#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gbz n ILE 12 N 0.00 0.00 1.70 0.44 3.06 -1.26 -1.67 119.36 121.63 3gbz n ILE 12 Ca 0.00 0.40 0.10 0.00 -2.50 0.00 0.00 62.75 60.75 3gbz n ILE 12 Cb 0.00 -1.37 0.48 0.00 0.54 0.00 0.00 39.64 39.28 3gbz n ILE 12 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 3gbz n ASP 13 N -0.89 0.64 0.11 9.51 8.00 -1.26 -2.69 116.55 129.96 3gbz n ASP 13 Ca 0.00 -1.54 0.13 0.00 0.71 0.00 0.00 54.79 54.09 3gbz n ASP 13 Cb 0.40 -0.04 0.39 0.00 -0.02 0.00 0.00 41.12 41.86 3gbz n ASP 13 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3gbz n ARG 14 N -0.36 0.27 -4.39 -1.24 0.63 -0.67 -4.86 116.66 106.04 3gbz n ARG 14 Ca 0.15 0.22 -0.34 0.00 -0.92 0.00 0.00 57.85 56.96 3gbz n ARG 14 Cb 0.16 -1.81 -0.12 0.00 0.45 0.00 0.00 32.46 31.14 3gbz n ARG 14 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3gbz s TYR 15 N -3.10 3.03 0.33 -0.14 1.51 -1.10 -1.53 117.35 116.35 3gbz s TYR 15 Ca 0.10 -0.28 0.03 0.00 -1.01 0.00 0.00 57.07 55.92 3gbz s TYR 15 Cb 0.12 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.97 3gbz s TYR 15 CO 0.60 -0.02 0.14 1.03 -1.11 0.00 0.00 175.55 176.19 3gbz s ARG 16 N 0.34 1.67 -1.44 -0.62 0.52 -0.33 -4.79 118.95 114.30 3gbz s ARG 16 Ca -0.04 -1.96 -0.08 0.00 -0.52 0.00 0.00 55.73 53.13 3gbz s ARG 16 Cb -0.14 -0.33 0.05 0.00 0.52 0.00 0.00 34.95 35.05 3gbz s ARG 16 CO 0.03 -0.41 0.87 0.54 0.02 0.00 0.00 175.30 176.34 3gbz n ARG 17 N -0.66 -5.32 -2.54 3.54 1.74 -1.26 0.15 116.66 112.31 3gbz n ARG 17 Ca -0.01 0.61 -0.43 0.00 -0.77 0.00 0.00 57.85 57.25 3gbz n ARG 17 Cb 0.65 -5.36 -0.02 0.00 -1.02 0.00 0.00 32.46 26.71 3gbz n ARG 17 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3gbz s ILE 18 N -3.46 4.40 -0.20 0.55 1.01 -1.26 -4.34 121.20 117.90 3gbz s ILE 18 Ca 0.38 1.64 0.01 0.00 0.00 0.00 0.00 60.65 62.69 3gbz s ILE 18 Cb -0.19 -4.23 0.03 0.00 0.01 0.00 0.00 42.46 38.08 3gbz s ILE 18 CO 0.82 -0.33 -0.17 -0.89 0.00 0.00 0.00 174.94 174.37 3gbz s THR 19 N 3.70 2.02 0.16 2.92 2.01 0.15 -4.98 115.64 121.62 3gbz s THR 19 Ca 0.50 -1.09 -0.31 0.00 0.31 0.00 0.00 61.69 61.10 3gbz s THR 19 Cb -0.16 -1.92 -0.09 0.00 0.01 0.00 0.00 72.50 70.33 3gbz s THR 19 CO 0.15 0.37 1.50 -0.75 -0.69 0.00 0.00 174.62 175.20 3gbz s LYS 20 N 1.27 4.25 -0.02 4.92 2.20 -1.26 -1.31 119.74 129.79 3gbz s LYS 20 Ca 0.01 2.27 0.19 0.00 -0.36 0.00 0.00 55.97 58.08 3gbz s LYS 20 Cb -0.15 -3.17 -0.29 0.00 -1.51 0.00 0.00 37.83 32.71 3gbz s LYS 20 CO -0.11 -0.53 0.46 1.28 -0.36 0.00 0.00 175.35 176.09 3gbz n LEU 21 N 3.72 0.09 0.00 5.43 4.77 0.92 -4.91 117.00 127.03 3gbz n LEU 21 Ca 0.12 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3gbz n LEU 21 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3gbz n LEU 21 CO 0.60 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3gbz n GLY 22 N 1.42 0.26 3.49 -0.72 0.00 -1.11 -4.99 105.19 103.54 3gbz n GLY 22 Ca -0.03 -1.58 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 3gbz n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gbz s GLU 23 N -2.00 3.52 0.00 1.61 0.41 -1.26 -0.23 118.70 120.75 3gbz s GLU 23 Ca 0.00 -0.55 0.00 0.00 -0.41 0.00 0.00 54.97 54.01 3gbz s GLU 23 Cb 0.00 -2.83 0.00 0.00 -1.78 0.00 0.00 34.13 29.52 3gbz s GLU 23 CO 0.00 0.29 0.00 0.41 -0.49 0.00 0.00 175.26 175.47 3gbz n GLY 24 N 3.36 3.75 0.25 -1.39 0.00 0.17 -4.86 105.19 106.47 3gbz n GLY 24 Ca -0.18 -2.06 -0.02 0.00 0.00 0.00 0.00 46.02 43.77 3gbz n GLY 24 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gbz h THR 25 N 0.06 0.96 -0.00 2.61 2.02 -1.98 -3.18 112.91 113.40 3gbz h THR 25 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 3gbz h THR 25 Cb 0.00 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 3gbz h THR 25 CO 0.00 0.12 -0.65 -1.22 0.37 0.00 0.00 175.52 174.14 3gbz n TYR 26 N -4.81 0.00 -3.15 3.16 4.01 -1.26 -5.05 117.16 110.06 3gbz n TYR 26 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 3gbz n TYR 26 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 3gbz n TYR 26 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gbz n GLY 27 N 1.33 -0.75 3.76 2.72 0.00 -1.19 -0.45 105.19 110.62 3gbz n GLY 27 Ca 0.04 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 3gbz n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gbz s GLU 28 N -2.00 3.44 -0.02 1.61 8.01 -1.24 0.46 118.70 128.94 3gbz s GLU 28 Ca 0.00 1.92 0.07 0.00 0.01 0.00 0.00 54.97 56.97 3gbz s GLU 28 Cb 0.00 -2.27 -0.02 0.00 -4.31 0.00 0.00 34.13 27.53 3gbz s GLU 28 CO 0.00 -0.86 -0.24 0.08 0.01 0.00 0.00 175.26 174.26 3gbz s VAL 29 N -1.49 1.89 0.11 2.63 1.01 0.68 -0.98 120.40 124.26 3gbz s VAL 29 Ca 0.68 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.67 3gbz s VAL 29 Cb -0.32 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 3gbz s VAL 29 CO 0.38 0.53 -0.07 -0.31 0.00 0.00 0.00 175.10 175.64 3gbz s TYR 30 N -0.48 0.98 0.18 5.22 2.02 0.67 -0.06 117.35 125.89 3gbz s TYR 30 Ca 0.07 -0.89 0.08 0.00 -0.37 0.00 0.00 57.07 55.96 3gbz s TYR 30 Cb -0.10 -0.55 -0.04 0.00 -0.40 0.00 0.00 41.96 40.87 3gbz s TYR 30 CO -0.00 -0.11 -0.03 -1.59 -1.57 0.00 0.00 175.55 172.25 3gbz s LYS 31 N -3.82 2.29 0.24 -0.62 -2.85 -0.43 -0.22 119.74 114.33 3gbz s LYS 31 Ca 0.14 -1.17 -0.15 0.00 -1.00 0.00 0.00 55.97 53.78 3gbz s LYS 31 Cb 0.05 -2.28 0.00 0.00 -2.06 0.00 0.00 37.83 33.54 3gbz s LYS 31 CO -0.03 0.44 0.51 0.00 0.10 0.00 0.00 175.35 176.38 3gbz s ALA 32 N -1.75 -0.49 -0.19 0.59 0.00 -0.02 -0.67 121.76 119.22 3gbz s ALA 32 Ca 0.27 -0.69 -0.07 0.00 0.00 0.00 0.00 51.96 51.47 3gbz s ALA 32 Cb -0.09 0.99 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 3gbz s ALA 32 CO 0.18 -0.87 0.05 0.42 0.00 0.00 0.00 175.76 175.54 3gbz s ILE 33 N -3.98 4.64 -0.58 0.00 -1.09 0.12 -0.18 121.20 120.13 3gbz s ILE 33 Ca 0.18 -0.08 -0.24 0.00 -2.23 0.00 0.00 60.65 58.28 3gbz s ILE 33 Cb -0.01 -3.10 0.05 0.00 -1.58 0.00 0.00 42.46 37.82 3gbz s ILE 33 CO 0.07 0.45 0.98 -0.62 -1.23 0.00 0.00 174.94 174.58 3gbz s ASP 34 N 0.54 6.30 0.20 3.58 -1.08 0.58 -1.19 116.67 125.61 3gbz s ASP 34 Ca 0.03 -0.45 0.19 0.00 -0.52 0.00 0.00 52.55 51.79 3gbz s ASP 34 Cb -0.13 -2.45 0.86 0.00 -1.46 0.00 0.00 42.92 39.75 3gbz s ASP 34 CO 0.01 -1.32 1.59 0.35 0.52 0.00 0.00 175.17 176.32 3gbz n THR 35 N 6.18 1.02 0.12 1.71 -2.24 -0.58 0.15 114.28 120.64 3gbz n THR 35 Ca 0.01 0.37 -0.21 0.00 -2.27 0.00 0.00 64.05 61.96 3gbz n THR 35 Cb 0.47 -1.29 -0.14 0.00 -2.10 0.00 0.00 70.33 67.27 3gbz n THR 35 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3gbz h VAL 36 N 0.00 1.37 -0.00 2.28 2.07 -1.91 -3.33 116.25 116.73 3gbz h VAL 36 Ca 0.00 -2.81 0.00 0.00 0.82 0.00 0.00 66.70 64.71 3gbz h VAL 36 Cb 0.23 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 3gbz h VAL 36 CO 0.00 0.83 -0.56 0.35 0.02 0.00 0.00 177.57 178.22 3gbz n THR 37 N -3.65 0.00 -0.93 2.57 -2.24 -0.98 -4.99 114.28 104.06 3gbz n THR 37 Ca -0.13 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3gbz n THR 37 Cb 1.05 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 70.31 3gbz n THR 37 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3gbz n ASN 38 N -1.12 -4.78 -4.88 3.42 0.23 0.41 -4.99 115.26 103.54 3gbz n ASN 38 Ca 0.03 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.78 3gbz n ASN 38 Cb 0.22 -3.03 -0.03 0.00 -2.08 0.00 0.00 39.78 34.85 3gbz n ASN 38 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3gbz s GLU 39 N -1.65 3.73 0.14 -3.83 2.02 -1.17 -4.72 118.70 113.22 3gbz s GLU 39 Ca 0.00 0.35 -0.30 0.00 0.02 0.00 0.00 54.97 55.04 3gbz s GLU 39 Cb 0.00 -2.44 -0.07 0.00 0.10 0.00 0.00 34.13 31.72 3gbz s GLU 39 CO 0.00 0.01 1.07 0.99 0.02 0.00 0.00 175.26 177.35 3gbz s THR 40 N -2.34 4.07 0.31 3.63 2.01 -1.26 -0.31 115.64 121.75 3gbz s THR 40 Ca 0.49 1.72 0.05 0.00 0.31 0.00 0.00 61.69 64.27 3gbz s THR 40 Cb -0.10 -4.10 -0.06 0.00 0.01 0.00 0.00 72.50 68.24 3gbz s THR 40 CO 0.32 0.27 -0.00 0.68 -0.69 0.00 0.00 174.62 175.19 3gbz s VAL 41 N -0.01 1.47 -0.07 3.82 -7.23 0.75 -3.94 120.40 115.19 3gbz s VAL 41 Ca 0.50 -2.06 -0.01 0.00 -1.81 0.00 0.00 61.98 58.59 3gbz s VAL 41 Cb -0.28 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 3gbz s VAL 41 CO 0.33 -0.16 0.01 0.00 -0.31 0.00 0.00 175.10 174.97 3gbz s ALA 42 N -3.11 3.31 -0.12 1.32 0.00 0.11 -0.84 121.76 122.42 3gbz s ALA 42 Ca 0.33 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.49 3gbz s ALA 42 Cb 0.06 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.71 3gbz s ALA 42 CO 0.14 0.60 -0.22 0.42 0.00 0.00 0.00 175.76 176.70 3gbz s ILE 43 N -0.93 2.13 -0.20 0.00 1.01 0.69 -0.63 121.20 123.27 3gbz s ILE 43 Ca 0.15 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 3gbz s ILE 43 Cb -0.11 -1.83 -0.00 0.00 0.01 0.00 0.00 42.46 40.53 3gbz s ILE 43 CO 0.04 0.55 -0.10 -0.54 0.00 0.00 0.00 174.94 174.89 3gbz s LYS 44 N 0.53 3.26 -0.01 2.79 1.02 0.06 -0.24 119.74 127.15 3gbz s LYS 44 Ca -0.14 -0.70 -0.28 0.00 0.02 0.00 0.00 55.97 54.88 3gbz s LYS 44 Cb -0.17 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.28 3gbz s LYS 44 CO 0.05 -0.15 0.90 0.50 -0.92 0.00 0.00 175.35 175.73 3gbz s ARG 45 N 1.27 4.53 -0.46 1.68 3.52 -0.15 -1.00 118.95 128.35 3gbz s ARG 45 Ca 0.03 1.27 -0.12 0.00 -0.13 0.00 0.00 55.73 56.78 3gbz s ARG 45 Cb -0.14 -3.45 0.09 0.00 -1.56 0.00 0.00 34.95 29.89 3gbz s ARG 45 CO -0.05 -0.00 0.34 0.42 -0.81 0.00 0.00 175.30 175.20 3gbz s ILE 46 N 0.90 4.65 0.03 4.11 -1.09 -0.06 -3.15 121.20 126.60 3gbz s ILE 46 Ca 0.48 -1.36 -0.30 0.00 -2.23 0.00 0.00 60.65 57.23 3gbz s ILE 46 Cb -0.20 -3.87 -0.07 0.00 -1.58 0.00 0.00 42.46 36.74 3gbz s ILE 46 CO 0.25 -0.61 1.54 -0.13 -1.23 0.00 0.00 174.94 174.76 3gbz s ARG 47 N 1.50 4.24 0.44 2.79 1.81 0.41 -4.40 118.95 125.73 3gbz s ARG 47 Ca 0.04 2.16 0.04 0.00 -1.72 0.00 0.00 55.73 56.24 3gbz s ARG 47 Cb -0.25 -3.60 -0.04 0.00 -0.45 0.00 0.00 34.95 30.61 3gbz s ARG 47 CO 0.03 -0.67 0.03 -0.51 -0.68 0.00 0.00 175.30 173.51 3gbz s LEU 48 N 2.58 2.42 0.00 2.53 1.43 -1.26 -4.94 118.68 121.44 3gbz s LEU 48 Ca 0.69 -1.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 3gbz s LEU 48 Cb -0.36 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.22 3gbz s LEU 48 CO 0.29 -0.70 0.00 -0.62 0.23 0.00 0.00 176.35 175.55 3gbz n GLU 49 N -1.04 0.00 0.00 1.70 -0.58 -1.26 -5.19 120.64 114.27 3gbz n GLU 49 Ca -0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 3gbz n GLU 49 Cb 0.67 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.54 3gbz n GLU 49 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3gbz n HIS 50 N -1.37 0.00 0.00 -0.32 8.25 -1.26 -5.22 115.22 115.31 3gbz n HIS 50 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3gbz n HIS 50 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3gbz n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gbz n ALA 59 N -1.75 0.00 0.13 -1.41 0.00 -1.26 -5.32 120.51 110.90 3gbz n ALA 59 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 3gbz n ALA 59 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 3gbz n ALA 59 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3gbz h ILE 60 N 0.00 1.36 0.19 0.00 2.04 -1.98 -1.40 117.51 117.72 3gbz h ILE 60 Ca 0.00 -2.78 -0.00 0.00 1.00 0.00 0.00 64.86 63.07 3gbz h ILE 60 Cb 0.00 2.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 3gbz h ILE 60 CO 0.00 0.83 -0.13 -0.09 0.00 0.00 0.00 178.15 178.76 3gbz h ARG 61 N 0.14 -0.31 -0.27 2.37 9.65 -2.04 0.87 114.38 124.81 3gbz h ARG 61 Ca -0.20 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.73 3gbz h ARG 61 Cb 2.06 0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 30.68 3gbz h ARG 61 CO 0.25 -0.20 0.06 0.93 2.80 0.00 0.00 179.97 183.80 3gbz h GLU 62 N -0.32 0.15 -0.17 0.20 4.39 -1.98 -1.07 114.58 115.79 3gbz h GLU 62 Ca -0.01 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 3gbz h GLU 62 Cb 0.27 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3gbz h GLU 62 CO 0.01 0.10 -0.46 -0.24 -1.16 0.00 0.00 179.01 177.26 3gbz h VAL 63 N 0.16 1.32 0.00 3.13 3.04 -1.23 -2.81 116.25 119.86 3gbz h VAL 63 Ca 0.12 -1.65 -0.05 0.00 -1.01 0.00 0.00 66.70 64.11 3gbz h VAL 63 Cb 0.12 1.69 -0.01 0.00 -2.01 0.00 0.00 31.29 31.08 3gbz h VAL 63 CO -0.16 0.51 -0.22 0.28 -1.01 0.00 0.00 177.57 176.97 3gbz h SER 64 N 0.34 0.00 -0.01 3.17 0.02 0.20 -0.33 113.55 116.95 3gbz h SER 64 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3gbz h SER 64 Cb 0.94 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.48 3gbz h SER 64 CO 0.08 0.22 0.01 -0.07 -1.14 0.00 0.00 176.83 175.94 3gbz h LEU 65 N 0.00 0.00 -1.20 5.07 3.38 -0.96 -1.56 115.31 120.04 3gbz h LEU 65 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gbz h LEU 65 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3gbz h LEU 65 CO 0.03 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.49 3gbz h LEU 66 N 0.00 0.00 -2.32 1.67 3.38 -1.12 -1.91 115.31 115.00 3gbz h LEU 66 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3gbz h LEU 66 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3gbz h LEU 66 CO -0.00 0.00 -0.04 0.11 0.09 0.00 0.00 178.44 178.60 3gbz h LYS 67 N 0.00 0.00 0.00 1.13 1.57 -1.41 -1.15 116.57 116.71 3gbz h LYS 67 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gbz h LYS 67 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3gbz h LYS 67 CO 0.00 0.04 0.00 0.93 -0.57 0.00 0.00 179.45 179.85 3gbz h GLU 68 N 0.00 0.00 -5.73 3.15 5.08 -1.55 -3.39 114.58 112.15 3gbz h GLU 68 Ca -0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 3gbz h GLU 68 Cb 0.10 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 3gbz h GLU 68 CO 0.00 0.00 2.04 1.28 -1.00 0.00 0.00 179.01 181.33 3gbz n LEU 69 N -2.62 4.66 -4.27 1.33 4.77 -0.44 -4.88 117.00 115.56 3gbz n LEU 69 Ca 0.02 -3.79 -0.38 0.00 -0.03 0.00 0.00 56.01 51.83 3gbz n LEU 69 Cb 0.29 -1.74 -0.12 0.00 -2.33 0.00 0.00 43.42 39.52 3gbz n LEU 69 CO 0.24 -0.17 -0.23 -1.10 -1.33 0.00 0.00 177.39 174.79 3gbz s GLN 70 N 4.60 2.61 -0.19 3.23 -1.52 -1.26 -4.68 119.66 122.44 3gbz s GLN 70 Ca 0.56 -1.23 -0.27 0.00 -1.95 0.00 0.00 55.36 52.47 3gbz s GLN 70 Cb 0.04 -3.51 0.08 0.00 -0.22 0.00 0.00 33.01 29.39 3gbz s GLN 70 CO 0.09 -0.71 0.74 -1.58 -0.25 0.00 0.00 175.29 173.58 3gbz s HIS 71 N 1.40 -0.70 0.55 0.91 2.46 -1.26 -5.05 115.29 113.61 3gbz s HIS 71 Ca -0.01 1.53 0.24 0.00 0.47 0.00 0.00 55.06 57.29 3gbz s HIS 71 Cb -0.20 0.33 1.57 0.00 -0.13 0.00 0.00 32.58 34.15 3gbz s HIS 71 CO 0.03 -0.45 2.20 0.07 -2.47 0.00 0.00 174.74 174.12 3gbz h ARG 72 N 4.12 0.00 -0.63 2.88 0.11 -1.96 -0.69 114.38 118.21 3gbz h ARG 72 Ca -0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.80 3gbz h ARG 72 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 3gbz h ARG 72 CO 0.19 0.01 0.00 0.09 0.10 0.00 0.00 179.97 180.36 3gbz n ASN 73 N -4.13 5.18 -4.01 0.08 5.03 -1.26 -4.70 115.26 111.45 3gbz n ASN 73 Ca -0.03 -2.78 -0.24 0.00 0.87 0.00 0.00 54.58 52.41 3gbz n ASN 73 Cb 0.09 -0.65 -0.16 0.00 -1.02 0.00 0.00 39.78 38.04 3gbz n ASN 73 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3gbz s ILE 74 N -2.48 1.03 0.01 2.41 -1.09 -0.27 -1.09 121.20 119.72 3gbz s ILE 74 Ca 0.49 -0.43 -0.30 0.00 -2.23 0.00 0.00 60.65 58.19 3gbz s ILE 74 Cb 0.37 -0.95 -0.07 0.00 -1.58 0.00 0.00 42.46 40.23 3gbz s ILE 74 CO 0.16 0.33 1.72 -0.63 -1.23 0.00 0.00 174.94 175.29 3gbz s ILE 75 N 0.63 3.25 0.06 2.92 -1.09 0.06 -4.54 121.20 122.50 3gbz s ILE 75 Ca -0.13 0.47 -0.31 0.00 -2.23 0.00 0.00 60.65 58.46 3gbz s ILE 75 Cb -0.15 -3.30 -0.06 0.00 -1.58 0.00 0.00 42.46 37.37 3gbz s ILE 75 CO 0.03 -0.03 1.27 -0.70 -1.23 0.00 0.00 174.94 174.28 3gbz s GLU 76 N 3.62 4.38 -0.44 2.79 2.12 -1.26 -4.85 118.70 125.06 3gbz s GLU 76 Ca 0.77 1.86 -0.29 0.00 0.36 0.00 0.00 54.97 57.67 3gbz s GLU 76 Cb -0.38 -3.36 0.03 0.00 0.26 0.00 0.00 34.13 30.68 3gbz s GLU 76 CO 0.33 -0.35 1.13 -1.17 -0.54 0.00 0.00 175.26 174.66 3gbz s LEU 77 N 1.29 3.71 -0.08 2.70 2.96 -1.26 -0.76 118.68 127.24 3gbz s LEU 77 Ca 0.60 0.62 0.02 0.00 -0.22 0.00 0.00 54.13 55.15 3gbz s LEU 77 Cb -0.31 -3.55 -0.25 0.00 0.50 0.00 0.00 46.19 42.58 3gbz s LEU 77 CO 0.29 -1.16 0.53 0.11 -1.32 0.00 0.00 176.35 174.79 3gbz h LYS 78 N 8.95 0.15 -1.94 1.98 1.57 -0.13 -3.41 116.57 123.75 3gbz h LYS 78 Ca -0.22 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 3gbz h LYS 78 Cb 1.06 0.10 -0.21 0.00 0.08 0.00 0.00 32.23 33.26 3gbz h LYS 78 CO 1.10 0.90 0.21 0.45 -0.57 0.00 0.00 179.45 181.54 3gbz s SER 79 N -6.63 -0.66 -0.22 0.86 0.15 -1.04 -4.98 113.70 101.17 3gbz s SER 79 Ca -0.14 1.01 -0.03 0.00 0.70 0.00 0.00 55.95 57.50 3gbz s SER 79 Cb 0.07 0.93 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 3gbz s SER 79 CO 0.80 -0.41 -0.07 -0.69 1.20 0.00 0.00 173.24 174.07 3gbz s VAL 80 N -0.43 3.09 -0.20 4.45 1.01 -1.26 -0.65 120.40 126.41 3gbz s VAL 80 Ca -0.05 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 3gbz s VAL 80 Cb -0.02 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.93 3gbz s VAL 80 CO 0.05 0.38 -0.13 -0.63 0.00 0.00 0.00 175.10 174.77 3gbz s ILE 81 N 1.42 2.56 -0.43 2.22 1.01 0.73 -4.92 121.20 123.78 3gbz s ILE 81 Ca 0.04 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.90 3gbz s ILE 81 Cb -0.15 -2.15 0.12 0.00 0.01 0.00 0.00 42.46 40.30 3gbz s ILE 81 CO -0.05 0.45 0.18 -1.00 0.00 0.00 0.00 174.94 174.52 3gbz s HIS 82 N 1.35 3.08 -0.02 3.97 0.09 -1.26 -0.04 115.29 122.45 3gbz s HIS 82 Ca 0.04 -2.90 0.03 0.00 -0.00 0.00 0.00 55.06 52.24 3gbz s HIS 82 Cb -0.14 -2.63 -0.00 0.00 -0.00 0.00 0.00 32.58 29.80 3gbz s HIS 82 CO -0.09 -0.82 -0.12 -1.01 -0.00 0.00 0.00 174.74 172.69 3gbz s HIS 83 N 0.33 1.21 -1.52 1.40 4.02 -0.30 -4.81 115.29 115.61 3gbz s HIS 83 Ca 0.15 -0.29 -0.08 0.00 1.02 0.00 0.00 55.06 55.86 3gbz s HIS 83 Cb -0.23 -0.82 0.07 0.00 -1.02 0.00 0.00 32.58 30.58 3gbz s HIS 83 CO -0.04 -0.08 0.64 0.27 1.02 0.00 0.00 174.74 176.54 3gbz n ASN 84 N 3.05 -2.03 0.00 1.40 0.23 -1.26 -1.09 115.26 115.56 3gbz n ASN 84 Ca -0.17 -0.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.92 3gbz n ASN 84 Cb 0.54 -3.14 0.00 0.00 -2.08 0.00 0.00 39.78 35.10 3gbz n ASN 84 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gbz n HIS 85 N -4.43 0.00 -4.06 -2.53 -0.00 -1.26 -4.99 115.22 97.95 3gbz n HIS 85 Ca -0.13 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.33 3gbz n HIS 85 Cb 0.60 -1.31 -0.05 0.00 -0.00 0.00 0.00 29.99 29.23 3gbz n HIS 85 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3gbz s ARG 86 N -1.17 2.98 -0.11 -1.40 0.52 -0.25 -5.03 118.95 114.49 3gbz s ARG 86 Ca 0.00 -0.83 0.01 0.00 -0.52 0.00 0.00 55.73 54.39 3gbz s ARG 86 Cb 0.00 -2.69 0.02 0.00 0.52 0.00 0.00 34.95 32.79 3gbz s ARG 86 CO 0.00 0.49 -0.13 -1.17 0.02 0.00 0.00 175.30 174.51 3gbz s LEU 87 N -3.13 1.61 -0.01 2.53 2.96 -1.26 -1.15 118.68 120.22 3gbz s LEU 87 Ca 0.31 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 53.88 3gbz s LEU 87 Cb -0.10 -1.03 -0.01 0.00 0.50 0.00 0.00 46.19 45.55 3gbz s LEU 87 CO 0.24 -0.02 -0.18 -1.00 -1.32 0.00 0.00 176.35 174.07 3gbz s HIS 88 N 1.17 1.62 -0.14 5.38 3.76 0.95 -0.88 115.29 127.15 3gbz s HIS 88 Ca -0.03 -0.31 -0.03 0.00 -0.15 0.00 0.00 55.06 54.54 3gbz s HIS 88 Cb -0.14 -1.04 -0.03 0.00 1.11 0.00 0.00 32.58 32.48 3gbz s HIS 88 CO -0.04 -0.02 -0.03 -0.51 -0.85 0.00 0.00 174.74 173.29 3gbz s LEU 89 N -0.47 3.32 -0.25 0.89 1.43 -0.17 -0.20 118.68 123.24 3gbz s LEU 89 Ca 0.07 -0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.02 3gbz s LEU 89 Cb -0.07 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 3gbz s LEU 89 CO -0.01 0.22 0.10 -0.63 0.23 0.00 0.00 176.35 176.26 3gbz s ILE 90 N 0.04 4.62 0.22 -0.59 -1.09 0.18 -0.76 121.20 123.82 3gbz s ILE 90 Ca 0.01 -0.07 0.11 0.00 -2.23 0.00 0.00 60.65 58.46 3gbz s ILE 90 Cb -0.13 -3.16 -0.04 0.00 -1.58 0.00 0.00 42.46 37.54 3gbz s ILE 90 CO 0.02 0.34 -0.16 -0.36 -1.23 0.00 0.00 174.94 173.55 3gbz s PHE 91 N 1.44 2.45 0.23 3.97 0.08 0.20 0.65 117.98 127.00 3gbz s PHE 91 Ca 0.06 -0.29 -0.30 0.00 0.12 0.00 0.00 56.93 56.52 3gbz s PHE 91 Cb -0.15 -1.16 -0.15 0.00 -0.57 0.00 0.00 43.02 41.00 3gbz s PHE 91 CO 0.05 0.57 1.00 -1.91 -0.10 0.00 0.00 175.22 174.83 3gbz n GLU 92 N -0.15 1.09 -3.56 0.44 2.13 0.06 0.05 120.64 120.70 3gbz n GLU 92 Ca -0.09 0.38 -0.37 0.00 0.66 0.00 0.00 57.16 57.74 3gbz n GLU 92 Cb 0.57 -1.75 -0.06 0.00 0.27 0.00 0.00 31.44 30.47 3gbz n GLU 92 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3gbz s TYR 93 N -0.74 3.61 -0.07 4.31 5.04 -1.25 -4.39 117.35 123.86 3gbz s TYR 93 Ca 0.65 0.80 0.02 0.00 -2.44 0.00 0.00 57.07 56.09 3gbz s TYR 93 Cb -0.79 -2.27 0.02 0.00 0.35 0.00 0.00 41.96 39.27 3gbz s TYR 93 CO 0.57 0.50 -0.10 0.00 -1.34 0.00 0.00 175.55 175.18 3gbz s ALA 94 N -0.48 1.12 0.08 3.97 0.00 -1.26 -4.98 121.76 120.21 3gbz s ALA 94 Ca 0.20 -0.34 -0.21 0.00 0.00 0.00 0.00 51.96 51.62 3gbz s ALA 94 Cb -0.15 -0.57 -0.10 0.00 0.00 0.00 0.00 23.12 22.30 3gbz s ALA 94 CO 0.09 0.02 1.61 0.93 0.00 0.00 0.00 175.76 178.41 3gbz h GLU 95 N 7.17 0.24 -6.49 0.00 4.39 -1.98 -3.46 114.58 114.44 3gbz h GLU 95 Ca -0.32 -0.05 -0.44 0.00 0.34 0.00 0.00 59.36 58.89 3gbz h GLU 95 Cb 1.17 -0.04 0.02 0.00 -0.10 0.00 0.00 28.75 29.80 3gbz h GLU 95 CO 0.46 0.33 -0.23 1.21 -1.16 0.00 0.00 179.01 179.63 3gbz s ASN 96 N -5.57 5.76 0.14 1.42 2.47 -1.13 -4.97 114.94 113.07 3gbz s ASN 96 Ca -0.14 -0.15 -0.05 0.00 0.42 0.00 0.00 52.86 52.95 3gbz s ASN 96 Cb 0.07 -1.07 -0.02 0.00 -1.45 0.00 0.00 41.25 38.77 3gbz s ASN 96 CO 0.70 -0.67 0.16 1.51 -3.72 0.00 0.00 177.10 175.08 3gbz s ASP 97 N -4.27 0.18 0.17 -4.21 1.47 -1.26 -1.18 116.67 107.57 3gbz s ASP 97 Ca 0.50 -1.04 -0.13 0.00 1.18 0.00 0.00 52.55 53.06 3gbz s ASP 97 Cb -0.10 0.36 0.07 0.00 -0.34 0.00 0.00 42.92 42.91 3gbz s ASP 97 CO 0.34 -0.80 1.75 0.25 0.68 0.00 0.00 175.17 177.38 3gbz h LEU 98 N 2.72 0.75 -0.14 2.11 5.85 -0.31 0.31 115.31 126.59 3gbz h LEU 98 Ca -0.33 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.28 3gbz h LEU 98 Cb 1.21 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 3gbz h LEU 98 CO 0.54 0.68 -0.04 0.11 -0.34 0.00 0.00 178.44 179.38 3gbz h LYS 99 N 0.77 -0.01 -0.33 1.25 6.56 -1.84 0.91 116.57 123.88 3gbz h LYS 99 Ca 0.19 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.78 3gbz h LYS 99 Cb 0.13 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.78 3gbz h LYS 99 CO -0.02 -0.01 0.17 -0.22 -2.06 0.00 0.00 179.45 177.31 3gbz h LYS 100 N -0.01 0.46 -0.50 3.15 3.64 -1.82 -1.49 116.57 120.00 3gbz h LYS 100 Ca 0.07 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 3gbz h LYS 100 Cb 0.12 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 3gbz h LYS 100 CO -0.15 0.40 0.20 -0.92 -2.27 0.00 0.00 179.45 176.70 3gbz h TYR 101 N 0.40 0.35 -0.14 1.91 3.20 -0.75 -0.70 116.97 121.24 3gbz h TYR 101 Ca 0.11 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.89 3gbz h TYR 101 Cb 0.08 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 3gbz h TYR 101 CO -0.03 0.13 -0.42 0.52 -1.64 0.00 0.00 178.16 176.73 3gbz h MET 102 N 0.39 0.33 -0.46 1.82 2.86 -0.48 -0.91 114.93 118.48 3gbz h MET 102 Ca 0.23 -0.17 -0.10 0.00 -2.06 0.00 0.00 59.70 57.61 3gbz h MET 102 Cb 0.22 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3gbz h MET 102 CO -0.22 0.70 -0.10 -0.44 1.06 0.00 0.00 176.91 177.91 3gbz h ASP 103 N 0.28 0.89 1.76 1.22 3.32 -0.95 -3.19 116.42 119.74 3gbz h ASP 103 Ca 0.02 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3gbz h ASP 103 Cb 0.86 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3gbz h ASP 103 CO 0.07 1.04 -0.11 0.50 -1.72 0.00 0.00 179.24 179.02 3gbz h LYS 104 N 0.73 0.00 -2.13 3.56 3.64 -0.96 -3.40 116.57 118.01 3gbz h LYS 104 Ca 0.12 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.92 3gbz h LYS 104 Cb 0.65 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.06 3gbz h LYS 104 CO 0.04 0.00 -0.80 0.09 -2.27 0.00 0.00 179.45 176.52 3gbz n ASN 105 N -2.85 2.62 0.03 4.20 3.02 -0.36 -4.92 115.26 117.00 3gbz n ASN 105 Ca 0.04 -3.23 0.16 0.00 -0.03 0.00 0.00 54.58 51.52 3gbz n ASN 105 Cb 0.51 -0.64 0.65 0.00 -0.61 0.00 0.00 39.78 39.68 3gbz n ASN 105 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3gbz h PRO 106 N 3.84 0.07 -0.65 3.52 0.13 -1.78 -2.15 132.00 134.98 3gbz h PRO 106 Ca 0.14 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3gbz h PRO 106 Cb 0.72 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3gbz h PRO 106 CO 0.70 0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 178.27 3gbz n ASP 107 N -4.43 4.40 -4.58 1.44 8.00 -1.26 -4.99 116.55 115.13 3gbz n ASP 107 Ca 0.07 -2.57 -0.47 0.00 0.71 0.00 0.00 54.79 52.53 3gbz n ASP 107 Cb 0.47 -0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 40.95 3gbz n ASP 107 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3gbz n VAL 108 N 0.67 1.26 -1.89 2.53 3.14 -0.81 -4.90 118.33 118.33 3gbz n VAL 108 Ca 0.22 -0.32 -0.32 0.00 -2.96 0.00 0.00 64.34 60.96 3gbz n VAL 108 Cb 0.89 -0.90 0.03 0.00 -1.06 0.00 0.00 33.84 32.79 3gbz n VAL 108 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3gbz s SER 109 N -0.18 5.58 0.41 6.55 1.04 -1.26 -4.91 113.70 120.91 3gbz s SER 109 Ca 0.68 1.80 0.08 0.00 0.48 0.00 0.00 55.95 58.99 3gbz s SER 109 Cb -0.80 -2.53 0.85 0.00 0.10 0.00 0.00 66.02 63.65 3gbz s SER 109 CO 0.54 -1.31 2.02 -0.03 0.98 0.00 0.00 173.24 175.44 3gbz h MET 110 N 0.10 0.44 -0.64 4.02 4.05 -2.00 -1.95 114.93 118.95 3gbz h MET 110 Ca -0.46 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 58.90 3gbz h MET 110 Cb 1.22 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.90 3gbz h MET 110 CO 0.57 0.35 0.34 -0.09 0.23 0.00 0.00 176.91 178.31 3gbz h ARG 111 N 0.44 0.90 -0.26 0.39 2.43 -1.92 -0.27 114.38 116.10 3gbz h ARG 111 Ca 0.11 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3gbz h ARG 111 Cb 0.07 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3gbz h ARG 111 CO -0.01 0.69 0.13 0.28 -1.51 0.00 0.00 179.97 179.55 3gbz h VAL 112 N 0.88 1.14 -0.41 0.20 2.07 -1.77 0.31 116.25 118.67 3gbz h VAL 112 Ca 0.22 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.38 3gbz h VAL 112 Cb 0.06 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 3gbz h VAL 112 CO -0.03 0.14 0.18 0.40 0.02 0.00 0.00 177.57 178.28 3gbz h ILE 113 N 0.29 0.93 -0.27 4.57 2.04 -1.04 0.04 117.51 124.07 3gbz h ILE 113 Ca 0.09 -0.13 -0.11 0.00 1.00 0.00 0.00 64.86 65.72 3gbz h ILE 113 Cb 0.11 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3gbz h ILE 113 CO -0.01 0.07 -0.28 0.50 0.00 0.00 0.00 178.15 178.42 3gbz h LYS 114 N 0.37 0.55 -0.02 2.37 3.64 -0.91 0.04 116.57 122.62 3gbz h LYS 114 Ca 0.18 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3gbz h LYS 114 Cb 0.12 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3gbz h LYS 114 CO -0.15 0.78 0.01 0.77 -2.27 0.00 0.00 179.45 178.59 3gbz h SER 115 N 0.48 0.02 -0.71 4.20 0.02 -0.54 -0.78 113.55 116.24 3gbz h SER 115 Ca 0.06 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 3gbz h SER 115 Cb 0.74 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.22 3gbz h SER 115 CO 0.06 0.03 0.44 -0.26 -1.14 0.00 0.00 176.83 175.96 3gbz h PHE 116 N 0.01 0.81 -0.15 3.45 0.04 -0.62 -0.94 116.94 119.53 3gbz h PHE 116 Ca 0.01 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3gbz h PHE 116 Cb 0.02 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 37.89 3gbz h PHE 116 CO -0.07 0.45 0.06 1.25 -0.60 0.00 0.00 178.31 179.40 3gbz h LEU 117 N 0.84 0.21 -0.32 1.54 5.85 -0.86 0.39 115.31 122.97 3gbz h LEU 117 Ca 0.29 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.88 3gbz h LEU 117 Cb 0.05 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3gbz h LEU 117 CO -0.12 0.32 0.13 0.22 -0.34 0.00 0.00 178.44 178.64 3gbz h TYR 118 N 0.10 0.23 -0.94 1.25 3.20 -0.80 -1.14 116.97 118.87 3gbz h TYR 118 Ca 0.05 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.95 3gbz h TYR 118 Cb 0.17 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 3gbz h TYR 118 CO -0.01 0.11 0.62 1.96 -1.64 0.00 0.00 178.16 179.20 3gbz h GLN 119 N 0.28 1.22 -0.10 1.82 4.20 -0.97 0.37 115.11 121.93 3gbz h GLN 119 Ca 0.14 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 3gbz h GLN 119 Cb 0.09 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.58 3gbz h GLN 119 CO -0.12 0.81 0.05 1.25 -0.67 0.00 0.00 178.83 180.14 3gbz h LEU 120 N 1.26 0.14 -0.76 1.46 5.85 -0.45 -0.51 115.31 122.31 3gbz h LEU 120 Ca 0.35 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3gbz h LEU 120 Cb -0.13 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3gbz h LEU 120 CO -0.08 0.24 0.25 0.40 -0.34 0.00 0.00 178.44 178.91 3gbz h ILE 121 N 0.03 1.26 -0.42 4.05 2.04 -0.88 -0.90 117.51 122.69 3gbz h ILE 121 Ca 0.03 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 3gbz h ILE 121 Cb 0.14 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 3gbz h ILE 121 CO -0.00 0.35 0.21 -1.13 0.00 0.00 0.00 178.15 177.58 3gbz h ASN 122 N 1.12 0.55 -0.44 1.72 -1.24 0.02 0.19 115.58 117.50 3gbz h ASN 122 Ca 0.25 -0.12 -0.02 0.00 0.71 0.00 0.00 56.30 57.11 3gbz h ASN 122 Cb 0.29 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 3gbz h ASN 122 CO -0.01 0.52 0.19 1.23 -1.29 0.00 0.00 177.43 178.06 3gbz h GLY 123 N 0.54 0.70 0.97 1.57 0.00 -0.93 -1.71 103.07 104.21 3gbz h GLY 123 Ca 0.15 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 3gbz h GLY 123 CO -0.02 0.35 0.22 -2.08 0.00 0.00 0.00 176.54 175.01 3gbz h VAL 124 N 0.57 1.19 -0.82 4.60 2.07 -0.80 -1.91 116.25 121.16 3gbz h VAL 124 Ca 0.15 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.20 3gbz h VAL 124 Cb 0.17 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 3gbz h VAL 124 CO -0.01 0.21 0.49 -1.13 0.02 0.00 0.00 177.57 177.14 3gbz h ASN 125 N 0.62 0.75 -0.45 0.57 -1.24 -0.46 0.18 115.58 115.54 3gbz h ASN 125 Ca 0.16 0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.21 3gbz h ASN 125 Cb 0.13 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.03 3gbz h ASN 125 CO -0.02 0.46 0.29 0.15 -1.29 0.00 0.00 177.43 177.02 3gbz h PHE 126 N 0.87 0.54 -0.24 0.67 3.57 -0.90 0.71 116.94 122.16 3gbz h PHE 126 Ca 0.37 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.79 3gbz h PHE 126 Cb 0.22 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 3gbz h PHE 126 CO -0.05 0.33 -0.21 0.00 -2.23 0.00 0.00 178.31 176.15 3gbz h HIS 128 N 0.28 0.89 0.00 0.00 3.86 -0.44 -0.08 115.15 119.67 3gbz h HIS 128 Ca 0.04 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 3gbz h HIS 128 Cb 0.76 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.93 3gbz h HIS 128 CO 0.07 0.54 -0.04 0.66 0.86 0.00 0.00 177.93 180.02 3gbz h SER 129 N 0.94 0.00 -0.60 2.45 4.64 -0.66 -1.52 113.55 118.79 3gbz h SER 129 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3gbz h SER 129 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3gbz h SER 129 CO -0.07 0.04 0.00 0.54 -0.87 0.00 0.00 176.83 176.47 3gbz n ARG 130 N -3.27 4.00 -3.68 4.77 3.00 -0.21 -4.95 116.66 116.32 3gbz n ARG 130 Ca -0.01 -2.95 -0.27 0.00 -0.01 0.00 0.00 57.85 54.61 3gbz n ARG 130 Cb 0.21 -1.98 0.04 0.00 0.00 0.00 0.00 32.46 30.73 3gbz n ARG 130 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 3gbz n ARG 131 N 0.89 -5.97 -4.05 5.56 0.00 -0.57 -4.99 116.66 107.54 3gbz n ARG 131 Ca 0.26 0.69 -0.34 0.00 -0.00 0.00 0.00 57.85 58.46 3gbz n ARG 131 Cb 0.97 -5.61 -0.15 0.00 -0.00 0.00 0.00 32.46 27.66 3gbz n ARG 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3gbz s LEU 133 N 1.33 4.31 -0.11 0.00 1.02 -1.26 -3.24 118.68 120.72 3gbz s LEU 133 Ca 0.04 0.30 -0.05 0.00 0.02 0.00 0.00 54.13 54.43 3gbz s LEU 133 Cb -0.14 -3.03 -0.02 0.00 0.02 0.00 0.00 46.19 43.02 3gbz s LEU 133 CO -0.09 0.05 -0.11 -0.74 0.02 0.00 0.00 176.35 175.48 3gbz h HIS 134 N 2.37 0.00 0.00 0.29 2.76 -1.95 -2.71 115.15 115.91 3gbz h HIS 134 Ca -0.47 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 3gbz h HIS 134 Cb 1.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.14 3gbz h HIS 134 CO 0.56 0.00 0.00 0.54 -1.30 0.00 0.00 177.93 177.73 3gbz n ARG 135 N -4.33 0.00 -2.73 5.26 1.74 -1.26 -4.39 116.66 110.95 3gbz n ARG 135 Ca -0.04 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.99 3gbz n ARG 135 Cb 0.16 -0.98 0.04 0.00 -1.02 0.00 0.00 32.46 30.66 3gbz n ARG 135 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3gbz n ASP 136 N 0.00 1.29 -4.75 0.55 2.03 -1.26 -5.01 116.55 109.41 3gbz n ASP 136 Ca 0.00 -2.42 -0.41 0.00 0.52 0.00 0.00 54.79 52.48 3gbz n ASP 136 Cb 0.00 -0.42 -0.02 0.00 -0.72 0.00 0.00 41.12 39.96 3gbz n ASP 136 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3gbz s LEU 137 N -3.42 4.39 0.18 -2.67 1.43 -1.26 -4.92 118.68 112.41 3gbz s LEU 137 Ca 0.26 2.70 -0.22 0.00 -1.03 0.00 0.00 54.13 55.84 3gbz s LEU 137 Cb 0.40 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 43.05 3gbz s LEU 137 CO -0.00 -0.69 0.61 -1.59 0.23 0.00 0.00 176.35 174.91 3gbz s LYS 138 N -0.73 1.38 0.45 1.70 -2.85 -1.26 -4.82 119.74 113.61 3gbz s LYS 138 Ca 0.57 -0.61 0.19 0.00 -1.00 0.00 0.00 55.97 55.12 3gbz s LYS 138 Cb -0.42 0.58 1.15 0.00 -2.06 0.00 0.00 37.83 37.09 3gbz s LYS 138 CO 0.46 -0.61 1.92 -1.35 0.10 0.00 0.00 175.35 175.88 3gbz h PRO 139 N 2.03 0.30 0.00 1.78 0.11 -1.94 -0.97 132.00 133.30 3gbz h PRO 139 Ca -0.31 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 3gbz h PRO 139 Cb 1.29 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3gbz h PRO 139 CO 0.35 0.20 -0.04 1.96 -0.21 0.00 0.00 178.00 180.25 3gbz h GLN 140 N 0.30 0.00 -0.49 1.05 7.50 -1.97 -1.46 115.11 120.04 3gbz h GLN 140 Ca 0.36 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.51 3gbz h GLN 140 Cb 0.98 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.51 3gbz h GLN 140 CO -0.10 0.04 0.00 0.27 -1.50 0.00 0.00 178.83 177.55 3gbz n ASN 141 N -4.06 4.99 -4.24 1.46 0.23 -0.37 -4.72 115.26 108.56 3gbz n ASN 141 Ca -0.03 -2.85 -0.42 0.00 -0.53 0.00 0.00 54.58 50.75 3gbz n ASN 141 Cb 0.13 -0.61 -0.07 0.00 -2.08 0.00 0.00 39.78 37.15 3gbz n ASN 141 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3gbz s LEU 142 N -2.58 5.91 0.37 -4.53 1.43 -0.55 -0.18 118.68 118.55 3gbz s LEU 142 Ca 0.50 -2.10 -0.05 0.00 -1.03 0.00 0.00 54.13 51.45 3gbz s LEU 142 Cb 0.37 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 3gbz s LEU 142 CO 0.15 -0.68 0.66 -0.76 0.23 0.00 0.00 176.35 175.95 3gbz s LEU 143 N 1.09 3.89 -0.06 1.79 1.43 0.10 0.20 118.68 127.12 3gbz s LEU 143 Ca 0.08 0.80 0.01 0.00 -1.03 0.00 0.00 54.13 54.00 3gbz s LEU 143 Cb -0.24 -3.68 0.02 0.00 0.03 0.00 0.00 46.19 42.32 3gbz s LEU 143 CO -0.01 -0.36 -0.08 -0.76 0.23 0.00 0.00 176.35 175.37 3gbz s LEU 144 N -4.08 1.43 -0.06 1.79 1.43 -0.33 -0.74 118.68 118.12 3gbz s LEU 144 Ca 0.45 -0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.40 3gbz s LEU 144 Cb -0.10 -0.63 -0.01 0.00 0.03 0.00 0.00 46.19 45.48 3gbz s LEU 144 CO 0.35 -0.03 -0.22 -0.55 0.23 0.00 0.00 176.35 176.13 3gbz s SER 145 N 0.89 2.79 0.00 2.29 0.15 -0.24 -2.83 113.70 116.75 3gbz s SER 145 Ca -0.11 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.07 3gbz s SER 145 Cb -0.15 -0.84 0.00 0.00 -1.71 0.00 0.00 66.02 63.32 3gbz s SER 145 CO 0.01 0.20 0.00 0.52 1.20 0.00 0.00 173.24 175.17 3gbz n VAL 146 N 3.09 0.00 -0.58 4.45 0.31 -1.26 -0.83 118.33 123.51 3gbz n VAL 146 Ca -0.18 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 63.95 3gbz n VAL 146 Cb 0.52 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.44 3gbz n VAL 146 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 3gbz n THR 152 N 0.00 0.83 -1.65 2.52 5.66 -1.26 -5.06 114.28 115.31 3gbz n THR 152 Ca 0.00 -0.21 -0.34 0.00 -3.05 0.00 0.00 64.05 60.46 3gbz n THR 152 Cb 0.00 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 68.84 3gbz n THR 152 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 3gbz s PRO 153 N -0.41 2.57 -0.19 1.09 0.02 -1.26 -5.00 135.00 131.80 3gbz s PRO 153 Ca 0.27 1.54 -0.18 0.00 0.02 0.00 0.00 61.00 62.65 3gbz s PRO 153 Cb -0.38 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.19 3gbz s PRO 153 CO 0.23 -1.46 0.48 0.08 -0.33 0.00 0.00 177.00 176.00 3gbz s VAL 154 N -2.18 5.14 0.01 3.83 1.01 -0.01 -4.86 120.40 123.34 3gbz s VAL 154 Ca 0.70 0.88 -0.25 0.00 0.00 0.00 0.00 61.98 63.31 3gbz s VAL 154 Cb -0.24 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 3gbz s VAL 154 CO 0.42 0.21 0.75 -0.22 0.00 0.00 0.00 175.10 176.26 3gbz s LEU 155 N 1.46 4.41 -0.06 3.92 0.20 -1.26 -1.08 118.68 126.26 3gbz s LEU 155 Ca 0.23 1.37 0.00 0.00 0.69 0.00 0.00 54.13 56.42 3gbz s LEU 155 Cb -0.15 -3.19 0.02 0.00 -0.43 0.00 0.00 46.19 42.44 3gbz s LEU 155 CO 0.09 -0.03 -0.04 -0.54 -0.29 0.00 0.00 176.35 175.54 3gbz s LYS 156 N 0.24 0.87 -0.08 1.98 1.02 0.08 -4.31 119.74 119.53 3gbz s LYS 156 Ca 0.39 -0.08 -0.27 0.00 0.02 0.00 0.00 55.97 56.03 3gbz s LYS 156 Cb -0.20 -0.95 -0.02 0.00 -0.52 0.00 0.00 37.83 36.14 3gbz s LYS 156 CO 0.22 -0.15 0.86 0.42 -0.92 0.00 0.00 175.35 175.78 3gbz s ILE 157 N 1.22 4.91 0.10 2.17 1.01 -0.25 -0.72 121.20 129.64 3gbz s ILE 157 Ca -0.06 1.76 -0.00 0.00 0.00 0.00 0.00 60.65 62.35 3gbz s ILE 157 Cb -0.14 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 3gbz s ILE 157 CO -0.02 0.12 0.26 -0.83 0.00 0.00 0.00 174.94 174.48 3gbz s GLY 158 N 1.00 2.07 0.00 6.18 0.00 0.75 -0.76 107.32 116.56 3gbz s GLY 158 Ca 0.43 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.32 3gbz s GLY 158 CO 0.19 -0.81 0.00 1.22 0.00 0.00 0.00 173.10 173.70 3gbz n ASP 159 N 0.02 -2.81 -4.73 1.64 8.00 -1.26 -4.87 116.55 112.55 3gbz n ASP 159 Ca -0.05 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.03 3gbz n ASP 159 Cb 0.52 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 41.14 3gbz n ASP 159 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gbz n PHE 160 N -2.94 2.59 0.00 1.24 3.72 -1.26 -2.33 117.46 118.48 3gbz n PHE 160 Ca 0.00 0.44 0.00 0.00 -0.05 0.00 0.00 57.45 57.84 3gbz n PHE 160 Cb 0.00 -2.49 0.00 0.00 -0.94 0.00 0.00 39.48 36.05 3gbz n PHE 160 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gbz n GLY 161 N 1.15 2.94 0.17 1.37 0.00 -1.02 -4.88 105.19 104.92 3gbz n GLY 161 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 3gbz n GLY 161 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gbz h LEU 162 N 0.00 0.54 -1.09 0.99 3.38 -1.75 -2.13 115.31 115.25 3gbz h LEU 162 Ca 0.00 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.60 3gbz h LEU 162 Cb 0.00 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3gbz h LEU 162 CO 0.00 1.18 0.61 0.00 0.09 0.00 0.00 178.44 180.32 3gbz h ALA 163 N 0.79 1.39 -0.04 1.53 0.00 -1.76 -1.66 119.26 119.51 3gbz h ALA 163 Ca -0.06 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 3gbz h ALA 163 Cb 1.48 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.94 3gbz h ALA 163 CO 0.15 0.53 -0.70 -0.09 0.00 0.00 0.00 179.25 179.14 3gbz h ARG 164 N 1.19 0.54 0.00 0.00 2.43 -1.83 -1.26 114.38 115.45 3gbz h ARG 164 Ca 0.37 -0.53 -0.05 0.00 -0.81 0.00 0.00 59.98 58.96 3gbz h ARG 164 Cb -0.02 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3gbz h ARG 164 CO -0.11 1.16 -0.25 0.00 -1.51 0.00 0.00 179.97 179.27 3gbz h ALA 165 N 0.39 1.42 0.00 2.80 0.00 -0.97 -3.32 119.26 119.58 3gbz h ALA 165 Ca -0.08 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3gbz h ALA 165 Cb 1.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3gbz h ALA 165 CO 0.14 0.31 0.00 1.19 0.00 0.00 0.00 179.25 180.89 3gbz n PHE 166 N -3.99 0.00 -1.80 0.00 0.99 -0.66 -4.91 117.46 107.09 3gbz n PHE 166 Ca -0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.45 57.40 3gbz n PHE 166 Cb 0.32 -0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 38.79 3gbz n PHE 166 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3gbz n GLY 167 N -0.02 -4.15 0.00 1.37 0.00 -0.48 -5.04 105.19 96.88 3gbz n GLY 167 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3gbz n GLY 167 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gbz n THR 179 N 0.83 0.00 1.32 2.61 -2.24 -1.26 -4.74 114.28 110.80 3gbz n THR 179 Ca -0.09 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.82 3gbz n THR 179 Cb 0.14 0.00 0.40 0.00 -2.10 0.00 0.00 70.33 68.77 3gbz n THR 179 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gbz n LEU 180 N 0.00 1.92 0.28 3.22 4.77 -1.26 -4.57 117.00 121.36 3gbz n LEU 180 Ca 0.00 -0.67 0.14 0.00 -0.03 0.00 0.00 56.01 55.45 3gbz n LEU 180 Cb 0.00 -0.02 0.80 0.00 -2.33 0.00 0.00 43.42 41.87 3gbz n LEU 180 CO 0.00 0.33 1.02 -0.50 -1.33 0.00 0.00 177.39 176.91 3gbz h TRP 181 N 2.93 0.00 -0.28 -1.77 6.55 -1.87 -1.69 115.95 119.82 3gbz h TRP 181 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3gbz h TRP 181 Cb 0.62 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.92 3gbz h TRP 181 CO 0.02 0.08 0.00 0.66 -1.05 0.00 0.00 178.44 178.15 3gbz n TYR 182 N -3.59 0.37 -3.15 0.49 4.01 -1.26 -4.61 117.16 109.42 3gbz n TYR 182 Ca -0.02 -0.41 -0.39 0.00 -0.16 0.00 0.00 57.90 56.92 3gbz n TYR 182 Cb 0.20 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.16 3gbz n TYR 182 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3gbz s ARG 183 N -0.98 4.36 0.63 -0.72 3.52 -0.64 -4.00 118.95 121.12 3gbz s ARG 183 Ca 0.21 0.81 -0.10 0.00 -0.13 0.00 0.00 55.73 56.52 3gbz s ARG 183 Cb 0.11 -3.35 -0.02 0.00 -1.56 0.00 0.00 34.95 30.14 3gbz s ARG 183 CO 0.15 0.34 1.01 -1.25 -0.81 0.00 0.00 175.30 174.74 3gbz s PRO 184 N -0.14 3.30 0.47 5.12 0.04 -1.26 -4.87 135.00 137.66 3gbz s PRO 184 Ca 0.33 0.52 0.17 0.00 0.04 0.00 0.00 61.00 62.06 3gbz s PRO 184 Cb -0.19 -2.12 1.13 0.00 0.04 0.00 0.00 34.50 33.36 3gbz s PRO 184 CO 0.18 -0.68 2.02 -1.00 0.04 0.00 0.00 177.00 177.57 3gbz h PRO 185 N -0.34 0.00 -0.14 0.56 0.13 -1.96 -2.32 132.00 127.92 3gbz h PRO 185 Ca -0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 3gbz h PRO 185 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3gbz h PRO 185 CO 0.62 0.16 -0.32 1.05 -0.23 0.00 0.00 178.00 179.28 3gbz h GLU 186 N 0.00 0.27 -0.05 0.86 9.09 -1.93 0.99 114.58 123.81 3gbz h GLU 186 Ca -0.00 -0.11 -0.15 0.00 0.05 0.00 0.00 59.36 59.15 3gbz h GLU 186 Cb 0.30 -0.01 0.01 0.00 -1.65 0.00 0.00 28.75 27.39 3gbz h GLU 186 CO 0.02 0.57 -0.56 0.82 0.05 0.00 0.00 179.01 179.90 3gbz h ILE 187 N 0.24 1.39 -0.50 -1.06 1.08 -1.69 0.24 117.51 117.20 3gbz h ILE 187 Ca 0.03 -1.95 0.03 0.00 -0.39 0.00 0.00 64.86 62.58 3gbz h ILE 187 Cb 0.69 2.39 -0.03 0.00 -3.07 0.00 0.00 36.82 36.80 3gbz h ILE 187 CO 0.05 0.58 0.34 -0.07 -0.69 0.00 0.00 178.15 178.35 3gbz h LEU 188 N 0.02 0.49 -0.62 1.44 3.38 -1.18 -0.53 115.31 118.32 3gbz h LEU 188 Ca -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3gbz h LEU 188 Cb 1.24 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3gbz h LEU 188 CO 0.11 0.34 0.00 0.18 0.09 0.00 0.00 178.44 179.16 3gbz n LEU 189 N -4.47 0.92 0.00 1.67 4.77 0.32 -4.89 117.00 115.31 3gbz n LEU 189 Ca 0.06 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 3gbz n LEU 189 Cb 0.14 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3gbz n LEU 189 CO 0.35 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3gbz n GLY 190 N 0.88 0.70 3.77 -0.72 0.00 -0.20 -1.01 105.19 108.60 3gbz n GLY 190 Ca 0.11 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 3gbz n GLY 190 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gbz s SER 191 N -2.31 6.71 0.00 1.61 0.15 0.05 -4.57 113.70 115.35 3gbz s SER 191 Ca 0.00 2.60 0.24 0.00 0.70 0.00 0.00 55.95 59.49 3gbz s SER 191 Cb 0.00 -2.64 0.21 0.00 -1.71 0.00 0.00 66.02 61.88 3gbz s SER 191 CO 0.00 -0.57 1.22 -2.11 1.20 0.00 0.00 173.24 172.98 3gbz n ARG 192 N 0.63 0.92 -3.14 5.44 0.00 -1.26 -4.58 116.66 114.67 3gbz n ARG 192 Ca 0.01 -0.70 -0.42 0.00 -0.00 0.00 0.00 57.85 56.73 3gbz n ARG 192 Cb 0.43 -1.49 -0.07 0.00 -0.00 0.00 0.00 32.46 31.33 3gbz n ARG 192 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 3gbz s HIS 193 N -2.57 3.11 -0.28 2.89 5.65 -1.26 -5.03 115.29 117.80 3gbz s HIS 193 Ca 0.19 0.06 -0.18 0.00 0.25 0.00 0.00 55.06 55.37 3gbz s HIS 193 Cb 0.18 -3.22 -0.02 0.00 -1.18 0.00 0.00 32.58 28.34 3gbz s HIS 193 CO 0.60 -0.76 0.53 0.71 -0.65 0.00 0.00 174.74 175.17 3gbz s TYR 194 N 2.70 3.25 0.41 3.88 2.02 -1.26 -4.94 117.35 123.42 3gbz s TYR 194 Ca 0.22 0.58 0.07 0.00 -0.37 0.00 0.00 57.07 57.58 3gbz s TYR 194 Cb -0.14 -2.78 -0.04 0.00 -0.40 0.00 0.00 41.96 38.59 3gbz s TYR 194 CO 0.17 -0.34 0.24 -1.54 -1.57 0.00 0.00 175.55 172.52 3gbz s SER 195 N 1.58 4.62 0.45 2.29 1.04 -1.26 -4.99 113.70 117.43 3gbz s SER 195 Ca 0.22 -0.97 0.28 0.00 0.48 0.00 0.00 55.95 55.96 3gbz s SER 195 Cb -0.15 -0.51 1.35 0.00 0.10 0.00 0.00 66.02 66.80 3gbz s SER 195 CO 0.10 -0.57 1.71 0.71 0.98 0.00 0.00 173.24 176.16 3gbz h THR 196 N 1.30 0.31 -0.29 2.02 1.35 -1.98 -0.33 112.91 115.30 3gbz h THR 196 Ca -0.42 -0.06 0.08 0.00 -0.55 0.00 0.00 66.41 65.46 3gbz h THR 196 Cb 1.26 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 3gbz h THR 196 CO 0.66 0.03 0.26 0.28 -0.25 0.00 0.00 175.52 176.50 3gbz h SER 197 N 0.18 0.00 -0.63 5.36 0.02 -1.92 -1.27 113.55 115.29 3gbz h SER 197 Ca 0.70 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.70 3gbz h SER 197 Cb 2.20 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.69 3gbz h SER 197 CO -0.28 0.00 0.36 0.58 -1.14 0.00 0.00 176.83 176.35 3gbz h VAL 198 N 0.00 0.99 -0.07 2.27 2.07 -1.43 -2.38 116.25 117.70 3gbz h VAL 198 Ca 0.14 -0.23 -0.15 0.00 0.82 0.00 0.00 66.70 67.27 3gbz h VAL 198 Cb 0.65 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3gbz h VAL 198 CO -0.00 0.12 -0.62 0.44 0.02 0.00 0.00 177.57 177.53 3gbz h ASP 199 N 0.68 0.30 -0.65 0.57 3.32 -1.41 -2.84 116.42 116.40 3gbz h ASP 199 Ca 0.28 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3gbz h ASP 199 Cb 0.14 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3gbz h ASP 199 CO -0.16 0.85 0.25 0.40 -1.72 0.00 0.00 179.24 178.86 3gbz h ILE 200 N 0.19 1.24 -0.30 0.35 1.08 -1.33 -0.58 117.51 118.16 3gbz h ILE 200 Ca -0.01 -0.75 0.06 0.00 -0.39 0.00 0.00 64.86 63.76 3gbz h ILE 200 Cb 1.14 0.52 -0.05 0.00 -3.07 0.00 0.00 36.82 35.36 3gbz h ILE 200 CO 0.10 0.30 -0.02 -0.25 -0.69 0.00 0.00 178.15 177.58 3gbz h TRP 201 N 0.92 -0.06 -0.74 1.37 2.91 -1.30 -1.80 115.95 117.24 3gbz h TRP 201 Ca 0.22 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.25 3gbz h TRP 201 Cb 0.22 0.07 -0.04 0.00 -0.51 0.00 0.00 29.16 28.90 3gbz h TRP 201 CO 0.01 -0.08 0.43 0.77 -1.03 0.00 0.00 178.44 178.54 3gbz h SER 202 N 0.06 0.91 -0.35 2.65 0.02 -1.22 -1.52 113.55 114.09 3gbz h SER 202 Ca 0.14 -0.08 0.06 0.00 -0.84 0.00 0.00 61.79 61.07 3gbz h SER 202 Cb 0.20 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.46 3gbz h SER 202 CO -0.27 0.73 0.05 0.40 -1.14 0.00 0.00 176.83 176.60 3gbz h ILE 203 N 1.02 0.80 -0.85 3.27 2.04 -0.68 -0.24 117.51 122.86 3gbz h ILE 203 Ca 0.26 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 66.09 3gbz h ILE 203 Cb 0.00 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 3gbz h ILE 203 CO -0.05 0.03 0.55 0.00 0.00 0.00 0.00 178.15 178.69 3gbz h ALA 204 N 1.28 1.10 -0.70 1.87 0.00 -0.81 0.18 119.26 122.18 3gbz h ALA 204 Ca 0.17 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3gbz h ALA 204 Cb 0.21 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3gbz h ALA 204 CO -0.24 0.42 0.19 0.00 0.00 0.00 0.00 179.25 179.62 3gbz h ILE 206 N 1.06 1.26 -0.25 0.00 2.04 -0.55 -2.15 117.51 118.93 3gbz h ILE 206 Ca 0.22 -0.91 0.03 0.00 1.00 0.00 0.00 64.86 65.21 3gbz h ILE 206 Cb 0.34 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 3gbz h ILE 206 CO -0.00 0.28 0.04 -0.25 0.00 0.00 0.00 178.15 178.22 3gbz h TRP 207 N 0.19 0.06 -0.87 1.37 7.01 -0.44 -0.55 115.95 122.73 3gbz h TRP 207 Ca 0.07 0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.16 3gbz h TRP 207 Cb 0.42 0.01 -0.07 0.00 -2.10 0.00 0.00 29.16 27.42 3gbz h TRP 207 CO 0.04 0.01 0.53 0.00 -2.79 0.00 0.00 178.44 176.22 3gbz h ALA 208 N 1.19 1.22 -0.33 2.65 0.00 -0.92 -1.52 119.26 121.55 3gbz h ALA 208 Ca 0.11 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3gbz h ALA 208 Cb 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3gbz h ALA 208 CO -0.16 0.21 -0.28 1.49 0.00 0.00 0.00 179.25 180.51 3gbz h GLU 209 N 0.92 0.70 -0.63 0.00 4.81 -1.07 0.20 114.58 119.50 3gbz h GLU 209 Ca 0.40 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3gbz h GLU 209 Cb 0.28 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3gbz h GLU 209 CO -0.21 0.90 0.34 0.52 -0.73 0.00 0.00 179.01 179.83 3gbz h MET 210 N 0.60 0.87 0.10 1.92 2.86 -0.10 0.33 114.93 121.51 3gbz h MET 210 Ca 0.07 -0.09 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 3gbz h MET 210 Cb 0.79 -0.18 0.01 0.00 0.06 0.00 0.00 31.60 32.28 3gbz h MET 210 CO 0.06 0.64 -0.61 -0.07 1.06 0.00 0.00 176.91 178.00 3gbz h LEU 211 N 0.88 0.33 0.00 1.22 3.38 -1.05 -3.36 115.31 116.71 3gbz h LEU 211 Ca 0.22 -0.96 -0.05 0.00 0.09 0.00 0.00 57.88 57.19 3gbz h LEU 211 Cb 0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3gbz h LEU 211 CO -0.04 1.29 -0.62 0.24 0.09 0.00 0.00 178.44 179.40 3gbz h MET 212 N -0.55 0.00 -1.25 1.13 2.86 -0.53 -3.48 114.93 113.11 3gbz h MET 212 Ca -0.11 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.22 3gbz h MET 212 Cb 1.47 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 33.04 3gbz h MET 212 CO 0.11 0.14 -0.33 1.63 1.06 0.00 0.00 176.91 179.52 3gbz n LYS 213 N -2.96 -1.14 -3.64 1.72 4.76 0.12 -4.98 118.16 112.04 3gbz n LYS 213 Ca 0.00 0.95 -0.15 0.00 -2.87 0.00 0.00 58.31 56.24 3gbz n LYS 213 Cb 0.62 -5.18 -0.07 0.00 -1.84 0.00 0.00 35.03 28.57 3gbz n LYS 213 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3gbz s THR 214 N -2.65 0.03 0.48 -0.18 -1.32 -1.24 -5.06 115.64 105.71 3gbz s THR 214 Ca 0.00 -0.29 -0.23 0.00 -1.21 0.00 0.00 61.69 59.97 3gbz s THR 214 Cb 0.00 -0.84 -0.07 0.00 -1.51 0.00 0.00 72.50 70.08 3gbz s THR 214 CO 0.00 -0.16 1.25 -2.84 -2.21 0.00 0.00 174.62 170.66 3gbz s PRO 215 N -1.61 3.57 0.11 7.08 0.02 -1.26 -4.23 135.00 138.68 3gbz s PRO 215 Ca -0.10 1.98 -0.15 0.00 0.02 0.00 0.00 61.00 62.74 3gbz s PRO 215 Cb -0.02 -2.40 -0.04 0.00 0.02 0.00 0.00 34.50 32.06 3gbz s PRO 215 CO 0.04 -0.77 1.54 1.25 -0.33 0.00 0.00 177.00 178.74 3gbz h LEU 216 N 1.92 0.66 -6.63 -5.54 5.85 -1.89 -3.37 115.31 106.30 3gbz h LEU 216 Ca -0.50 -0.33 -0.60 0.00 0.84 0.00 0.00 57.88 57.29 3gbz h LEU 216 Cb 1.27 -0.18 -0.40 0.00 0.37 0.00 0.00 40.66 41.72 3gbz h LEU 216 CO 0.59 0.83 -0.77 0.49 -0.34 0.00 0.00 178.44 179.25 3gbz n PHE 217 N -4.45 1.46 -2.62 1.25 3.72 -1.26 -4.99 117.46 110.57 3gbz n PHE 217 Ca -0.02 -3.87 -0.43 0.00 -0.05 0.00 0.00 57.45 53.09 3gbz n PHE 217 Cb 0.30 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 3gbz n PHE 217 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3gbz n PRO 218 N 2.11 3.62 -1.97 -1.08 -0.04 -1.26 -4.48 135.00 131.89 3gbz n PRO 218 Ca 0.25 -3.75 -0.33 0.00 -0.04 0.00 0.00 63.50 59.63 3gbz n PRO 218 Cb 0.42 -2.91 0.02 0.00 -0.04 0.00 0.00 33.50 30.99 3gbz n PRO 218 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3gbz s GLY 219 N 1.25 2.13 -0.01 0.55 0.00 -1.26 -4.97 107.32 105.00 3gbz s GLY 219 Ca 0.39 0.43 0.06 0.00 0.00 0.00 0.00 44.72 45.61 3gbz s GLY 219 CO 0.01 0.76 1.14 2.09 0.00 0.00 0.00 173.10 177.10 3gbz n ASP 220 N -2.13 2.51 -3.68 1.64 5.68 -1.26 -4.79 116.55 114.52 3gbz n ASP 220 Ca 0.09 -2.08 -0.05 0.00 -0.50 0.00 0.00 54.79 52.25 3gbz n ASP 220 Cb 0.53 -0.14 -0.02 0.00 -1.14 0.00 0.00 41.12 40.35 3gbz n ASP 220 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3gbz s SER 221 N -1.11 -0.24 0.19 -1.12 1.04 -1.26 -4.97 113.70 106.23 3gbz s SER 221 Ca 0.13 -0.29 -0.12 0.00 0.48 0.00 0.00 55.95 56.15 3gbz s SER 221 Cb 0.08 0.47 0.13 0.00 0.10 0.00 0.00 66.02 66.80 3gbz s SER 221 CO 0.08 -0.84 1.85 -0.33 0.98 0.00 0.00 173.24 174.97 3gbz h GLU 222 N 2.00 0.79 -0.36 4.02 5.08 -1.95 0.19 114.58 124.35 3gbz h GLU 222 Ca -0.24 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 57.93 3gbz h GLU 222 Cb 1.24 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 3gbz h GLU 222 CO 0.27 0.52 -0.33 0.82 -1.00 0.00 0.00 179.01 179.29 3gbz h ILE 223 N 0.82 1.28 -0.36 3.13 2.04 -1.97 -1.69 117.51 120.76 3gbz h ILE 223 Ca 0.24 -1.50 -0.05 0.00 1.00 0.00 0.00 64.86 64.54 3gbz h ILE 223 Cb -0.05 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3gbz h ILE 223 CO -0.07 0.50 -0.01 -0.78 0.00 0.00 0.00 178.15 177.79 3gbz h ASP 224 N 0.65 0.53 -0.15 1.72 3.58 -1.84 0.12 116.42 121.02 3gbz h ASP 224 Ca 0.06 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 3gbz h ASP 224 Cb 0.92 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 3gbz h ASP 224 CO 0.08 0.61 0.08 -0.61 -2.88 0.00 0.00 179.24 176.52 3gbz h GLN 225 N 0.54 0.22 -1.00 0.28 5.75 -0.47 -0.74 115.11 119.69 3gbz h GLN 225 Ca 0.11 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.59 3gbz h GLN 225 Cb 0.36 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.82 3gbz h GLN 225 CO 0.01 0.25 0.65 -0.07 -2.65 0.00 0.00 178.83 177.02 3gbz h LEU 226 N 0.13 1.15 -0.87 -2.39 3.38 -0.81 -1.84 115.31 114.07 3gbz h LEU 226 Ca 0.05 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3gbz h LEU 226 Cb 0.10 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3gbz h LEU 226 CO -0.01 0.84 0.33 -0.26 0.09 0.00 0.00 178.44 179.43 3gbz h PHE 227 N 1.36 1.17 -0.64 1.13 -1.00 -0.62 0.12 116.94 118.46 3gbz h PHE 227 Ca 0.36 -0.08 -0.04 0.00 2.81 0.00 0.00 57.97 61.02 3gbz h PHE 227 Cb -0.14 -0.35 -0.03 0.00 3.61 0.00 0.00 35.95 39.03 3gbz h PHE 227 CO 0.00 0.88 0.23 0.87 -1.61 0.00 0.00 178.31 178.67 3gbz h LYS 228 N 1.13 0.98 0.06 1.51 1.79 -0.73 0.20 116.57 121.51 3gbz h LYS 228 Ca 0.26 -0.20 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3gbz h LYS 228 Cb 0.19 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 3gbz h LYS 228 CO -0.03 0.85 -0.03 0.82 -1.08 0.00 0.00 179.45 179.98 3gbz h ILE 229 N 0.92 1.17 -0.41 1.86 2.04 -0.81 -3.08 117.51 119.20 3gbz h ILE 229 Ca 0.21 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 3gbz h ILE 229 Cb 0.25 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 3gbz h ILE 229 CO -0.01 0.20 0.12 -0.26 0.00 0.00 0.00 178.15 178.20 3gbz h PHE 230 N -0.44 0.60 -0.85 1.37 0.04 -0.60 0.60 116.94 117.66 3gbz h PHE 230 Ca -0.01 -0.03 0.15 0.00 2.80 0.00 0.00 57.97 60.88 3gbz h PHE 230 Cb 0.39 -0.18 -0.10 0.00 2.20 0.00 0.00 35.95 38.26 3gbz h PHE 230 CO 0.04 0.50 0.43 0.93 -0.60 0.00 0.00 178.31 179.61 3gbz h GLU 231 N 0.59 0.58 0.09 1.51 5.08 -0.56 0.34 114.58 122.21 3gbz h GLU 231 Ca 0.14 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.24 3gbz h GLU 231 Cb 0.19 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3gbz h GLU 231 CO -0.01 0.38 -1.15 0.28 -1.00 0.00 0.00 179.01 177.51 3gbz h VAL 232 N 0.59 1.17 -0.00 3.13 2.07 -1.26 0.21 116.25 122.17 3gbz h VAL 232 Ca 0.47 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.60 3gbz h VAL 232 Cb 0.69 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 3gbz h VAL 232 CO -0.38 0.65 -0.88 0.18 0.02 0.00 0.00 177.57 177.16 3gbz n LEU 233 N -4.09 0.97 0.00 2.57 4.77 0.12 -0.52 117.00 120.82 3gbz n LEU 233 Ca -0.23 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 3gbz n LEU 233 Cb 0.82 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 3gbz n LEU 233 CO 0.39 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3gbz n GLY 234 N 1.45 0.80 3.70 -0.72 0.00 0.12 -4.75 105.19 105.79 3gbz n GLY 234 Ca 0.04 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 3gbz n GLY 234 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gbz s LEU 235 N -1.17 4.34 0.84 0.99 2.96 0.08 -4.51 118.68 122.21 3gbz s LEU 235 Ca 0.00 1.82 -0.11 0.00 -0.22 0.00 0.00 54.13 55.62 3gbz s LEU 235 Cb 0.00 -3.57 0.10 0.00 0.50 0.00 0.00 46.19 43.22 3gbz s LEU 235 CO 0.00 -0.43 1.09 -2.16 -1.32 0.00 0.00 176.35 173.53 3gbz s PRO 236 N 1.39 1.67 0.27 0.98 0.04 -1.26 -4.92 135.00 133.17 3gbz s PRO 236 Ca 0.55 1.04 0.06 0.00 0.04 0.00 0.00 61.00 62.69 3gbz s PRO 236 Cb -0.25 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 3gbz s PRO 236 CO 0.26 -2.02 0.21 -0.40 0.04 0.00 0.00 177.00 175.10 3gbz n ASP 237 N -3.76 -0.36 0.00 6.66 5.68 -1.26 -5.00 116.55 118.50 3gbz n ASP 237 Ca 0.08 -2.74 0.10 0.00 -0.50 0.00 0.00 54.79 51.73 3gbz n ASP 237 Cb 0.54 1.27 0.48 0.00 -1.14 0.00 0.00 41.12 42.27 3gbz n ASP 237 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3gbz n ASP 238 N -1.92 0.00 -0.08 -1.12 8.00 -1.26 -0.53 116.55 119.64 3gbz n ASP 238 Ca 0.05 0.27 -0.17 0.00 0.71 0.00 0.00 54.79 55.64 3gbz n ASP 238 Cb 0.48 -0.40 -0.12 0.00 -0.02 0.00 0.00 41.12 41.06 3gbz n ASP 238 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3gbz h THR 239 N 0.00 1.38 0.00 -3.53 2.02 -1.97 -3.05 112.91 107.76 3gbz h THR 239 Ca 0.00 -2.25 -0.07 0.00 0.77 0.00 0.00 66.41 64.87 3gbz h THR 239 Cb 0.28 2.82 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 3gbz h THR 239 CO 0.00 0.47 -0.31 0.71 0.37 0.00 0.00 175.52 176.75 3gbz h THR 240 N -1.00 1.08 -1.77 3.16 1.35 -1.91 -3.38 112.91 110.45 3gbz h THR 240 Ca -0.15 -1.13 -0.38 0.00 -0.55 0.00 0.00 66.41 64.20 3gbz h THR 240 Cb 1.12 1.63 -0.28 0.00 -1.73 0.00 0.00 68.15 68.88 3gbz h THR 240 CO -0.09 0.31 -0.74 0.86 -0.25 0.00 0.00 175.52 175.60 3gbz s TRP 241 N -4.15 -0.18 0.02 4.73 -0.11 0.31 -4.63 118.94 114.92 3gbz s TRP 241 Ca -0.02 -1.40 -0.35 0.00 1.22 0.00 0.00 56.10 55.54 3gbz s TRP 241 Cb 0.14 -0.36 -0.14 0.00 -1.50 0.00 0.00 33.47 31.62 3gbz s TRP 241 CO 0.69 -1.02 1.67 -2.30 -4.62 0.00 0.00 176.95 171.37 3gbz n PRO 242 N 3.12 1.92 -0.08 5.86 -0.02 -1.15 -0.86 135.00 143.79 3gbz n PRO 242 Ca 0.22 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3gbz n PRO 242 Cb 0.51 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3gbz n PRO 242 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gbz n GLY 243 N 3.71 0.63 0.35 -1.23 0.00 -1.26 -4.96 105.19 102.43 3gbz n GLY 243 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 3gbz n GLY 243 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3gbz h VAL 244 N 0.00 1.22 0.00 1.61 3.04 -1.29 -1.61 116.25 119.21 3gbz h VAL 244 Ca 0.00 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 3gbz h VAL 244 Cb 0.00 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.33 3gbz h VAL 244 CO 0.00 0.22 0.00 0.35 -1.01 0.00 0.00 177.57 177.13 3gbz n THR 245 N -4.39 0.42 0.87 3.17 -2.24 -1.26 -1.87 114.28 108.98 3gbz n THR 245 Ca 0.09 0.11 0.12 0.00 -2.27 0.00 0.00 64.05 62.09 3gbz n THR 245 Cb 0.04 -0.72 0.25 0.00 -2.10 0.00 0.00 70.33 67.80 3gbz n THR 245 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gbz n ALA 246 N -1.45 2.47 -1.78 6.98 0.00 -0.61 -4.83 120.51 121.29 3gbz n ALA 246 Ca 0.07 -0.73 -0.34 0.00 0.00 0.00 0.00 53.44 52.43 3gbz n ALA 246 Cb 0.24 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 3gbz n ALA 246 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gbz s LEU 247 N -1.75 3.80 0.40 0.00 1.43 -0.78 -4.92 118.68 116.85 3gbz s LEU 247 Ca 0.34 1.95 0.10 0.00 -1.03 0.00 0.00 54.13 55.49 3gbz s LEU 247 Cb 0.21 -4.56 0.89 0.00 0.03 0.00 0.00 46.19 42.76 3gbz s LEU 247 CO 0.30 -0.88 1.96 -0.65 0.23 0.00 0.00 176.35 177.32 3gbz h PRO 248 N 1.41 0.56 -0.33 1.29 0.11 -1.77 -2.02 132.00 131.25 3gbz h PRO 248 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3gbz h PRO 248 Cb 1.23 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3gbz h PRO 248 CO 0.59 0.37 0.00 -0.25 -0.21 0.00 0.00 178.00 178.50 3gbz n ASP 249 N -4.48 4.07 -4.76 -2.05 8.00 -0.18 -4.96 116.55 112.18 3gbz n ASP 249 Ca 0.11 -2.88 -0.41 0.00 0.71 0.00 0.00 54.79 52.32 3gbz n ASP 249 Cb 0.33 -0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 40.88 3gbz n ASP 249 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3gbz s TRP 250 N -2.59 2.86 -0.18 1.24 -0.11 -0.76 -4.92 118.94 114.49 3gbz s TRP 250 Ca 0.42 1.12 -0.00 0.00 1.22 0.00 0.00 56.10 58.86 3gbz s TRP 250 Cb 0.33 -3.88 0.00 0.00 -1.50 0.00 0.00 33.47 28.42 3gbz s TRP 250 CO 0.11 -2.71 -0.14 0.15 -4.62 0.00 0.00 176.95 169.74 3gbz s LYS 251 N -1.23 3.19 0.62 5.86 1.02 -1.26 -4.99 119.74 122.96 3gbz s LYS 251 Ca 0.56 -0.74 0.35 0.00 0.02 0.00 0.00 55.97 56.15 3gbz s LYS 251 Cb -0.44 -2.69 2.02 0.00 -0.52 0.00 0.00 37.83 36.20 3gbz s LYS 251 CO 0.52 -0.09 2.27 -0.56 -0.92 0.00 0.00 175.35 176.57 3gbz h GLN 252 N 7.66 0.00 -0.33 1.68 -0.00 -1.96 -1.82 115.11 120.34 3gbz h GLN 252 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.27 3gbz h GLN 252 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.65 3gbz h GLN 252 CO 0.60 0.00 0.00 -1.13 -0.00 0.00 0.00 178.83 178.30 3gbz n SER 253 N -3.52 2.08 -4.67 0.06 3.41 -1.26 -4.94 113.62 104.78 3gbz n SER 253 Ca -0.02 -1.90 -0.41 0.00 -0.26 0.00 0.00 58.87 56.27 3gbz n SER 253 Cb 0.12 -0.22 0.01 0.00 -0.26 0.00 0.00 64.21 63.87 3gbz n SER 253 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3gbz n PHE 254 N 0.61 1.73 -1.76 7.33 3.72 -0.69 -4.89 117.46 123.52 3gbz n PHE 254 Ca 0.15 0.52 -0.38 0.00 -0.05 0.00 0.00 57.45 57.68 3gbz n PHE 254 Cb 0.35 -2.31 0.05 0.00 -0.94 0.00 0.00 39.48 36.63 3gbz n PHE 254 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3gbz s PRO 255 N -2.19 2.99 -1.46 -1.08 0.02 -1.26 -4.85 135.00 127.16 3gbz s PRO 255 Ca 0.63 2.21 -0.10 0.00 0.02 0.00 0.00 61.00 63.76 3gbz s PRO 255 Cb -0.52 -2.16 0.03 0.00 0.02 0.00 0.00 34.50 31.88 3gbz s PRO 255 CO 0.57 -1.30 2.47 1.63 -0.33 0.00 0.00 177.00 180.03 3gbz n LYS 256 N -1.25 3.68 -1.85 5.54 4.76 -1.26 -4.78 118.16 122.99 3gbz n LYS 256 Ca 0.12 -2.81 -0.42 0.00 -2.87 0.00 0.00 58.31 52.33 3gbz n LYS 256 Cb 0.46 -2.91 -0.02 0.00 -1.84 0.00 0.00 35.03 30.72 3gbz n LYS 256 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3gbz s PHE 257 N 1.38 2.89 -0.04 2.13 0.08 -1.26 -4.87 117.98 118.30 3gbz s PHE 257 Ca 0.55 0.75 0.05 0.00 0.12 0.00 0.00 56.93 58.40 3gbz s PHE 257 Cb 0.16 -4.00 -0.25 0.00 -0.57 0.00 0.00 43.02 38.37 3gbz s PHE 257 CO -0.06 -3.45 0.69 0.00 -0.10 0.00 0.00 175.22 172.29 3gbz h ARG 258 N 5.52 0.11 0.00 0.44 3.08 -1.88 0.26 114.38 121.90 3gbz h ARG 258 Ca -0.45 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.41 3gbz h ARG 258 Cb 1.21 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3gbz h ARG 258 CO 0.84 0.82 0.00 0.41 -1.07 0.00 0.00 179.97 180.96 3gbz n GLY 259 N 1.66 2.41 0.26 0.04 0.00 -1.26 -4.08 105.19 104.22 3gbz n GLY 259 Ca -0.19 -1.15 0.08 0.00 0.00 0.00 0.00 46.02 44.77 3gbz n GLY 259 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gbz h LYS 260 N 0.00 0.00 0.00 1.61 1.57 -0.29 -3.46 116.57 116.00 3gbz h LYS 260 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gbz h LYS 260 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3gbz h LYS 260 CO 0.00 0.02 0.00 0.25 -0.57 0.00 0.00 179.45 179.15 3gbz n THR 261 N -4.49 -0.79 -0.22 -0.16 -2.24 0.32 -4.27 114.28 102.43 3gbz n THR 261 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3gbz n THR 261 Cb 0.11 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 68.57 3gbz n THR 261 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3gbz h LEU 262 N 0.00 0.88 -0.22 3.22 3.38 -1.95 -1.85 115.31 118.76 3gbz h LEU 262 Ca 0.00 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3gbz h LEU 262 Cb 0.00 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 3gbz h LEU 262 CO 0.00 0.64 -0.12 0.50 0.09 0.00 0.00 178.44 179.55 3gbz h LYS 263 N 1.03 -0.10 -0.95 1.13 3.64 -1.94 -0.54 116.57 118.84 3gbz h LYS 263 Ca 0.28 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 3gbz h LYS 263 Cb -0.11 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 3gbz h LYS 263 CO -0.06 -0.07 0.62 0.00 -2.27 0.00 0.00 179.45 177.67 3gbz h ARG 264 N -0.10 1.26 -0.12 1.90 3.08 -1.61 0.14 114.38 118.92 3gbz h ARG 264 Ca 0.12 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 3gbz h ARG 264 Cb 0.28 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3gbz h ARG 264 CO -0.28 0.84 -0.26 0.28 -1.07 0.00 0.00 179.97 179.48 3gbz h VAL 265 N 1.29 1.38 0.00 2.04 2.07 -0.53 -3.41 116.25 119.09 3gbz h VAL 265 Ca 0.35 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.33 3gbz h VAL 265 Cb -0.13 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3gbz h VAL 265 CO -0.07 0.45 -0.21 0.00 0.02 0.00 0.00 177.57 177.76 3gbz n LEU 266 N -4.45 0.00 0.27 2.57 -0.00 -0.29 -4.86 117.00 110.24 3gbz n LEU 266 Ca -0.07 -0.47 0.11 0.00 -0.00 0.00 0.00 56.01 55.58 3gbz n LEU 266 Cb 0.45 0.00 0.74 0.00 -0.00 0.00 0.00 43.42 44.60 3gbz n LEU 266 CO 0.41 0.16 1.06 1.23 -0.00 0.00 0.00 177.39 180.25 3gbz h GLY 267 N 0.00 0.00 2.00 1.47 0.00 -0.67 0.31 103.07 106.19 3gbz h GLY 267 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gbz h GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3gbz h ALA 268 N 1.96 1.00 -0.01 3.60 0.00 -1.89 -3.22 119.26 120.70 3gbz h ALA 268 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gbz h ALA 268 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3gbz h ALA 268 CO 0.00 0.00 -0.69 1.28 0.00 0.00 0.00 179.25 179.84 3gbz n LEU 269 N -2.97 1.58 -3.91 0.00 4.77 0.11 -4.96 117.00 111.62 3gbz n LEU 269 Ca -0.01 -0.65 -0.13 0.00 -0.03 0.00 0.00 56.01 55.18 3gbz n LEU 269 Cb 0.15 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.10 3gbz n LEU 269 CO 0.21 0.32 -0.38 -0.22 -1.33 0.00 0.00 177.39 176.00 3gbz s LEU 270 N -2.69 2.01 1.21 2.23 2.96 -1.22 -5.07 118.68 118.12 3gbz s LEU 270 Ca 0.14 -0.06 -0.19 0.00 -0.22 0.00 0.00 54.13 53.81 3gbz s LEU 270 Cb 0.17 -0.11 0.29 0.00 0.50 0.00 0.00 46.19 47.04 3gbz s LEU 270 CO 0.69 0.02 1.08 1.51 -1.32 0.00 0.00 176.35 178.33 3gbz s ASP 271 N -0.10 0.86 0.18 3.68 1.47 -1.26 -4.72 116.67 116.78 3gbz s ASP 271 Ca 0.00 0.76 -0.12 0.00 1.18 0.00 0.00 52.55 54.37 3gbz s ASP 271 Cb -0.01 -1.09 0.10 0.00 -0.34 0.00 0.00 42.92 41.58 3gbz s ASP 271 CO -0.00 -4.17 1.78 0.44 0.68 0.00 0.00 175.17 173.89 3gbz h ASP 272 N -2.61 0.82 -0.44 2.11 3.32 -1.99 -1.10 116.42 116.53 3gbz h ASP 272 Ca -0.47 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 56.37 3gbz h ASP 272 Cb 1.31 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 3gbz h ASP 272 CO 0.37 0.71 -0.07 -0.33 -1.72 0.00 0.00 179.24 178.20 3gbz h GLU 273 N 0.88 0.89 -0.39 3.56 5.08 -1.99 -0.86 114.58 121.75 3gbz h GLU 273 Ca 0.22 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3gbz h GLU 273 Cb 0.10 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3gbz h GLU 273 CO -0.03 0.93 0.13 0.78 -1.00 0.00 0.00 179.01 179.82 3gbz h GLY 274 N 0.98 0.64 1.04 -3.84 0.00 -1.82 -1.60 103.07 98.46 3gbz h GLY 274 Ca 0.14 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 3gbz h GLY 274 CO 0.04 0.35 0.41 -2.00 0.00 0.00 0.00 176.54 175.33 3gbz h LEU 275 N 0.48 1.12 -0.19 3.11 5.85 -0.96 -0.79 115.31 123.93 3gbz h LEU 275 Ca 0.13 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3gbz h LEU 275 Cb 0.24 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3gbz h LEU 275 CO -0.01 0.95 0.07 -0.78 -0.34 0.00 0.00 178.44 178.33 3gbz h ASP 276 N 1.22 0.09 -0.17 1.25 3.58 -0.80 -0.78 116.42 120.81 3gbz h ASP 276 Ca 0.29 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.76 3gbz h ASP 276 Cb 0.12 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 3gbz h ASP 276 CO -0.04 0.08 0.11 0.25 -2.88 0.00 0.00 179.24 176.76 3gbz h LEU 277 N 0.17 0.18 -0.78 2.28 5.85 -1.04 -1.77 115.31 120.20 3gbz h LEU 277 Ca 0.08 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3gbz h LEU 277 Cb 0.04 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3gbz h LEU 277 CO -0.08 0.13 0.51 0.25 -0.34 0.00 0.00 178.44 178.91 3gbz h LEU 278 N 0.22 0.90 -1.15 2.25 5.85 -0.98 -1.34 115.31 121.06 3gbz h LEU 278 Ca 0.07 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3gbz h LEU 278 Cb -0.01 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3gbz h LEU 278 CO -0.03 0.66 0.55 0.74 -0.34 0.00 0.00 178.44 180.02 3gbz h THR 279 N 1.06 1.22 -0.10 1.05 2.02 -0.95 -0.63 112.91 116.58 3gbz h THR 279 Ca 0.28 -0.42 -0.11 0.00 0.77 0.00 0.00 66.41 66.93 3gbz h THR 279 Cb -0.11 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.28 3gbz h THR 279 CO -0.06 0.22 -0.43 0.00 0.37 0.00 0.00 175.52 175.62 3gbz h ALA 280 N 1.45 1.08 0.00 6.16 0.00 -0.53 -2.46 119.26 124.96 3gbz h ALA 280 Ca 0.31 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3gbz h ALA 280 Cb -0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3gbz h ALA 280 CO -0.06 0.60 -0.13 0.52 0.00 0.00 0.00 179.25 180.18 3gbz h MET 281 N 0.20 0.00 -0.58 0.00 2.07 -0.58 -1.61 114.93 114.43 3gbz h MET 281 Ca 0.02 0.00 -0.26 0.00 -2.07 0.00 0.00 59.70 57.39 3gbz h MET 281 Cb 0.85 0.00 -0.16 0.00 -1.87 0.00 0.00 31.60 30.42 3gbz h MET 281 CO 0.07 0.11 0.19 1.28 1.07 0.00 0.00 176.91 179.62 3gbz n LEU 282 N -3.12 5.12 -4.74 1.22 4.77 -0.31 -4.04 117.00 115.91 3gbz n LEU 282 Ca 0.03 -3.56 -0.42 0.00 -0.03 0.00 0.00 56.01 52.03 3gbz n LEU 282 Cb 0.58 -0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 3gbz n LEU 282 CO 0.36 1.07 1.28 -1.61 -1.33 0.00 0.00 177.39 177.15 3gbz s GLU 283 N -3.18 4.13 0.11 3.23 0.41 -1.06 -4.90 118.70 117.44 3gbz s GLU 283 Ca 0.49 2.56 -0.07 0.00 -0.41 0.00 0.00 54.97 57.55 3gbz s GLU 283 Cb 0.42 -3.05 -0.15 0.00 -1.78 0.00 0.00 34.13 29.58 3gbz s GLU 283 CO 0.06 -0.66 1.26 0.52 -0.49 0.00 0.00 175.26 175.95 3gbz h MET 284 N 5.54 0.46 -6.27 1.61 2.86 -1.92 -3.41 114.93 113.80 3gbz h MET 284 Ca -0.46 -0.52 -0.56 0.00 -2.06 0.00 0.00 59.70 56.10 3gbz h MET 284 Cb 1.21 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 33.00 3gbz h MET 284 CO 0.85 1.17 1.06 0.34 1.06 0.00 0.00 176.91 181.39 3gbz s ASP 285 N -7.15 6.56 0.55 1.22 -1.08 -1.26 -4.64 116.67 110.87 3gbz s ASP 285 Ca -0.07 1.66 0.23 0.00 -0.52 0.00 0.00 52.55 53.85 3gbz s ASP 285 Cb 0.08 -2.53 1.51 0.00 -1.46 0.00 0.00 42.92 40.52 3gbz s ASP 285 CO 0.88 -1.10 2.17 1.55 0.52 0.00 0.00 175.17 179.19 3gbz h PRO 286 N 9.92 0.00 0.00 4.34 0.13 -1.97 0.10 132.00 144.53 3gbz h PRO 286 Ca -0.32 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 3gbz h PRO 286 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 3gbz h PRO 286 CO 0.99 0.00 -0.12 -0.39 -0.23 0.00 0.00 178.00 178.26 3gbz h VAL 287 N 0.00 0.30 -0.01 1.56 -1.51 -1.94 -2.40 116.25 112.25 3gbz h VAL 287 Ca 0.02 -0.82 0.00 0.00 -1.23 0.00 0.00 66.70 64.67 3gbz h VAL 287 Cb 0.10 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 3gbz h VAL 287 CO -0.00 0.11 -0.19 0.29 -1.23 0.00 0.00 177.57 176.56 3gbz n LYS 288 N -3.26 1.11 -2.53 5.19 5.02 0.01 -4.92 118.16 118.78 3gbz n LYS 288 Ca 0.00 -0.67 -0.41 0.00 -2.02 0.00 0.00 58.31 55.22 3gbz n LYS 288 Cb 0.37 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.85 3gbz n LYS 288 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3gbz s ARG 289 N -2.35 4.58 0.32 1.97 3.52 -0.91 -4.86 118.95 121.23 3gbz s ARG 289 Ca 0.28 1.69 -0.28 0.00 -0.13 0.00 0.00 55.73 57.29 3gbz s ARG 289 Cb 0.20 -3.30 -0.13 0.00 -1.56 0.00 0.00 34.95 30.16 3gbz s ARG 289 CO 0.46 0.05 1.23 1.51 -0.81 0.00 0.00 175.30 177.75 3gbz n ILE 290 N 2.61 1.94 -2.30 4.11 3.06 -0.61 -4.97 119.36 123.21 3gbz n ILE 290 Ca 0.03 -0.49 -0.33 0.00 -2.50 0.00 0.00 62.75 59.47 3gbz n ILE 290 Cb 0.47 -1.44 -0.02 0.00 0.54 0.00 0.00 39.64 39.19 3gbz n ILE 290 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 3gbz s SER 291 N -0.33 6.20 0.27 9.51 1.04 -1.26 -4.87 113.70 124.26 3gbz s SER 291 Ca 0.57 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.77 3gbz s SER 291 Cb -0.60 -2.53 0.57 0.00 0.10 0.00 0.00 66.02 63.55 3gbz s SER 291 CO 0.61 -0.88 1.76 0.00 0.98 0.00 0.00 173.24 175.72 3gbz h ALA 292 N 0.91 1.35 -0.01 5.32 0.00 -1.93 0.39 119.26 125.29 3gbz h ALA 292 Ca -0.48 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.52 3gbz h ALA 292 Cb 1.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3gbz h ALA 292 CO 0.59 -0.08 -0.02 -0.22 0.00 0.00 0.00 179.25 179.52 3gbz h LYS 293 N 0.65 -0.03 -0.23 0.00 3.64 -1.92 -1.15 116.57 117.53 3gbz h LYS 293 Ca 0.48 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.79 3gbz h LYS 293 Cb 0.69 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 3gbz h LYS 293 CO -0.37 -0.02 -0.20 -0.91 -2.27 0.00 0.00 179.45 175.68 3gbz h ASN 294 N -0.03 0.41 -0.38 4.20 2.35 -1.86 -2.60 115.58 117.66 3gbz h ASN 294 Ca 0.01 -0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.66 3gbz h ASN 294 Cb 0.05 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3gbz h ASN 294 CO -0.03 0.62 0.23 0.00 -1.65 0.00 0.00 177.43 176.60 3gbz h ALA 295 N 1.42 0.48 -0.15 -0.83 0.00 -0.62 -1.21 119.26 118.34 3gbz h ALA 295 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3gbz h ALA 295 Cb 0.57 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3gbz h ALA 295 CO 0.04 -0.10 0.04 -0.07 0.00 0.00 0.00 179.25 179.16 3gbz h LEU 296 N 0.47 0.19 -0.21 0.00 3.38 -0.92 -1.76 115.31 116.47 3gbz h LEU 296 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3gbz h LEU 296 Cb -0.02 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3gbz h LEU 296 CO -0.06 0.20 -0.04 -0.62 0.09 0.00 0.00 178.44 178.01 3gbz n GLU 297 N -4.45 0.87 -2.06 1.13 1.02 -0.83 -4.76 120.64 111.57 3gbz n GLU 297 Ca -0.01 -0.21 -0.39 0.00 -0.02 0.00 0.00 57.16 56.53 3gbz n GLU 297 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 3gbz n GLU 297 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3gbz s HIS 298 N -2.27 2.76 0.63 -0.32 2.46 -0.52 -4.87 115.29 113.15 3gbz s HIS 298 Ca 0.36 1.44 0.28 0.00 0.47 0.00 0.00 55.06 57.61 3gbz s HIS 298 Cb 0.21 -3.62 1.51 0.00 -0.13 0.00 0.00 32.58 30.55 3gbz s HIS 298 CO 0.42 -2.06 1.88 -1.35 -2.47 0.00 0.00 174.74 171.16 3gbz h PRO 299 N 2.36 0.00 -0.48 2.88 0.11 -1.91 -0.91 132.00 134.05 3gbz h PRO 299 Ca -0.50 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.73 3gbz h PRO 299 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3gbz h PRO 299 CO 0.61 0.00 0.34 -0.92 -0.21 0.00 0.00 178.00 177.82 3gbz h TYR 300 N 0.00 0.11 -0.48 0.65 3.20 -1.89 -1.65 116.97 116.90 3gbz h TYR 300 Ca 0.10 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3gbz h TYR 300 Cb 0.94 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.17 3gbz h TYR 300 CO 0.00 0.05 0.00 1.19 -1.64 0.00 0.00 178.16 177.76 3gbz n PHE 301 N -4.43 1.74 0.09 -3.82 3.72 -0.35 -4.41 117.46 110.00 3gbz n PHE 301 Ca 0.08 -0.77 0.12 0.00 -0.05 0.00 0.00 57.45 56.82 3gbz n PHE 301 Cb 0.48 -0.45 0.24 0.00 -0.94 0.00 0.00 39.48 38.81 3gbz n PHE 301 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3gbz n SER 302 N 0.29 3.58 -0.79 4.37 3.41 -0.62 -4.57 113.62 119.29 3gbz n SER 302 Ca 0.26 -1.99 0.08 0.00 -0.26 0.00 0.00 58.87 56.96 3gbz n SER 302 Cb 1.10 -0.32 0.16 0.00 -0.26 0.00 0.00 64.21 64.90 3gbz n SER 302 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3gbz n HIS 303 N 1.50 0.44 -3.19 7.33 8.25 -1.26 -4.98 115.22 123.30 3gbz n HIS 303 Ca 0.20 -0.35 -0.23 0.00 -0.26 0.00 0.00 57.72 57.09 3gbz n HIS 303 Cb 0.60 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.71 3gbz n HIS 303 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gbz n ASN 304 N 0.87 -4.80 -1.65 0.41 3.02 -1.26 -4.87 115.26 106.97 3gbz n ASN 304 Ca 0.14 -0.33 -0.17 0.00 -0.03 0.00 0.00 54.58 54.19 3gbz n ASN 304 Cb 0.45 -3.92 0.10 0.00 -0.61 0.00 0.00 39.78 35.80 3gbz n ASN 304 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3gbz n ASP 305 N -2.39 4.24 -3.56 6.41 5.75 -1.26 -4.99 116.55 120.75 3gbz n ASP 305 Ca -0.06 -3.79 -0.09 0.00 -0.01 0.00 0.00 54.79 50.84 3gbz n ASP 305 Cb 0.58 -0.53 -0.02 0.00 -1.03 0.00 0.00 41.12 40.12 3gbz n ASP 305 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3gbz s PHE 306 N -3.50 -0.36 -0.35 2.11 -0.71 -1.26 -4.72 117.98 109.20 3gbz s PHE 306 Ca 0.50 0.12 -0.12 0.00 -1.04 0.00 0.00 56.93 56.39 3gbz s PHE 306 Cb 0.42 0.59 -0.00 0.00 -1.21 0.00 0.00 43.02 42.81 3gbz s PHE 306 CO 0.01 -0.79 0.22 -0.51 -1.34 0.00 0.00 175.22 172.80 3gbz s ASP 307 N -2.71 5.87 0.00 1.98 1.11 -1.26 -4.98 116.67 116.68 3gbz s ASP 307 Ca 0.06 -0.61 0.19 0.00 0.18 0.00 0.00 52.55 52.36 3gbz s ASP 307 Cb -0.02 -2.09 1.12 0.00 1.07 0.00 0.00 42.92 43.01 3gbz s ASP 307 CO -0.06 -0.28 1.52 -0.81 1.18 0.00 0.00 175.17 176.71