 248 N 0.73 0.03 -0.33 2.19 -0.00 -1.93 -1.47 115.11 114.33 1gaw h GLN 248 Ca 0.35 -0.01 -0.13 0.00 -0.00 0.00 0.00 58.65 58.86 1gaw h GLN 248 Cb 0.28 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.74 1gaw h GLN 248 CO -0.22 0.29 -0.33 1.15 -0.00 0.00 0.00 178.83 179.72 1gaw h THR 249 N 0.02 1.28 -0.19 1.86 2.02 -1.57 -1.18 112.91 115.15 1gaw h THR 249 Ca 0.00 -1.48 -0.21 0.00 0.77 0.00 0.00 66.41 65.50 1gaw h THR 249 Cb 0.49 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1gaw h THR 249 CO 0.04 0.48 -0.69 -0.09 0.37 0.00 0.00 175.52 175.63 1gaw h ARG 250 N 0.61 0.77 -0.58 6.66 9.65 -0.95 -3.08 114.38 127.47 1gaw h ARG 250 Ca 0.07 -0.58 -0.01 0.00 -1.10 0.00 0.00 59.98 58.36 1gaw h ARG 250 Cb 0.86 0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.51 1gaw h ARG 250 CO 0.07 1.19 0.31 0.52 2.80 0.00 0.00 179.97 184.86 1gaw h MET 251 N 0.55 0.80 -0.08 0.20 2.86 -1.13 -2.13 114.93 116.00 1gaw h MET 251 Ca -0.03 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1gaw h MET 251 Cb 1.30 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.80 1gaw h MET 251 CO 0.14 0.60 0.09 0.00 1.06 0.00 0.00 176.91 178.80 1gaw h ALA 252 N 1.53 1.66 0.00 6.32 0.00 -1.11 0.16 119.26 127.82 1gaw h ALA 252 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1gaw h ALA 252 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1gaw h ALA 252 CO -0.03 -0.13 0.00 0.93 0.00 0.00 0.00 179.25 180.02 1gaw h GLU 253 N 0.00 0.00 0.00 0.00 5.08 -1.45 -2.67 114.58 115.53 1gaw h GLU 253 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1gaw h GLU 253 Cb 0.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1gaw h GLU 253 CO -0.00 0.00 -0.33 0.66 -1.00 0.00 0.00 179.01 178.34 1gaw n TYR 254 N -2.82 0.00 -0.25 4.33 4.01 0.48 -4.83 117.16 118.07 1gaw n TYR 254 Ca 0.01 -1.13 0.12 0.00 -0.16 0.00 0.00 57.90 56.74 1gaw n TYR 254 Cb 0.29 -0.19 0.39 0.00 -0.31 0.00 0.00 39.34 39.52 1gaw n TYR 254 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1gaw h LYS 255 N 0.52 0.65 0.16 -0.72 2.10 -0.98 -0.25 116.57 118.04 1gaw h LYS 255 Ca -0.02 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 1gaw h LYS 255 Cb 1.09 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1gaw h LYS 255 CO 0.01 0.43 -0.07 0.93 -2.00 0.00 0.00 179.45 178.74 1gaw h GLU 256 N 0.67 -0.20 -0.30 0.07 4.39 -1.88 -1.94 114.58 115.39 1gaw h GLU 256 Ca 0.43 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.14 1gaw h GLU 256 Cb 0.70 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 1gaw h GLU 256 CO -0.19 0.06 0.15 0.93 -1.16 0.00 0.00 179.01 178.80 1gaw h GLU 257 N -0.45 0.42 -0.63 2.33 3.07 -1.79 -2.31 114.58 115.23 1gaw h GLU 257 Ca -0.02 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 1gaw h GLU 257 Cb 0.35 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 1gaw h GLU 257 CO 0.04 0.39 0.30 -0.07 -1.40 0.00 0.00 179.01 178.26 1gaw h LEU 258 N 0.35 0.83 -0.50 1.33 3.38 -1.10 -0.84 115.31 118.75 1gaw h LEU 258 Ca 0.10 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1gaw h LEU 258 Cb 0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1gaw h LEU 258 CO -0.01 0.73 0.31 -0.25 0.09 0.00 0.00 178.44 179.31 1gaw h TRP 259 N 0.86 0.66 -0.72 1.13 2.91 -1.25 -1.23 115.95 118.31 1gaw h TRP 259 Ca 0.21 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.19 1gaw h TRP 259 Cb 0.13 -0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 28.53 1gaw h TRP 259 CO 0.00 0.44 0.26 0.93 -1.03 0.00 0.00 178.44 179.04 1gaw h GLU 260 N 0.68 1.09 -0.54 2.65 4.39 -1.16 -2.78 114.58 118.90 1gaw h GLU 260 Ca 0.18 -0.21 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 1gaw h GLU 260 Cb -0.03 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 1gaw h GLU 260 CO -0.04 0.90 0.00 -0.07 -1.16 0.00 0.00 179.01 178.65 1gaw h LEU 261 N 1.05 0.88 -2.59 1.33 3.38 -0.66 -2.73 115.31 115.98 1gaw h LEU 261 Ca 0.24 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1gaw h LEU 261 Cb 0.25 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1gaw h LEU 261 CO -0.01 0.94 -0.01 -0.07 0.09 0.00 0.00 178.44 179.37 1gaw h LEU 262 N 0.84 0.00 -0.16 1.67 3.38 -0.95 -1.35 115.31 118.74 1gaw h LEU 262 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1gaw h LEU 262 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1gaw h LEU 262 CO 0.02 0.01 -0.07 0.29 0.09 0.00 0.00 178.44 178.79 1gaw n LYS 263 N -3.29 0.66 -3.34 1.13 5.02 -1.03 -4.84 118.16 112.47 1gaw n LYS 263 Ca -0.02 -0.16 -0.34 0.00 -2.02 0.00 0.00 58.31 55.76 1gaw n LYS 263 Cb 0.12 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 1gaw n LYS 263 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1gaw s LYS 264 N -2.45 3.96 0.45 1.97 1.02 -0.51 -4.99 119.74 119.18 1gaw s LYS 264 Ca 0.31 0.48 0.24 0.00 0.02 0.00 0.00 55.97 57.02 1gaw s LYS 264 Cb 0.20 -2.83 1.01 0.00 -0.52 0.00 0.00 37.83 35.69 1gaw s LYS 264 CO 0.46 0.41 1.87 -0.44 -0.92 0.00 0.00 175.35 176.74 1gaw h ASP 265 N 3.23 0.00 -0.73 2.83 3.45 -1.88 -3.16 116.42 120.15 1gaw h ASP 265 Ca -0.48 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 56.68 1gaw h ASP 265 Cb 1.19 0.00 -0.18 0.00 -0.56 0.00 0.00 39.33 39.78 1gaw h ASP 265 CO 0.66 0.22 0.33 -0.46 -1.57 0.00 0.00 179.24 178.43 1gaw n ASN 266 N -3.48 4.03 -4.47 6.45 6.94 -1.26 -4.92 115.26 118.55 1gaw n ASN 266 Ca -0.00 -3.43 -0.35 0.00 -0.02 0.00 0.00 54.58 50.77 1gaw n ASN 266 Cb 0.39 -0.75 -0.12 0.00 -2.36 0.00 0.00 39.78 36.95 1gaw n ASN 266 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1gaw s THR 267 N -3.13 4.13 -0.10 5.53 2.01 -1.20 -0.23 115.64 122.66 1gaw s THR 267 Ca 0.53 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.31 1gaw s THR 267 Cb 0.44 -2.88 0.01 0.00 0.01 0.00 0.00 72.50 70.08 1gaw s THR 267 CO 0.10 0.41 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.94 1gaw s TYR 268 N 1.03 2.21 -0.16 4.92 1.51 0.85 -4.78 117.35 122.94 1gaw s TYR 268 Ca 0.03 -0.93 -0.05 0.00 -1.01 0.00 0.00 57.07 55.10 1gaw s TYR 268 Cb -0.14 -1.52 -0.03 0.00 -0.11 0.00 0.00 41.96 40.16 1gaw s TYR 268 CO 0.02 -0.41 -0.01 0.08 -1.11 0.00 0.00 175.55 174.12 1gaw s VAL 269 N 0.57 4.16 -0.05 0.71 1.01 0.72 -0.72 120.40 126.80 1gaw s VAL 269 Ca -0.15 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1gaw s VAL 269 Cb -0.17 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 1gaw s VAL 269 CO 0.05 0.49 -0.21 -0.31 0.00 0.00 0.00 175.10 175.11 1gaw s TYR 270 N 0.31 2.10 -0.06 5.22 1.51 -0.05 -0.44 117.35 125.94 1gaw s TYR 270 Ca -0.02 -0.61 0.02 0.00 -1.01 0.00 0.00 57.07 55.46 1gaw s TYR 270 Cb -0.14 -1.39 0.02 0.00 -0.11 0.00 0.00 41.96 40.34 1gaw s TYR 270 CO 0.02 -0.19 -0.10 1.41 -1.11 0.00 0.00 175.55 175.58 1gaw s MET 271 N -0.09 1.47 -0.09 -0.62 1.75 0.45 -0.48 119.30 121.69 1gaw s MET 271 Ca -0.03 -0.33 -0.10 0.00 -1.25 0.00 0.00 55.69 53.98 1gaw s MET 271 Cb -0.12 -1.26 0.03 0.00 2.84 0.00 0.00 34.83 36.31 1gaw s MET 271 CO 0.03 -0.00 0.27 0.00 -0.65 0.00 0.00 175.02 174.66 1gaw n GLY 273 N 2.75 0.41 3.70 0.00 0.00 -1.14 -2.44 105.19 108.47 1gaw n GLY 273 Ca -0.14 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 1gaw n GLY 273 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gaw s LEU 274 N 0.00 4.35 0.20 0.99 1.43 -1.26 -1.28 118.68 123.10 1gaw s LEU 274 Ca 0.00 2.22 -0.33 0.00 -1.03 0.00 0.00 54.13 55.00 1gaw s LEU 274 Cb 0.00 -3.57 -0.13 0.00 0.03 0.00 0.00 46.19 42.52 1gaw s LEU 274 CO 0.00 -0.67 1.63 1.17 0.23 0.00 0.00 176.35 178.71 1gaw n LYS 275 N 4.56 2.44 0.00 1.70 4.81 0.28 -2.16 118.16 129.79 1gaw n LYS 275 Ca 0.12 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.44 1gaw n LYS 275 Cb 0.43 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.81 1gaw n LYS 275 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1gaw n GLY 276 N 3.46 1.99 0.24 3.14 0.00 -1.26 -4.92 105.19 107.84 1gaw n GLY 276 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1gaw n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gaw h MET 277 N 0.85 0.00 -0.04 1.61 -0.00 -1.83 -2.99 114.93 112.53 1gaw h MET 277 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.59 1gaw h MET 277 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 1gaw h MET 277 CO 0.00 0.12 -0.48 1.05 -0.00 0.00 0.00 176.91 177.61 1gaw h GLU 278 N 0.00 0.10 -0.04 -0.10 9.09 -1.91 -2.99 114.58 118.73 1gaw h GLU 278 Ca -0.00 -0.05 -0.00 0.00 0.05 0.00 0.00 59.36 59.35 1gaw h GLU 278 Cb 0.70 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.80 1gaw h GLU 278 CO 0.02 0.56 0.01 -0.22 0.05 0.00 0.00 179.01 179.43 1gaw h LYS 279 N 0.08 0.05 -0.45 1.06 3.64 -1.94 0.47 116.57 119.49 1gaw h LYS 279 Ca 0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1gaw h LYS 279 Cb 0.88 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 1gaw h LYS 279 CO 0.07 0.20 0.19 0.78 -2.27 0.00 0.00 179.45 178.42 1gaw h GLY 280 N -0.11 0.67 1.36 5.01 0.00 -1.67 -0.70 103.07 107.64 1gaw h GLY 280 Ca 0.01 -0.31 -0.20 0.00 0.00 0.00 0.00 47.33 46.84 1gaw h GLY 280 CO -0.00 0.30 -0.70 -2.22 0.00 0.00 0.00 176.54 173.92 1gaw h ILE 281 N 0.63 1.32 -0.48 2.60 2.04 -1.36 -3.03 117.51 119.23 1gaw h ILE 281 Ca 0.16 -1.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.01 1gaw h ILE 281 Cb 0.10 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1gaw h ILE 281 CO -0.02 0.61 0.14 0.44 0.00 0.00 0.00 178.15 179.33 1gaw h ASP 282 N 0.45 0.70 -0.70 1.72 3.32 -0.33 -2.47 116.42 119.11 1gaw h ASP 282 Ca -0.03 -0.21 0.12 0.00 0.02 0.00 0.00 57.03 56.93 1gaw h ASP 282 Cb 1.29 -0.18 -0.09 0.00 0.22 0.00 0.00 39.33 40.57 1gaw h ASP 282 CO 0.13 0.73 0.28 0.44 -1.72 0.00 0.00 179.24 179.10 1gaw h ASP 283 N 0.64 0.28 0.33 6.45 3.32 -1.09 0.14 116.42 126.49 1gaw h ASP 283 Ca 0.15 0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.19 1gaw h ASP 283 Cb 0.28 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1gaw h ASP 283 CO -0.00 0.13 -0.46 0.40 -1.72 0.00 0.00 179.24 177.59 1gaw h ILE 284 N 0.45 1.33 -0.01 0.35 1.08 -1.41 -3.12 117.51 116.17 1gaw h ILE 284 Ca 0.37 -1.62 -0.19 0.00 -0.39 0.00 0.00 64.86 63.03 1gaw h ILE 284 Cb 0.52 1.79 -0.01 0.00 -3.07 0.00 0.00 36.82 36.05 1gaw h ILE 284 CO -0.36 0.48 -0.84 0.24 -0.69 0.00 0.00 178.15 176.98 1gaw h MET 285 N 0.13 0.25 -0.84 2.37 2.86 -0.60 -3.13 114.93 115.97 1gaw h MET 285 Ca 0.01 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.36 1gaw h MET 285 Cb 0.86 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.55 1gaw h MET 285 CO 0.07 0.95 0.40 0.28 1.06 0.00 0.00 176.91 179.67 1gaw h VAL 286 N 0.15 1.26 -0.35 -2.22 2.07 -0.74 0.13 116.25 116.55 1gaw h VAL 286 Ca -0.04 -0.73 -0.14 0.00 0.82 0.00 0.00 66.70 66.61 1gaw h VAL 286 Cb 1.44 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1gaw h VAL 286 CO 0.13 0.31 -0.33 0.77 0.02 0.00 0.00 177.57 178.48 1gaw h SER 287 N 1.19 0.82 -0.22 0.57 4.64 -1.61 -2.68 113.55 116.25 1gaw h SER 287 Ca 0.29 -0.34 -0.07 0.00 -0.47 0.00 0.00 61.79 61.20 1gaw h SER 287 Cb 0.12 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1gaw h SER 287 CO -0.04 1.07 -0.14 -0.07 -0.87 0.00 0.00 176.83 176.79 1gaw h LEU 288 N 0.66 0.51 -0.64 5.97 3.38 -1.43 -3.24 115.31 120.52 1gaw h LEU 288 Ca 0.07 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.67 1gaw h LEU 288 Cb 0.87 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 1gaw h LEU 288 CO 0.08 0.83 0.34 0.00 0.09 0.00 0.00 178.44 179.78 1gaw h ALA 289 N 0.70 0.84 0.00 1.53 0.00 -0.71 -1.55 119.26 120.07 1gaw h ALA 289 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1gaw h ALA 289 Cb 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1gaw h ALA 289 CO 0.04 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 178.44 1gaw n GLU 290 N -4.82 0.67 0.16 0.00 0.28 -1.02 -1.09 120.64 114.82 1gaw n GLU 290 Ca 0.08 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.20 1gaw n GLU 290 Cb 0.18 -1.36 0.21 0.00 1.43 0.00 0.00 31.44 31.89 1gaw n GLU 290 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1gaw h LYS 291 N 0.00 0.00 -0.02 3.44 1.79 -1.32 -3.16 116.57 117.30 1gaw h LYS 291 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1gaw h LYS 291 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1gaw h LYS 291 CO 0.00 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 178.12 1gaw n ASP 292 N -2.77 2.44 -2.44 0.86 8.00 -0.84 -4.96 116.55 116.84 1gaw n ASP 292 Ca 0.04 -3.07 -0.19 0.00 0.71 0.00 0.00 54.79 52.28 1gaw n ASP 292 Cb 0.50 -0.43 0.02 0.00 -0.02 0.00 0.00 41.12 41.19 1gaw n ASP 292 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gaw n GLY 293 N -1.37 -0.37 3.56 0.44 0.00 -1.19 -5.00 105.19 101.26 1gaw n GLY 293 Ca 0.16 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1gaw n GLY 293 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gaw s ILE 294 N -3.03 3.50 -0.32 -0.61 1.01 -0.25 -4.97 121.20 116.53 1gaw s ILE 294 Ca 0.17 -0.67 -0.21 0.00 0.00 0.00 0.00 60.65 59.94 1gaw s ILE 294 Cb -0.07 -2.46 -0.00 0.00 0.01 0.00 0.00 42.46 39.93 1gaw s ILE 294 CO 0.21 0.51 0.66 -0.62 0.00 0.00 0.00 174.94 175.70 1gaw s ASP 295 N -1.05 6.50 0.14 3.58 3.68 -1.26 -2.88 116.67 125.39 1gaw s ASP 295 Ca 0.14 0.39 -0.21 0.00 2.13 0.00 0.00 52.55 55.00 1gaw s ASP 295 Cb -0.11 -2.34 0.02 0.00 -1.45 0.00 0.00 42.92 39.04 1gaw s ASP 295 CO 0.04 -0.54 1.65 -0.25 0.13 0.00 0.00 175.17 176.20 1gaw h TRP 296 N 8.26 -0.44 -0.40 -5.34 -0.00 -1.87 -1.61 115.95 114.54 1gaw h TRP 296 Ca -0.26 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.65 1gaw h TRP 296 Cb 1.11 0.23 -0.02 0.00 -0.00 0.00 0.00 29.16 30.48 1gaw h TRP 296 CO 0.76 -0.25 0.22 0.74 -0.00 0.00 0.00 178.44 179.92 1gaw h PHE 297 N -0.18 0.52 -0.10 2.65 -1.00 -1.97 0.59 116.94 117.45 1gaw h PHE 297 Ca 0.13 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.76 1gaw h PHE 297 Cb 0.37 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 1gaw h PHE 297 CO -0.33 0.36 -0.58 -0.44 -1.61 0.00 0.00 178.31 175.72 1gaw h ASP 298 N 0.55 0.37 -0.11 2.17 3.45 -1.91 -2.63 116.42 118.31 1gaw h ASP 298 Ca 0.14 -0.21 -0.22 0.00 0.43 0.00 0.00 57.03 57.18 1gaw h ASP 298 Cb 0.01 -0.11 0.01 0.00 -0.56 0.00 0.00 39.33 38.68 1gaw h ASP 298 CO -0.02 0.87 -0.77 0.22 -1.57 0.00 0.00 179.24 177.96 1gaw h TYR 299 N 0.25 0.99 -0.89 4.55 3.20 -0.04 -3.03 116.97 122.00 1gaw h TYR 299 Ca -0.00 -0.46 -0.02 0.00 3.14 0.00 0.00 58.73 61.39 1gaw h TYR 299 Cb 1.08 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 39.17 1gaw h TYR 299 CO 0.03 1.28 0.46 -0.22 -1.64 0.00 0.00 178.16 178.07 1gaw h LYS 300 N 0.41 1.25 -0.81 1.82 3.64 0.10 -1.40 116.57 121.59 1gaw h LYS 300 Ca -0.06 -0.16 0.04 0.00 -1.27 0.00 0.00 60.65 59.19 1gaw h LYS 300 Cb 1.41 -0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 32.94 1gaw h LYS 300 CO 0.16 0.93 0.51 0.87 -2.27 0.00 0.00 179.45 179.65 1gaw h LYS 301 N 1.25 0.96 -0.40 1.90 1.57 -1.48 0.36 116.57 120.74 1gaw h LYS 301 Ca 0.31 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1gaw h LYS 301 Cb 0.06 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1gaw h LYS 301 CO -0.05 0.63 0.12 0.37 -0.57 0.00 0.00 179.45 179.96 1gaw h GLN 302 N 0.99 0.62 -0.88 3.15 4.15 -1.28 -2.13 115.11 119.72 1gaw h GLN 302 Ca 0.33 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 1gaw h GLN 302 Cb 0.04 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.60 1gaw h GLN 302 CO -0.12 0.63 0.50 -0.07 -1.93 0.00 0.00 178.83 177.83 1gaw h LEU 303 N 0.50 1.09 -0.23 -2.39 3.38 -0.67 -2.51 115.31 114.48 1gaw h LEU 303 Ca 0.13 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1gaw h LEU 303 Cb 0.27 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1gaw h LEU 303 CO -0.00 0.86 0.13 0.11 0.09 0.00 0.00 178.44 179.63 1gaw h LYS 304 N 1.23 0.31 -0.80 1.13 1.57 -0.65 0.64 116.57 120.00 1gaw h LYS 304 Ca 0.31 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.17 1gaw h LYS 304 Cb -0.00 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.19 1gaw h LYS 304 CO -0.05 0.26 0.52 0.00 -0.57 0.00 0.00 179.45 179.62 1gaw h ARG 305 N 0.27 0.67 -0.28 3.15 3.08 -1.10 0.90 114.38 121.08 1gaw h ARG 305 Ca 0.08 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1gaw h ARG 305 Cb 0.04 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1gaw h ARG 305 CO -0.01 0.45 0.00 0.41 -1.07 0.00 0.00 179.97 179.74 1gaw n GLY 306 N -1.45 0.23 2.39 0.04 0.00 -0.84 -4.89 105.19 100.67 1gaw n GLY 306 Ca 0.14 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 1gaw n GLY 306 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gaw n ASP 307 N 0.18 -5.61 -0.70 1.61 8.00 0.31 -4.87 116.55 115.46 1gaw n ASP 307 Ca 0.08 0.02 0.09 0.00 0.71 0.00 0.00 54.79 55.69 1gaw n ASP 307 Cb 0.22 -4.66 0.06 0.00 -0.02 0.00 0.00 41.12 36.73 1gaw n ASP 307 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gaw n GLN 308 N -2.85 1.64 -3.53 -1.24 6.02 0.16 -4.77 117.38 112.81 1gaw n GLN 308 Ca -0.23 -1.50 -0.29 0.00 -0.01 0.00 0.00 57.00 54.97 1gaw n GLN 308 Cb 0.67 -1.36 -0.14 0.00 1.02 0.00 0.00 30.24 30.43 1gaw n GLN 308 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 1gaw s TRP 309 N -1.68 0.54 -0.20 1.08 -0.11 -1.22 -0.20 118.94 117.15 1gaw s TRP 309 Ca 0.21 -1.18 -0.03 0.00 1.22 0.00 0.00 56.10 56.31 1gaw s TRP 309 Cb 0.16 -0.96 -0.01 0.00 -1.50 0.00 0.00 33.47 31.15 1gaw s TRP 309 CO 0.28 -0.83 -0.05 -0.80 -4.62 0.00 0.00 176.95 170.92 1gaw s ASN 310 N 1.72 4.35 -0.04 5.86 0.01 0.42 -4.60 114.94 122.67 1gaw s ASN 310 Ca 0.12 -0.33 0.06 0.00 -0.71 0.00 0.00 52.86 51.99 1gaw s ASN 310 Cb -0.18 -1.73 -0.01 0.00 0.41 0.00 0.00 41.25 39.74 1gaw s ASN 310 CO -0.24 0.04 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.49 1gaw s VAL 311 N 1.12 1.71 -0.38 1.60 1.01 -1.26 -0.41 120.40 123.79 1gaw s VAL 311 Ca 0.02 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1gaw s VAL 311 Cb -0.15 -1.44 0.16 0.00 0.00 0.00 0.00 36.38 34.95 1gaw s VAL 311 CO -0.01 0.48 0.37 -0.70 0.00 0.00 0.00 175.10 175.24 1gaw s GLU 312 N -0.22 0.68 0.23 2.72 2.56 -0.36 -4.97 118.70 119.35 1gaw s GLU 312 Ca 0.01 -1.09 0.10 0.00 0.00 0.00 0.00 54.97 53.98 1gaw s GLU 312 Cb -0.11 -0.85 -0.04 0.00 2.00 0.00 0.00 34.13 35.12 1gaw s GLU 312 CO 0.02 -1.23 -0.07 0.14 -0.56 0.00 0.00 175.26 173.55 1gaw s VAL 313 N 1.18 3.18 0.00 3.70 -7.23 -1.26 -2.90 120.40 117.07 1gaw s VAL 313 Ca 0.20 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 1gaw s VAL 313 Cb -0.14 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.15 1gaw s VAL 313 CO -0.04 -0.27 0.00 0.00 -0.31 0.00 0.00 175.10 174.48