#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ghb s VAL 2 N 0.00 5.07 0.16 3.84 1.01 -1.26 -3.48 120.40 125.74 3ghb s VAL 2 Ca 0.00 0.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.82 3ghb s VAL 2 Cb 0.00 -3.35 0.07 0.00 0.00 0.00 0.00 36.38 33.10 3ghb s VAL 2 CO 0.00 0.38 0.66 0.00 0.00 0.00 0.00 175.10 176.14 3ghb s GLN 3 N 0.93 1.31 -0.03 2.72 -2.07 -0.77 -5.02 119.66 116.74 3ghb s GLN 3 Ca 0.06 -0.54 0.02 0.00 -1.82 0.00 0.00 55.36 53.08 3ghb s GLN 3 Cb -0.13 0.56 0.01 0.00 -1.09 0.00 0.00 33.01 32.36 3ghb s GLN 3 CO 0.03 -0.58 -0.08 -0.51 -1.32 0.00 0.00 175.29 172.83 3ghb s LEU 4 N -2.75 1.67 -0.11 2.60 1.43 -1.26 -2.12 118.68 118.13 3ghb s LEU 4 Ca 0.03 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3ghb s LEU 4 Cb -0.02 -0.54 0.03 0.00 0.03 0.00 0.00 46.19 45.69 3ghb s LEU 4 CO -0.09 0.03 -0.06 -0.69 0.23 0.00 0.00 176.35 175.78 3ghb s VAL 5 N 0.41 0.92 0.13 -1.59 1.01 -0.32 -4.11 120.40 116.84 3ghb s VAL 5 Ca -0.06 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.68 3ghb s VAL 5 Cb -0.11 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3ghb s VAL 5 CO 0.01 0.31 0.16 -1.83 0.00 0.00 0.00 175.10 173.74 3ghb s GLU 6 N 1.75 3.07 0.21 2.72 1.03 -1.26 -0.39 118.70 125.82 3ghb s GLU 6 Ca 0.04 -0.72 -0.12 0.00 0.03 0.00 0.00 54.97 54.20 3ghb s GLU 6 Cb -0.13 -2.78 0.00 0.00 -0.80 0.00 0.00 34.13 30.42 3ghb s GLU 6 CO -0.08 0.53 0.42 -1.54 -1.33 0.00 0.00 175.26 173.26 3ghb s SER 7 N -2.87 -0.09 0.00 0.83 1.04 0.76 -4.66 113.70 108.71 3ghb s SER 7 Ca 0.32 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.94 3ghb s SER 7 Cb -0.11 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3ghb s SER 7 CO 0.25 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.04 3ghb n GLY 8 N -0.31 1.26 3.72 7.32 0.00 -1.26 -0.63 105.19 115.29 3ghb n GLY 8 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 3ghb n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ghb s GLY 9 N -2.04 2.40 0.00 -0.02 0.00 -1.26 -4.78 107.32 101.62 3ghb s GLY 9 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 44.72 45.65 3ghb s GLY 9 CO 0.00 1.34 0.00 0.61 0.00 0.00 0.00 173.10 175.05 3ghb n GLY 10 N 0.49 -1.31 3.73 0.20 0.00 -0.52 -4.87 105.19 102.91 3ghb n GLY 10 Ca 0.14 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 3ghb n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ghb s LEU 11 N 0.00 4.35 0.01 0.99 2.96 -1.26 -1.51 118.68 124.22 3ghb s LEU 11 Ca 0.00 1.18 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 3ghb s LEU 11 Cb 0.00 -3.04 -0.01 0.00 0.50 0.00 0.00 46.19 43.64 3ghb s LEU 11 CO 0.00 -0.05 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.27 3ghb s VAL 12 N 0.50 0.14 0.43 1.68 1.01 0.58 -4.97 120.40 119.77 3ghb s VAL 12 Ca 0.35 -0.42 -0.22 0.00 0.00 0.00 0.00 61.98 61.70 3ghb s VAL 12 Cb -0.18 -0.19 -0.09 0.00 0.00 0.00 0.00 36.38 35.92 3ghb s VAL 12 CO 0.18 -0.17 1.01 -0.54 0.00 0.00 0.00 175.10 175.57 3ghb s LYS 13 N -0.62 4.10 0.41 2.72 -0.14 -1.26 -1.36 119.74 123.60 3ghb s LYS 13 Ca -0.06 1.35 -0.26 0.00 -1.36 0.00 0.00 55.97 55.65 3ghb s LYS 13 Cb -0.04 -2.33 -0.10 0.00 -1.68 0.00 0.00 37.83 33.67 3ghb s LYS 13 CO -0.00 -0.17 1.20 -2.30 -0.76 0.00 0.00 175.35 173.32 3ghb n PRO 14 N -0.44 1.79 -0.18 -1.68 -0.02 -1.26 -0.55 135.00 132.66 3ghb n PRO 14 Ca 0.07 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3ghb n PRO 14 Cb 0.52 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3ghb n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ghb n GLY 15 N 0.91 1.51 2.33 -1.23 0.00 0.17 -4.95 105.19 103.92 3ghb n GLY 15 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 3ghb n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ghb n GLY 16 N -2.00 -0.69 3.20 -0.02 0.00 0.28 -4.24 105.19 101.73 3ghb n GLY 16 Ca 0.00 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.09 3ghb n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ghb s SER 17 N -3.77 1.53 -0.16 1.61 1.04 -1.26 -1.51 113.70 111.19 3ghb s SER 17 Ca 0.44 -0.89 -0.26 0.00 0.48 0.00 0.00 55.95 55.72 3ghb s SER 17 Cb -0.02 0.01 0.06 0.00 0.10 0.00 0.00 66.02 66.18 3ghb s SER 17 CO 0.30 -0.30 0.65 -0.22 0.98 0.00 0.00 173.24 174.65 3ghb s LEU 18 N -2.72 -0.52 -0.12 2.42 2.96 0.01 -5.01 118.68 115.71 3ghb s LEU 18 Ca 0.09 1.03 0.02 0.00 -0.22 0.00 0.00 54.13 55.06 3ghb s LEU 18 Cb -0.00 2.34 0.00 0.00 0.50 0.00 0.00 46.19 49.02 3ghb s LEU 18 CO -0.00 -0.39 -0.21 -0.60 -1.32 0.00 0.00 176.35 173.82 3ghb s ARG 19 N -0.35 3.10 0.07 1.98 3.52 -1.26 -0.45 118.95 125.56 3ghb s ARG 19 Ca -0.05 -0.83 0.02 0.00 -0.13 0.00 0.00 55.73 54.74 3ghb s ARG 19 Cb -0.03 -2.43 -0.04 0.00 -1.56 0.00 0.00 34.95 30.89 3ghb s ARG 19 CO 0.05 0.10 0.12 -0.51 -0.81 0.00 0.00 175.30 174.24 3ghb s LEU 20 N 0.57 3.97 0.08 -0.88 1.43 -0.10 -4.68 118.68 119.07 3ghb s LEU 20 Ca -0.12 0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.14 3ghb s LEU 20 Cb -0.17 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 3ghb s LEU 20 CO 0.04 0.18 -0.22 -0.89 0.23 0.00 0.00 176.35 175.68 3ghb s THR 21 N -1.41 1.82 -0.14 5.49 2.01 0.20 -1.85 115.64 121.76 3ghb s THR 21 Ca 0.31 -1.44 -0.03 0.00 0.31 0.00 0.00 61.69 60.84 3ghb s THR 21 Cb -0.12 -1.61 0.05 0.00 0.01 0.00 0.00 72.50 70.82 3ghb s THR 21 CO 0.23 0.10 0.06 0.00 -0.69 0.00 0.00 174.62 174.32 3ghb s VAL 23 N 2.05 5.40 0.20 0.00 1.01 0.47 -0.98 120.40 128.55 3ghb s VAL 23 Ca 0.02 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.25 3ghb s VAL 23 Cb -0.15 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3ghb s VAL 23 CO -0.07 0.42 0.24 0.00 0.00 0.00 0.00 175.10 175.69 3ghb s ALA 24 N 0.54 3.75 -0.05 5.51 0.00 -0.37 -1.18 121.76 129.96 3ghb s ALA 24 Ca 0.08 -1.23 -0.29 0.00 0.00 0.00 0.00 51.96 50.52 3ghb s ALA 24 Cb -0.12 -1.53 0.09 0.00 0.00 0.00 0.00 23.12 21.56 3ghb s ALA 24 CO -0.00 0.38 0.79 -1.54 0.00 0.00 0.00 175.76 175.39 3ghb s SER 25 N -3.54 -0.53 0.00 0.00 1.04 -0.90 -4.88 113.70 104.89 3ghb s SER 25 Ca 0.33 0.43 0.00 0.00 0.48 0.00 0.00 55.95 57.19 3ghb s SER 25 Cb -0.09 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.49 3ghb s SER 25 CO 0.26 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.51 3ghb n GLY 26 N 0.52 0.97 3.49 7.32 0.00 -1.23 -1.84 105.19 114.43 3ghb n GLY 26 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 3ghb n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ghb s PHE 27 N -2.59 0.04 -0.74 1.61 -0.71 -1.26 -4.65 117.98 109.68 3ghb s PHE 27 Ca 0.00 -0.39 -0.26 0.00 -1.04 0.00 0.00 56.93 55.24 3ghb s PHE 27 Cb 0.00 0.28 -0.01 0.00 -1.21 0.00 0.00 43.02 42.09 3ghb s PHE 27 CO 0.00 -0.89 1.70 0.99 -1.34 0.00 0.00 175.22 175.68 3ghb s THR 28 N -3.91 3.52 0.13 -4.49 2.01 -1.26 -4.86 115.64 106.77 3ghb s THR 28 Ca 0.12 0.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.92 3ghb s THR 28 Cb -0.00 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 3ghb s THR 28 CO -0.01 -1.25 1.63 0.15 -0.69 0.00 0.00 174.62 174.45 3ghb h PHE 29 N 12.56 -0.70 0.00 4.92 3.57 -1.97 -2.62 116.94 132.71 3ghb h PHE 29 Ca -0.15 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.38 3ghb h PHE 29 Cb 1.09 0.32 0.00 0.00 2.79 0.00 0.00 35.95 40.15 3ghb h PHE 29 CO 1.12 -0.35 0.28 0.66 -2.23 0.00 0.00 178.31 177.80 3ghb h SER 30 N -0.37 0.00 0.60 0.41 4.64 -1.89 -1.82 113.55 115.11 3ghb h SER 30 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3ghb h SER 30 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3ghb h SER 30 CO -0.26 0.00 -0.31 0.47 -0.87 0.00 0.00 176.83 175.86 3ghb n ASP 31 N -2.72 0.40 -4.49 4.97 9.92 -0.99 -4.31 116.55 119.33 3ghb n ASP 31 Ca -0.02 -0.13 -0.25 0.00 -0.53 0.00 0.00 54.79 53.87 3ghb n ASP 31 Cb 0.33 0.01 -0.10 0.00 -0.64 0.00 0.00 41.12 40.71 3ghb n ASP 31 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 3ghb s VAL 32 N -2.91 2.66 0.27 2.53 -7.23 -0.69 -4.92 120.40 110.11 3ghb s VAL 32 Ca 0.15 -2.17 -0.17 0.00 -1.81 0.00 0.00 61.98 57.97 3ghb s VAL 32 Cb 0.18 -2.36 -0.09 0.00 0.56 0.00 0.00 36.38 34.67 3ghb s VAL 32 CO 0.62 -0.30 0.73 0.26 -0.31 0.00 0.00 175.10 176.10 3ghb s TRP 33 N -2.20 3.52 0.10 2.82 0.52 -1.26 -4.20 118.94 118.24 3ghb s TRP 33 Ca 0.27 1.31 0.07 0.00 0.02 0.00 0.00 56.10 57.77 3ghb s TRP 33 Cb -0.06 -2.58 -0.03 0.00 -1.15 0.00 0.00 33.47 29.64 3ghb s TRP 33 CO 0.14 0.22 -0.17 -0.51 0.02 0.00 0.00 176.95 176.65 3ghb s LEU 34 N -2.45 2.32 0.19 2.99 1.43 -0.84 -1.45 118.68 120.87 3ghb s LEU 34 Ca 0.48 -0.69 0.08 0.00 -1.03 0.00 0.00 54.13 52.97 3ghb s LEU 34 Cb -0.14 -0.68 -0.05 0.00 0.03 0.00 0.00 46.19 45.36 3ghb s LEU 34 CO 0.19 -0.03 -0.15 0.20 0.23 0.00 0.00 176.35 176.79 3ghb s ASN 35 N -1.98 2.55 -0.09 2.29 0.01 0.98 -1.49 114.94 117.21 3ghb s ASN 35 Ca 0.04 -0.98 0.04 0.00 -0.71 0.00 0.00 52.86 51.25 3ghb s ASN 35 Cb -0.09 -0.14 -0.00 0.00 0.41 0.00 0.00 41.25 41.43 3ghb s ASN 35 CO 0.03 -0.15 -0.24 0.26 -1.51 0.00 0.00 177.10 175.50 3ghb s TRP 36 N -2.76 2.55 0.18 2.20 0.52 -0.49 -1.01 118.94 120.13 3ghb s TRP 36 Ca 0.20 -0.97 0.04 0.00 0.02 0.00 0.00 56.10 55.39 3ghb s TRP 36 Cb -0.02 -1.69 -0.05 0.00 -1.15 0.00 0.00 33.47 30.56 3ghb s TRP 36 CO 0.07 -0.37 -0.05 0.14 0.02 0.00 0.00 176.95 176.76 3ghb s VAL 37 N 0.24 1.04 0.06 4.03 -7.23 0.21 -0.24 120.40 118.52 3ghb s VAL 37 Ca -0.16 -2.04 -0.10 0.00 -1.81 0.00 0.00 61.98 57.88 3ghb s VAL 37 Cb -0.17 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.68 3ghb s VAL 37 CO 0.08 -0.54 0.21 0.00 -0.31 0.00 0.00 175.10 174.54 3ghb s ARG 38 N -3.82 0.78 -0.15 4.82 1.70 0.11 -0.65 118.95 121.74 3ghb s ARG 38 Ca 0.22 -0.77 -0.04 0.00 -0.47 0.00 0.00 55.73 54.67 3ghb s ARG 38 Cb 0.04 0.32 0.07 0.00 -0.57 0.00 0.00 34.95 34.82 3ghb s ARG 38 CO 0.04 -0.24 0.22 -1.14 -1.08 0.00 0.00 175.30 173.10 3ghb s GLN 39 N -3.18 0.13 0.53 3.89 0.74 -0.31 -0.41 119.66 121.05 3ghb s GLN 39 Ca -0.00 0.47 -0.17 0.00 0.05 0.00 0.00 55.36 55.71 3ghb s GLN 39 Cb 0.02 -0.58 -0.07 0.00 1.10 0.00 0.00 33.01 33.48 3ghb s GLN 39 CO -0.07 -0.44 1.02 0.00 -0.55 0.00 0.00 175.29 175.24 3ghb s ALA 40 N 2.35 2.91 0.11 1.58 0.00 -1.26 -1.54 121.76 125.90 3ghb s ALA 40 Ca 0.04 0.36 -0.35 0.00 0.00 0.00 0.00 51.96 52.00 3ghb s ALA 40 Cb -0.14 -3.19 -0.15 0.00 0.00 0.00 0.00 23.12 19.64 3ghb s ALA 40 CO -0.09 -0.44 1.47 -2.30 0.00 0.00 0.00 175.76 174.40 3ghb n PRO 41 N -1.56 1.64 -2.18 0.00 -0.02 -1.26 -1.53 135.00 130.08 3ghb n PRO 41 Ca 0.08 0.59 -0.19 0.00 -2.02 0.00 0.00 63.50 61.96 3ghb n PRO 41 Cb 0.53 -2.30 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 3ghb n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ghb n GLY 42 N 3.01 0.07 3.34 -1.23 0.00 -1.26 -4.99 105.19 104.13 3ghb n GLY 42 Ca 0.18 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 3ghb n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ghb s LYS 43 N -4.65 1.57 0.60 1.61 1.02 -0.58 -5.16 119.74 114.15 3ghb s LYS 43 Ca 0.00 -1.89 -0.10 0.00 0.02 0.00 0.00 55.97 54.00 3ghb s LYS 43 Cb 0.00 -0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.12 3ghb s LYS 43 CO 0.00 -0.42 0.99 0.20 -0.92 0.00 0.00 175.35 175.20 3ghb s GLY 44 N -3.37 1.65 0.49 -3.33 0.00 -1.26 -4.64 107.32 96.86 3ghb s GLY 44 Ca 0.36 -0.14 -0.23 0.00 0.00 0.00 0.00 44.72 44.70 3ghb s GLY 44 CO 0.17 0.11 1.36 -2.27 0.00 0.00 0.00 173.10 172.47 3ghb s LEU 45 N -5.09 3.99 -0.06 0.66 0.20 -1.26 -4.51 118.68 112.60 3ghb s LEU 45 Ca 0.54 2.77 -0.00 0.00 0.69 0.00 0.00 54.13 58.13 3ghb s LEU 45 Cb -0.11 -4.12 0.02 0.00 -0.43 0.00 0.00 46.19 41.55 3ghb s LEU 45 CO 0.52 -1.32 -0.03 -0.70 -0.29 0.00 0.00 176.35 174.54 3ghb s GLU 46 N -2.67 0.75 0.13 1.98 2.12 0.46 -4.99 118.70 116.47 3ghb s GLU 46 Ca 0.66 -0.02 -0.31 0.00 0.36 0.00 0.00 54.97 55.67 3ghb s GLU 46 Cb -0.40 -0.92 -0.07 0.00 0.26 0.00 0.00 34.13 33.00 3ghb s GLU 46 CO 0.50 -0.18 1.28 -0.46 -0.54 0.00 0.00 175.26 175.85 3ghb s TRP 47 N 1.39 3.35 -0.21 5.30 -0.00 -1.26 -0.72 118.94 126.79 3ghb s TRP 47 Ca -0.04 1.21 -0.06 0.00 -0.00 0.00 0.00 56.10 57.21 3ghb s TRP 47 Cb -0.13 -3.53 -0.19 0.00 -0.00 0.00 0.00 33.47 29.61 3ghb s TRP 47 CO -0.03 -1.70 -0.02 0.28 -0.00 0.00 0.00 176.95 175.49 3ghb n VAL 48 N 3.43 1.59 0.00 5.86 0.31 0.67 -4.62 118.33 125.57 3ghb n VAL 48 Ca 0.08 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 3ghb n VAL 48 Cb 0.44 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 3ghb n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ghb n GLY 49 N 1.92 0.40 3.23 2.92 0.00 -1.07 -1.34 105.19 111.25 3ghb n GLY 49 Ca -0.42 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 3ghb n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ghb s ARG 50 N -2.00 1.14 -0.05 1.61 1.70 -0.52 -1.39 118.95 119.44 3ghb s ARG 50 Ca 0.00 -1.57 -0.02 0.00 -0.47 0.00 0.00 55.73 53.67 3ghb s ARG 50 Cb 0.00 -0.09 0.04 0.00 -0.57 0.00 0.00 34.95 34.32 3ghb s ARG 50 CO 0.00 -0.22 0.09 -1.50 -1.08 0.00 0.00 175.30 172.59 3ghb s ILE 51 N -3.82 -0.11 0.75 4.99 2.07 -0.55 -2.22 121.20 122.31 3ghb s ILE 51 Ca 0.29 0.28 -0.12 0.00 -1.41 0.00 0.00 60.65 59.69 3ghb s ILE 51 Cb 0.07 -0.18 0.04 0.00 0.13 0.00 0.00 42.46 42.52 3ghb s ILE 51 CO 0.06 0.12 1.11 -0.54 -1.91 0.00 0.00 174.94 173.78 3ghb s LYS 52 N 1.57 2.50 0.66 3.50 1.02 -0.18 -1.99 119.74 126.82 3ghb s LYS 52 Ca -0.04 0.45 -0.14 0.00 0.02 0.00 0.00 55.97 56.27 3ghb s LYS 52 Cb -0.12 -1.98 -0.00 0.00 -0.52 0.00 0.00 37.83 35.20 3ghb s LYS 52 CO -0.04 -1.29 1.08 -1.54 -0.92 0.00 0.00 175.35 172.63 3ghb s SER 52 N -4.27 5.34 0.26 2.83 1.04 -1.26 -3.83 113.70 113.82 3ghb s SER 52 Ca 0.59 1.82 -0.01 0.00 0.48 0.00 0.00 55.95 58.84 3ghb s SER 52 Cb -0.12 -2.53 0.56 0.00 0.10 0.00 0.00 66.02 64.03 3ghb s SER 52 CO 0.52 -1.47 1.73 -0.09 0.98 0.00 0.00 173.24 174.91 3ghb h ARG 52 N -0.14 0.48 0.00 4.02 2.43 -1.90 0.82 114.38 120.08 3ghb h ARG 52 Ca -0.46 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 3ghb h ARG 52 Cb 1.23 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3ghb h ARG 52 CO 0.56 0.32 -0.04 1.15 -1.51 0.00 0.00 179.97 180.44 3ghb h THR 52 N 0.49 0.56 -0.56 0.20 2.02 -1.92 -1.37 112.91 112.34 3ghb h THR 52 Ca 0.47 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.48 3ghb h THR 52 Cb 0.75 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 3ghb h THR 52 CO -0.43 0.04 0.00 0.47 0.37 0.00 0.00 175.52 175.97 3ghb n ASP 53 N -3.82 4.40 0.00 4.18 8.00 0.10 -4.93 116.55 124.47 3ghb n ASP 53 Ca -0.03 -2.46 0.00 0.00 0.71 0.00 0.00 54.79 53.02 3ghb n ASP 53 Cb 0.13 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 3ghb n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ghb n GLY 54 N 0.83 2.34 2.43 0.44 0.00 -0.52 -4.64 105.19 106.08 3ghb n GLY 54 Ca 0.23 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.09 3ghb n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ghb n GLY 55 N -0.57 1.02 3.90 -0.02 0.00 -0.13 -4.89 105.19 104.51 3ghb n GLY 55 Ca 0.00 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 3ghb n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ghb s THR 56 N -2.68 3.73 0.19 2.61 -4.23 -1.26 -4.56 115.64 109.43 3ghb s THR 56 Ca 0.00 0.20 0.10 0.00 -1.18 0.00 0.00 61.69 60.81 3ghb s THR 56 Cb 0.00 -3.50 -0.04 0.00 1.34 0.00 0.00 72.50 70.29 3ghb s THR 56 CO 0.00 -0.57 -0.16 0.42 -0.54 0.00 0.00 174.62 173.77 3ghb s THR 57 N -3.09 2.79 0.01 3.99 -4.23 -1.26 -1.01 115.64 112.84 3ghb s THR 57 Ca 0.55 -1.84 0.03 0.00 -1.18 0.00 0.00 61.69 59.25 3ghb s THR 57 Cb -0.11 -2.37 -0.01 0.00 1.34 0.00 0.00 72.50 71.36 3ghb s THR 57 CO 0.47 -0.12 -0.10 -1.81 -0.54 0.00 0.00 174.62 172.53 3ghb s ASP 58 N -2.77 1.12 0.03 3.99 1.01 -0.94 -4.99 116.67 114.12 3ghb s ASP 58 Ca 0.23 -0.27 0.04 0.00 0.71 0.00 0.00 52.55 53.26 3ghb s ASP 58 Cb -0.08 -0.09 -0.02 0.00 1.01 0.00 0.00 42.92 43.74 3ghb s ASP 58 CO 0.13 0.05 -0.12 -0.31 0.21 0.00 0.00 175.17 175.12 3ghb s TYR 59 N -0.50 1.06 0.63 4.23 2.02 -1.26 -1.44 117.35 122.10 3ghb s TYR 59 Ca 0.01 -0.32 -0.18 0.00 -0.37 0.00 0.00 57.07 56.21 3ghb s TYR 59 Cb -0.05 -0.64 -0.01 0.00 -0.40 0.00 0.00 41.96 40.86 3ghb s TYR 59 CO 0.00 0.01 1.22 0.00 -1.57 0.00 0.00 175.55 175.21 3ghb s ALA 60 N -0.77 2.42 0.46 3.71 0.00 -0.45 -4.74 121.76 122.40 3ghb s ALA 60 Ca 0.01 0.99 0.12 0.00 0.00 0.00 0.00 51.96 53.07 3ghb s ALA 60 Cb -0.07 -3.46 1.05 0.00 0.00 0.00 0.00 23.12 20.64 3ghb s ALA 60 CO 0.01 -1.39 2.09 0.00 0.00 0.00 0.00 175.76 176.46 3ghb h ALA 61 N 0.53 1.88 0.00 0.00 0.00 -1.93 -1.19 119.26 118.55 3ghb h ALA 61 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3ghb h ALA 61 Cb 1.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ghb h ALA 61 CO 0.54 0.10 0.00 0.66 0.00 0.00 0.00 179.25 180.54 3ghb h SER 62 N 0.31 0.00 0.00 0.00 4.64 -1.96 -3.30 113.55 113.24 3ghb h SER 62 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3ghb h SER 62 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3ghb h SER 62 CO -0.02 0.00 -0.13 1.33 -0.87 0.00 0.00 176.83 177.14 3ghb n VAL 63 N -2.33 0.00 -1.69 0.95 0.24 -0.80 -5.03 118.33 109.67 3ghb n VAL 63 Ca 0.01 -0.22 -0.44 0.00 -2.04 0.00 0.00 64.34 61.65 3ghb n VAL 63 Cb 0.19 0.84 -0.03 0.00 -1.47 0.00 0.00 33.84 33.37 3ghb n VAL 63 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3ghb n LYS 64 N -0.63 2.37 0.00 7.34 4.81 -0.52 -1.28 118.16 130.25 3ghb n LYS 64 Ca 0.00 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 3ghb n LYS 64 Cb 0.00 -2.63 0.00 0.00 0.02 0.00 0.00 35.03 32.42 3ghb n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ghb n GLY 65 N 3.23 2.66 0.02 3.14 0.00 -1.26 -4.81 105.19 108.17 3ghb n GLY 65 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 3ghb n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ghb n ARG 66 N -2.00 2.58 -4.30 1.61 1.74 -0.41 -5.04 116.66 110.84 3ghb n ARG 66 Ca 0.00 0.01 -0.35 0.00 -0.77 0.00 0.00 57.85 56.74 3ghb n ARG 66 Cb 0.00 -1.08 -0.09 0.00 -1.02 0.00 0.00 32.46 30.27 3ghb n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3ghb s PHE 67 N -2.08 3.21 -0.08 -1.55 0.40 -0.79 -1.63 117.98 115.46 3ghb s PHE 67 Ca -0.03 0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.55 3ghb s PHE 67 Cb 0.01 -1.79 0.01 0.00 0.51 0.00 0.00 43.02 41.76 3ghb s PHE 67 CO 0.12 0.50 -0.14 0.99 0.70 0.00 0.00 175.22 177.40 3ghb s THR 68 N -0.93 1.28 -0.11 0.64 2.01 0.43 -4.84 115.64 114.12 3ghb s THR 68 Ca 0.14 -0.55 -0.02 0.00 0.31 0.00 0.00 61.69 61.58 3ghb s THR 68 Cb -0.11 -1.17 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 3ghb s THR 68 CO 0.04 0.39 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.70 3ghb s ILE 69 N 0.76 3.98 0.07 1.82 1.01 -1.26 -0.23 121.20 127.35 3ghb s ILE 69 Ca -0.12 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.08 3ghb s ILE 69 Cb -0.16 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.62 3ghb s ILE 69 CO 0.02 0.55 0.20 -0.94 0.00 0.00 0.00 174.94 174.77 3ghb s SER 70 N -0.29 0.08 0.13 3.58 1.04 -1.06 -4.96 113.70 112.22 3ghb s SER 70 Ca 0.05 -0.54 0.05 0.00 0.48 0.00 0.00 55.95 55.99 3ghb s SER 70 Cb -0.12 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 3ghb s SER 70 CO 0.02 -0.67 -0.13 0.00 0.98 0.00 0.00 173.24 173.44 3ghb s ARG 71 N -3.41 1.04 -0.38 4.02 1.70 -1.26 -0.09 118.95 120.57 3ghb s ARG 71 Ca 0.01 -1.32 0.01 0.00 -0.47 0.00 0.00 55.73 53.96 3ghb s ARG 71 Cb 0.03 -0.80 0.13 0.00 -0.57 0.00 0.00 34.95 33.74 3ghb s ARG 71 CO -0.09 0.14 0.21 0.34 -1.08 0.00 0.00 175.30 174.82 3ghb s ASP 72 N -2.74 3.38 0.53 -2.89 -1.08 0.09 -5.00 116.67 108.95 3ghb s ASP 72 Ca 0.12 -2.31 0.21 0.00 -0.52 0.00 0.00 52.55 50.05 3ghb s ASP 72 Cb -0.02 -0.72 1.34 0.00 -1.46 0.00 0.00 42.92 42.06 3ghb s ASP 72 CO 0.02 -0.30 2.08 0.44 0.52 0.00 0.00 175.17 177.93 3ghb h ASP 73 N 7.02 0.00 1.04 -0.34 3.32 -1.96 -0.29 116.42 125.22 3ghb h ASP 73 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ghb h ASP 73 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 3ghb h ASP 73 CO 0.38 0.00 0.00 0.77 -1.72 0.00 0.00 179.24 178.67 3ghb h SER 74 N 0.00 0.00 -0.12 6.45 4.64 -1.95 -2.80 113.55 119.78 3ghb h SER 74 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3ghb h SER 74 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3ghb h SER 74 CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3ghb n LYS 75 N -2.81 1.49 -3.08 4.77 5.02 -0.21 -4.97 118.16 118.37 3ghb n LYS 75 Ca 0.02 -1.40 -0.21 0.00 -2.02 0.00 0.00 58.31 54.69 3ghb n LYS 75 Cb 0.31 -1.16 0.01 0.00 -0.02 0.00 0.00 35.03 34.17 3ghb n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ghb n ASN 76 N 0.28 -4.46 -4.39 4.39 5.03 -0.63 -4.82 115.26 110.66 3ghb n ASN 76 Ca 0.06 -0.24 -0.31 0.00 0.87 0.00 0.00 54.58 54.95 3ghb n ASN 76 Cb 0.27 -3.68 -0.14 0.00 -1.02 0.00 0.00 39.78 35.21 3ghb n ASN 76 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3ghb s THR 77 N -2.94 2.45 -0.00 3.41 2.01 -0.99 -1.24 115.64 118.34 3ghb s THR 77 Ca 0.29 -1.14 0.07 0.00 0.31 0.00 0.00 61.69 61.22 3ghb s THR 77 Cb -0.15 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 3ghb s THR 77 CO 0.36 0.46 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.31 3ghb s LEU 78 N -1.02 2.36 0.15 4.42 2.96 -0.15 -0.73 118.68 126.67 3ghb s LEU 78 Ca 0.12 -0.42 0.08 0.00 -0.22 0.00 0.00 54.13 53.69 3ghb s LEU 78 Cb -0.10 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 3ghb s LEU 78 CO 0.02 0.30 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.86 3ghb s TYR 79 N -0.75 1.73 -0.22 5.38 2.02 0.88 -1.04 117.35 125.35 3ghb s TYR 79 Ca 0.12 -0.49 -0.04 0.00 -0.37 0.00 0.00 57.07 56.29 3ghb s TYR 79 Cb -0.10 -0.87 0.08 0.00 -0.40 0.00 0.00 41.96 40.66 3ghb s TYR 79 CO 0.01 0.29 0.10 -1.17 -1.57 0.00 0.00 175.55 173.21 3ghb s LEU 80 N -2.60 0.63 -0.29 -1.29 2.96 -0.77 -2.56 118.68 114.76 3ghb s LEU 80 Ca 0.14 -0.92 -0.18 0.00 -0.22 0.00 0.00 54.13 52.95 3ghb s LEU 80 Cb -0.06 -0.36 -0.02 0.00 0.50 0.00 0.00 46.19 46.25 3ghb s LEU 80 CO 0.06 -0.38 0.51 -1.58 -1.32 0.00 0.00 176.35 173.64 3ghb s GLN 81 N 2.06 3.93 -0.19 1.98 2.00 0.68 -0.92 119.66 129.19 3ghb s GLN 81 Ca 0.04 0.16 -0.03 0.00 -2.00 0.00 0.00 55.36 53.53 3ghb s GLN 81 Cb -0.16 -3.70 -0.01 0.00 0.80 0.00 0.00 33.01 29.93 3ghb s GLN 81 CO -0.19 -0.45 -0.06 -1.64 -0.50 0.00 0.00 175.29 172.46 3ghb s MET 82 N 2.34 3.43 0.28 1.67 -1.94 0.41 -0.42 119.30 125.06 3ghb s MET 82 Ca 0.20 -0.62 0.08 0.00 -1.71 0.00 0.00 55.69 53.64 3ghb s MET 82 Cb -0.15 -2.91 -0.06 0.00 2.01 0.00 0.00 34.83 33.72 3ghb s MET 82 CO 0.11 -0.04 -0.10 -0.80 -0.01 0.00 0.00 175.02 174.18 3ghb s ASN 82 N 1.06 3.02 -1.55 3.03 0.01 -0.64 -0.81 114.94 119.06 3ghb s ASN 82 Ca 0.01 -1.14 -0.13 0.00 -0.71 0.00 0.00 52.86 50.89 3ghb s ASN 82 Cb -0.15 -0.21 0.09 0.00 0.41 0.00 0.00 41.25 41.39 3ghb s ASN 82 CO -0.00 -0.23 0.88 -1.20 -1.51 0.00 0.00 177.10 175.03 3ghb n SER 82 N -0.59 -3.83 -4.69 -1.22 7.64 -1.13 -4.67 113.62 105.14 3ghb n SER 82 Ca -0.06 -0.86 -0.41 0.00 1.01 0.00 0.00 58.87 58.55 3ghb n SER 82 Cb 0.62 -3.57 0.01 0.00 -1.01 0.00 0.00 64.21 60.26 3ghb n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3ghb n LEU 82 N -4.56 3.73 -4.42 -3.43 4.77 -0.57 -4.63 117.00 107.89 3ghb n LEU 82 Ca -0.00 1.12 -0.26 0.00 -0.03 0.00 0.00 56.01 56.84 3ghb n LEU 82 Cb 0.54 -1.48 -0.12 0.00 -2.33 0.00 0.00 43.42 40.04 3ghb n LEU 82 CO 0.78 -0.72 -0.53 -0.54 -1.33 0.00 0.00 177.39 175.05 3ghb s LYS 83 N -2.10 1.50 0.33 3.23 1.02 -1.26 0.41 119.74 122.86 3ghb s LYS 83 Ca 0.60 -1.51 0.07 0.00 0.02 0.00 0.00 55.97 55.15 3ghb s LYS 83 Cb -0.53 -1.80 0.75 0.00 -0.52 0.00 0.00 37.83 35.73 3ghb s LYS 83 CO 0.59 0.39 1.85 1.79 -0.92 0.00 0.00 175.35 179.04 3ghb h THR 84 N 3.22 0.83 0.00 2.17 1.35 -1.96 0.23 112.91 118.74 3ghb h THR 84 Ca -0.46 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3ghb h THR 84 Cb 1.21 -0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3ghb h THR 84 CO 0.48 0.14 0.00 -1.84 -0.25 0.00 0.00 175.52 174.05 3ghb n GLU 85 N -4.60 0.35 0.00 4.72 0.00 -1.26 -1.17 120.64 118.67 3ghb n GLU 85 Ca 0.19 0.03 0.14 0.00 0.00 0.00 0.00 57.16 57.51 3ghb n GLU 85 Cb 0.47 -1.50 0.48 0.00 0.00 0.00 0.00 31.44 30.89 3ghb n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3ghb n ASP 86 N -1.05 0.92 -4.72 -1.84 8.00 0.82 -4.89 116.55 113.79 3ghb n ASP 86 Ca 0.09 -0.90 -0.42 0.00 0.71 0.00 0.00 54.79 54.27 3ghb n ASP 86 Cb 0.05 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 3ghb n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ghb s THR 87 N -2.40 2.47 0.00 -3.53 2.01 -0.32 -4.88 115.64 109.00 3ghb s THR 87 Ca 0.28 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.60 3ghb s THR 87 Cb 0.20 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.51 3ghb s THR 87 CO 0.47 0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.43 3ghb n ALA 88 N 4.11 0.00 -2.66 7.40 0.00 -0.64 -4.43 120.51 124.29 3ghb n ALA 88 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.19 3ghb n ALA 88 Cb 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.76 3ghb n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ghb s VAL 89 N -2.00 5.09 -0.20 0.00 1.01 -0.59 -1.29 120.40 122.42 3ghb s VAL 89 Ca 0.00 0.96 -0.09 0.00 0.00 0.00 0.00 61.98 62.86 3ghb s VAL 89 Cb 0.00 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3ghb s VAL 89 CO 0.00 0.16 0.10 -0.31 0.00 0.00 0.00 175.10 175.04 3ghb s TYR 90 N 1.76 3.30 0.10 5.22 1.51 0.83 -1.17 117.35 128.90 3ghb s TYR 90 Ca 0.24 0.15 0.07 0.00 -1.01 0.00 0.00 57.07 56.52 3ghb s TYR 90 Cb -0.15 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 3ghb s TYR 90 CO 0.10 0.16 -0.19 -1.12 -1.11 0.00 0.00 175.55 173.39 3ghb s SER 91 N 0.51 2.30 0.08 2.29 0.01 0.17 -0.67 113.70 118.39 3ghb s SER 91 Ca 0.05 -0.69 0.03 0.00 1.31 0.00 0.00 55.95 56.65 3ghb s SER 91 Cb -0.12 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 65.95 3ghb s SER 91 CO 0.00 0.00 0.06 0.00 0.41 0.00 0.00 173.24 173.71 3ghb s THR 93 N -1.36 0.17 0.29 0.00 -4.23 -0.18 -1.63 115.64 108.71 3ghb s THR 93 Ca 0.28 -1.42 0.08 0.00 -1.18 0.00 0.00 61.69 59.45 3ghb s THR 93 Cb -0.12 -1.42 -0.04 0.00 1.34 0.00 0.00 72.50 72.27 3ghb s THR 93 CO 0.21 -0.78 0.16 0.42 -0.54 0.00 0.00 174.62 174.09 3ghb s THR 94 N -3.89 3.68 -0.24 3.99 -4.23 -0.81 -0.01 115.64 114.12 3ghb s THR 94 Ca 0.06 -1.58 -0.10 0.00 -1.18 0.00 0.00 61.69 58.89 3ghb s THR 94 Cb 0.06 -3.12 -0.05 0.00 1.34 0.00 0.00 72.50 70.73 3ghb s THR 94 CO -0.10 -0.28 0.14 -1.81 -0.54 0.00 0.00 174.62 172.03 3ghb s ASP 95 N -3.84 5.86 0.00 3.99 1.01 -0.53 -1.40 116.67 121.76 3ghb s ASP 95 Ca 0.35 0.02 0.00 0.00 0.71 0.00 0.00 52.55 53.64 3ghb s ASP 95 Cb -0.06 -2.06 0.00 0.00 1.01 0.00 0.00 42.92 41.81 3ghb s ASP 95 CO 0.24 0.04 0.00 0.61 0.21 0.00 0.00 175.17 176.26 3ghb n GLY 96 N 4.47 3.97 3.41 0.21 0.00 0.91 -4.44 105.19 113.72 3ghb n GLY 96 Ca -0.15 -2.19 -0.11 0.00 0.00 0.00 0.00 46.02 43.56 3ghb n GLY 96 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ghb s PHE 97 N -0.66 -0.43 -0.18 1.61 -0.12 -1.26 -1.57 117.98 115.38 3ghb s PHE 97 Ca 0.00 0.17 -0.01 0.00 -0.05 0.00 0.00 56.93 57.04 3ghb s PHE 97 Cb 0.00 0.48 -0.00 0.00 -0.63 0.00 0.00 43.02 42.87 3ghb s PHE 97 CO 0.00 -0.83 -0.12 0.42 -0.05 0.00 0.00 175.22 174.64 3ghb s ILE 98 N -3.77 2.83 -0.14 -4.49 -1.09 -1.26 -5.02 121.20 108.26 3ghb s ILE 98 Ca 0.02 -0.70 -0.07 0.00 -2.23 0.00 0.00 60.65 57.67 3ghb s ILE 98 Cb -0.00 -2.23 -0.04 0.00 -1.58 0.00 0.00 42.46 38.61 3ghb s ILE 98 CO -0.12 0.49 0.12 -0.32 -1.23 0.00 0.00 174.94 173.88 3ghb s MET 99 N 1.04 3.57 -0.11 2.79 1.75 -1.26 -5.09 119.30 121.99 3ghb s MET 99 Ca -0.01 -0.19 0.03 0.00 -1.25 0.00 0.00 55.69 54.27 3ghb s MET 99 Cb -0.15 -3.19 0.01 0.00 2.84 0.00 0.00 34.83 34.34 3ghb s MET 99 CO -0.03 0.65 -0.22 0.42 -0.65 0.00 0.00 175.02 175.19 3ghb s ILE 100 N -0.66 1.95 -0.58 10.11 -1.09 -1.26 -5.08 121.20 124.58 3ghb s ILE 100 Ca 0.13 -0.93 -0.22 0.00 -2.23 0.00 0.00 60.65 57.39 3ghb s ILE 100 Cb -0.12 -1.71 0.06 0.00 -1.58 0.00 0.00 42.46 39.11 3ghb s ILE 100 CO 0.02 0.53 0.87 -0.13 -1.23 0.00 0.00 174.94 175.01 3ghb s ARG 100 N 0.61 3.20 0.76 2.79 0.52 -1.26 -4.32 118.95 121.24 3ghb s ARG 100 Ca -0.13 -0.65 -0.10 0.00 -0.52 0.00 0.00 55.73 54.34 3ghb s ARG 100 Cb -0.17 -4.14 0.07 0.00 0.52 0.00 0.00 34.95 31.24 3ghb s ARG 100 CO 0.03 -1.55 1.11 0.20 0.02 0.00 0.00 175.30 175.11 3ghb s GLY 100 N 3.15 1.63 0.00 -3.53 0.00 -0.51 -4.90 107.32 103.15 3ghb s GLY 100 Ca 0.23 -0.74 0.07 0.00 0.00 0.00 0.00 44.72 44.29 3ghb s GLY 100 CO 0.14 -0.29 1.08 1.55 0.00 0.00 0.00 173.10 175.57 3ghb n VAL 100 N -3.13 0.81 0.08 1.40 3.14 -1.26 -4.17 118.33 115.20 3ghb n VAL 100 Ca 0.08 0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.66 3ghb n VAL 100 Cb 0.61 -1.08 0.00 0.00 -1.06 0.00 0.00 33.84 32.30 3ghb n VAL 100 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 3ghb n SER 100 N -1.27 -0.05 -4.66 6.55 2.88 -1.26 -5.13 113.62 110.67 3ghb n SER 100 Ca 0.04 0.26 -0.26 0.00 -1.33 0.00 0.00 58.87 57.58 3ghb n SER 100 Cb 0.06 0.20 -0.08 0.00 -0.75 0.00 0.00 64.21 63.64 3ghb n SER 100 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3ghb s GLU 100 N -1.54 2.40 0.00 -1.46 0.41 -1.26 -5.17 118.70 112.07 3ghb s GLU 100 Ca 0.00 -1.15 0.00 0.00 -0.41 0.00 0.00 54.97 53.41 3ghb s GLU 100 Cb 0.00 -2.34 0.00 0.00 -1.78 0.00 0.00 34.13 30.01 3ghb s GLU 100 CO 0.00 0.44 0.00 -0.25 -0.49 0.00 0.00 175.26 174.96 3ghb n ASP 100 N -0.25 0.00 0.00 -0.19 8.00 -1.26 -1.43 116.55 121.42 3ghb n ASP 100 Ca -0.09 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.77 3ghb n ASP 100 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 3ghb n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ghb n TYR 100 N -0.89 0.00 -2.38 1.24 4.11 -0.61 -4.91 117.16 113.73 3ghb n TYR 100 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.47 3ghb n TYR 100 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.32 3ghb n TYR 100 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.86 175.22 3ghb s MET 100 N -2.41 3.97 0.00 -3.48 -1.94 -1.26 -0.06 119.30 114.11 3ghb s MET 100 Ca 0.00 1.40 0.00 0.00 -1.71 0.00 0.00 55.69 55.38 3ghb s MET 100 Cb 0.00 -3.88 0.00 0.00 2.01 0.00 0.00 34.83 32.96 3ghb s MET 100 CO 0.00 -1.06 0.00 -3.47 -0.01 0.00 0.00 175.02 170.48 3ghb n ASP 101 N 7.52 0.00 -4.79 3.03 2.03 -0.49 -4.87 116.55 118.98 3ghb n ASP 101 Ca 0.15 0.13 -0.38 0.00 0.52 0.00 0.00 54.79 55.21 3ghb n ASP 101 Cb 0.46 -0.44 -0.06 0.00 -0.72 0.00 0.00 41.12 40.36 3ghb n ASP 101 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3ghb s VAL 102 N -0.87 4.98 -0.04 5.18 1.01 -1.26 -4.93 120.40 124.47 3ghb s VAL 102 Ca 0.00 1.03 0.04 0.00 0.00 0.00 0.00 61.98 63.05 3ghb s VAL 102 Cb 0.00 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 3ghb s VAL 102 CO 0.00 0.48 -0.16 0.26 0.00 0.00 0.00 175.10 175.68 3ghb s TRP 103 N -0.51 1.58 0.77 5.22 0.52 -1.26 -1.92 118.94 123.33 3ghb s TRP 103 Ca 0.27 -0.43 -0.09 0.00 0.02 0.00 0.00 56.10 55.86 3ghb s TRP 103 Cb -0.17 -1.07 0.08 0.00 -1.15 0.00 0.00 33.47 31.17 3ghb s TRP 103 CO 0.15 -0.14 1.11 0.20 0.02 0.00 0.00 176.95 178.28 3ghb s GLY 104 N 0.02 1.66 0.00 0.98 0.00 -0.65 -4.63 107.32 104.70 3ghb s GLY 104 Ca -0.03 -0.88 0.28 0.00 0.00 0.00 0.00 44.72 44.10 3ghb s GLY 104 CO 0.02 -0.40 1.83 0.28 0.00 0.00 0.00 173.10 174.83 3ghb n LYS 105 N -3.16 0.07 0.00 2.90 5.02 -1.26 -4.76 118.16 116.98 3ghb n LYS 105 Ca 0.09 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3ghb n LYS 105 Cb 0.61 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 3ghb n LYS 105 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ghb n GLY 106 N 1.47 -0.75 3.10 0.72 0.00 -1.26 -4.97 105.19 103.50 3ghb n GLY 106 Ca 0.08 -1.60 -0.20 0.00 0.00 0.00 0.00 46.02 44.29 3ghb n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ghb s THR 107 N -3.03 0.99 -0.10 2.61 -1.32 0.15 -4.81 115.64 110.14 3ghb s THR 107 Ca 0.00 -0.70 -0.18 0.00 -1.21 0.00 0.00 61.69 59.60 3ghb s THR 107 Cb 0.00 -0.86 -0.04 0.00 -1.51 0.00 0.00 72.50 70.08 3ghb s THR 107 CO 0.00 0.16 0.50 -0.89 -2.21 0.00 0.00 174.62 172.17 3ghb s THR 108 N -0.51 5.14 -0.16 5.08 2.01 -1.26 -0.12 115.64 125.82 3ghb s THR 108 Ca 0.03 1.00 0.01 0.00 0.31 0.00 0.00 61.69 63.05 3ghb s THR 108 Cb -0.06 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 68.63 3ghb s THR 108 CO 0.00 0.35 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.40 3ghb s VAL 109 N 0.44 2.25 -0.23 3.82 1.01 -0.42 -1.43 120.40 125.85 3ghb s VAL 109 Ca 0.27 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3ghb s VAL 109 Cb -0.16 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.32 3ghb s VAL 109 CO 0.12 0.53 -0.13 -0.89 0.00 0.00 0.00 175.10 174.73 3ghb s THR 110 N 1.03 2.37 -0.39 3.92 2.01 -0.57 -1.62 115.64 122.38 3ghb s THR 110 Ca -0.02 -1.18 -0.10 0.00 0.31 0.00 0.00 61.69 60.71 3ghb s THR 110 Cb -0.14 -2.19 0.05 0.00 0.01 0.00 0.00 72.50 70.23 3ghb s THR 110 CO -0.06 0.25 0.23 -0.69 -0.69 0.00 0.00 174.62 173.66 3ghb s VAL 111 N 1.24 4.37 0.05 3.82 1.01 -1.26 -0.31 120.40 129.32 3ghb s VAL 111 Ca -0.01 -1.13 -0.27 0.00 0.00 0.00 0.00 61.98 60.57 3ghb s VAL 111 Cb -0.16 -3.55 0.08 0.00 0.00 0.00 0.00 36.38 32.75 3ghb s VAL 111 CO -0.08 -0.36 0.73 -0.55 0.00 0.00 0.00 175.10 174.85 3ghb s SER 112 N 1.82 -0.51 0.00 3.32 0.15 -0.46 -4.33 113.70 113.69 3ghb s SER 112 Ca 0.02 0.15 0.18 0.00 0.70 0.00 0.00 55.95 57.00 3ghb s SER 112 Cb -0.21 0.50 0.54 0.00 -1.71 0.00 0.00 66.02 65.14 3ghb s SER 112 CO 0.04 -0.75 1.43 -1.54 1.20 0.00 0.00 173.24 173.62 3ghb n SER 113 N -0.04 2.40 -4.80 5.45 3.41 -1.26 -4.07 113.62 114.72 3ghb n SER 113 Ca -0.14 -1.90 -0.33 0.00 -0.26 0.00 0.00 58.87 56.24 3ghb n SER 113 Cb 0.62 -0.23 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 3ghb n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ghb s ALA 114 N -1.54 2.71 0.16 7.33 0.00 -1.26 -5.07 121.76 124.08 3ghb s ALA 114 Ca 0.33 0.46 -0.13 0.00 0.00 0.00 0.00 51.96 52.62 3ghb s ALA 114 Cb 0.18 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 20.06 3ghb s ALA 114 CO 0.25 -0.84 0.37 -1.54 0.00 0.00 0.00 175.76 174.00 3ghb s SER 115 N -2.64 -0.09 -0.38 0.00 1.04 -1.26 -5.06 113.70 105.32 3ghb s SER 115 Ca 0.65 -0.65 -0.35 0.00 0.48 0.00 0.00 55.95 56.08 3ghb s SER 115 Cb -0.17 0.48 -0.15 0.00 0.10 0.00 0.00 66.02 66.28 3ghb s SER 115 CO 0.36 -0.93 1.33 0.41 0.98 0.00 0.00 173.24 175.39 3ghb n THR 116 N -0.24 0.00 -3.76 2.02 -1.04 -1.25 -4.72 114.28 105.28 3ghb n THR 116 Ca -0.10 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.78 3ghb n THR 116 Cb 0.63 -0.38 -0.12 0.00 -1.82 0.00 0.00 70.33 68.64 3ghb n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3ghb s LYS 117 N 2.93 0.25 0.74 -2.82 2.20 0.52 -4.95 119.74 118.60 3ghb s LYS 117 Ca 0.83 0.43 -0.11 0.00 -0.36 0.00 0.00 55.97 56.75 3ghb s LYS 117 Cb -1.13 0.02 0.03 0.00 -1.51 0.00 0.00 37.83 35.25 3ghb s LYS 117 CO 0.58 -0.09 1.09 0.20 -0.36 0.00 0.00 175.35 176.77 3ghb s GLY 118 N 0.63 1.63 0.39 5.54 0.00 -1.26 -1.83 107.32 112.42 3ghb s GLY 118 Ca -0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 44.72 44.42 3ghb s GLY 118 CO -0.04 0.15 0.64 2.56 0.00 0.00 0.00 173.10 176.41 3ghb s PRO 119 N -5.24 3.53 -0.17 2.90 0.04 -1.26 -4.49 135.00 130.31 3ghb s PRO 119 Ca 0.59 -0.08 -0.10 0.00 0.04 0.00 0.00 61.00 61.46 3ghb s PRO 119 Cb -0.13 -2.55 -0.05 0.00 0.04 0.00 0.00 34.50 31.81 3ghb s PRO 119 CO 0.53 0.03 0.15 -1.12 0.04 0.00 0.00 177.00 176.63 3ghb s SER 120 N -3.92 6.28 -0.15 6.66 0.01 -0.30 -4.91 113.70 117.36 3ghb s SER 120 Ca 0.43 0.32 -0.02 0.00 1.31 0.00 0.00 55.95 57.99 3ghb s SER 120 Cb -0.10 -2.09 -0.02 0.00 0.21 0.00 0.00 66.02 64.02 3ghb s SER 120 CO 0.38 0.24 -0.08 -0.69 0.41 0.00 0.00 173.24 173.50 3ghb s VAL 121 N -0.01 3.49 0.06 3.43 1.01 -1.26 -0.89 120.40 126.23 3ghb s VAL 121 Ca 0.11 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.67 3ghb s VAL 121 Cb -0.11 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3ghb s VAL 121 CO 0.00 0.50 -0.22 -0.36 0.00 0.00 0.00 175.10 175.02 3ghb s PHE 122 N 0.49 1.88 0.35 5.22 0.08 -0.43 -4.96 117.98 120.61 3ghb s PHE 122 Ca -0.06 -0.39 -0.26 0.00 0.12 0.00 0.00 56.93 56.34 3ghb s PHE 122 Cb -0.15 -1.09 -0.09 0.00 -0.57 0.00 0.00 43.02 41.12 3ghb s PHE 122 CO 0.03 0.14 1.05 -1.25 -0.10 0.00 0.00 175.22 175.09 3ghb s PRO 123 N -1.42 4.39 -0.26 0.24 0.04 -1.26 -0.22 135.00 136.50 3ghb s PRO 123 Ca 0.08 1.58 -0.02 0.00 0.04 0.00 0.00 61.00 62.68 3ghb s PRO 123 Cb -0.09 -2.80 0.03 0.00 0.04 0.00 0.00 34.50 31.68 3ghb s PRO 123 CO 0.03 0.04 -0.04 -0.51 0.04 0.00 0.00 177.00 176.56 3ghb s LEU 124 N -2.15 3.42 0.03 -3.56 1.43 0.12 -4.80 118.68 113.17 3ghb s LEU 124 Ca 0.52 -1.00 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 3ghb s LEU 124 Cb -0.25 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 3ghb s LEU 124 CO 0.31 -0.17 -0.11 0.00 0.23 0.00 0.00 176.35 176.61 3ghb s ALA 125 N 1.30 0.94 0.43 4.21 0.00 -1.26 -0.86 121.76 126.52 3ghb s ALA 125 Ca -0.02 -0.69 -0.26 0.00 0.00 0.00 0.00 51.96 50.99 3ghb s ALA 125 Cb -0.18 -0.14 -0.09 0.00 0.00 0.00 0.00 23.12 22.71 3ghb s ALA 125 CO -0.03 0.16 1.42 -0.35 0.00 0.00 0.00 175.76 176.96 3ghb n PRO 126 N 2.08 2.28 0.31 0.00 -0.04 -1.26 -4.95 135.00 133.43 3ghb n PRO 126 Ca -0.18 0.81 -0.13 0.00 -0.04 0.00 0.00 63.50 63.97 3ghb n PRO 126 Cb 0.55 -2.60 -0.06 0.00 -0.04 0.00 0.00 33.50 31.35 3ghb n PRO 126 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ghb s SER 128 N -3.23 7.21 0.38 0.00 0.15 -1.26 -4.98 113.70 111.97 3ghb s SER 128 Ca -0.12 2.12 -0.26 0.00 0.70 0.00 0.00 55.95 58.39 3ghb s SER 128 Cb 0.01 -2.60 -0.11 0.00 -1.71 0.00 0.00 66.02 61.61 3ghb s SER 128 CO 0.36 -0.27 1.18 -1.14 1.20 0.00 0.00 173.24 174.57 3ghb n ARG 129 N 2.47 1.78 -2.25 5.44 0.63 -1.26 -4.92 116.66 118.55 3ghb n ARG 129 Ca 0.03 0.63 -0.41 0.00 -0.92 0.00 0.00 57.85 57.19 3ghb n ARG 129 Cb 0.46 -2.21 -0.03 0.00 0.45 0.00 0.00 32.46 31.13 3ghb n ARG 129 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3ghb s SER 130 N -0.51 6.96 -0.11 6.15 0.01 -1.26 -5.03 113.70 119.90 3ghb s SER 130 Ca 0.59 2.53 -0.00 0.00 1.31 0.00 0.00 55.95 60.38 3ghb s SER 130 Cb -0.57 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.00 3ghb s SER 130 CO 0.59 -0.39 -0.10 0.42 0.41 0.00 0.00 173.24 174.17 3ghb s THR 131 N -1.13 3.35 0.77 1.44 -4.23 -1.26 -3.60 115.64 110.98 3ghb s THR 131 Ca 0.47 -0.57 -0.16 0.00 -1.18 0.00 0.00 61.69 60.25 3ghb s THR 131 Cb -0.37 -2.40 -0.09 0.00 1.34 0.00 0.00 72.50 70.98 3ghb s THR 131 CO 0.48 0.54 -0.03 -1.54 -0.54 0.00 0.00 174.62 173.54 3ghb n SER 132 N 3.14 -3.28 0.00 3.99 3.41 -1.26 -4.68 113.62 114.94 3ghb n SER 132 Ca -0.18 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 3ghb n SER 132 Cb 0.53 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 3ghb n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ghb n GLY 133 N 2.37 -2.87 4.80 5.00 0.00 -1.26 -4.82 105.19 108.41 3ghb n GLY 133 Ca 0.06 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3ghb n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ghb n GLY 134 N -0.59 -1.68 3.44 -0.02 0.00 -1.26 -4.66 105.19 100.42 3ghb n GLY 134 Ca 0.00 -1.55 -0.23 0.00 0.00 0.00 0.00 46.02 44.25 3ghb n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ghb s THR 135 N 0.00 2.18 0.08 2.61 -4.23 -1.26 -0.90 115.64 114.12 3ghb s THR 135 Ca 0.00 -2.31 0.07 0.00 -1.18 0.00 0.00 61.69 58.27 3ghb s THR 135 Cb 0.00 -2.30 -0.03 0.00 1.34 0.00 0.00 72.50 71.51 3ghb s THR 135 CO 0.00 -0.41 -0.18 0.00 -0.54 0.00 0.00 174.62 173.49 3ghb s ALA 136 N -2.69 1.50 -0.07 3.99 0.00 0.10 -4.62 121.76 119.98 3ghb s ALA 136 Ca 0.28 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 51.20 3ghb s ALA 136 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 3ghb s ALA 136 CO 0.13 0.28 -0.20 0.00 0.00 0.00 0.00 175.76 175.98 3ghb s ALA 137 N -1.11 2.40 0.13 0.00 0.00 -1.26 -0.84 121.76 121.08 3ghb s ALA 137 Ca 0.03 -0.99 -0.00 0.00 0.00 0.00 0.00 51.96 51.00 3ghb s ALA 137 Cb -0.10 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 3ghb s ALA 137 CO 0.03 0.41 0.02 -0.48 0.00 0.00 0.00 175.76 175.74 3ghb s LEU 138 N -0.18 2.03 0.00 0.00 0.05 -0.78 -4.31 118.68 115.48 3ghb s LEU 138 Ca -0.02 -1.15 0.00 0.00 0.05 0.00 0.00 54.13 53.01 3ghb s LEU 138 Cb -0.14 0.16 0.00 0.00 -2.05 0.00 0.00 46.19 44.16 3ghb s LEU 138 CO 0.03 -0.65 0.00 0.61 -0.55 0.00 0.00 176.35 175.80 3ghb n GLY 139 N -0.10 0.80 2.96 -3.48 0.00 -0.04 -0.72 105.19 104.61 3ghb n GLY 139 Ca -0.07 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 3ghb n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghb s LEU 141 N 0.54 4.05 -0.52 0.00 2.96 0.70 -1.95 118.68 124.44 3ghb s LEU 141 Ca -0.08 0.11 -0.11 0.00 -0.22 0.00 0.00 54.13 53.83 3ghb s LEU 141 Cb -0.12 -2.22 0.13 0.00 0.50 0.00 0.00 46.19 44.49 3ghb s LEU 141 CO 0.01 -0.07 0.43 -0.69 -1.32 0.00 0.00 176.35 174.71 3ghb s VAL 142 N 1.72 4.59 0.09 1.68 1.01 0.42 -1.31 120.40 128.58 3ghb s VAL 142 Ca 0.10 -1.80 -0.03 0.00 0.00 0.00 0.00 61.98 60.25 3ghb s VAL 142 Cb -0.16 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 3ghb s VAL 142 CO 0.10 -0.83 0.28 -0.54 0.00 0.00 0.00 175.10 174.11 3ghb s LYS 143 N 1.28 3.53 -0.97 2.72 1.02 -0.07 -1.05 119.74 126.20 3ghb s LYS 143 Ca 0.06 -0.25 -0.13 0.00 0.02 0.00 0.00 55.97 55.67 3ghb s LYS 143 Cb -0.26 -2.97 0.01 0.00 -0.52 0.00 0.00 37.83 34.10 3ghb s LYS 143 CO -0.00 0.56 0.66 -0.25 -0.92 0.00 0.00 175.35 175.39 3ghb n ASP 144 N 0.33 -4.95 -4.56 2.83 8.00 -0.71 -1.15 116.55 116.34 3ghb n ASP 144 Ca -0.05 -1.00 -0.26 0.00 0.71 0.00 0.00 54.79 54.19 3ghb n ASP 144 Cb 0.52 -2.18 -0.10 0.00 -0.02 0.00 0.00 41.12 39.34 3ghb n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3ghb s TYR 145 N -3.21 2.43 -0.29 1.24 1.13 -0.51 -4.42 117.35 113.73 3ghb s TYR 145 Ca 0.21 -0.48 -0.20 0.00 -1.41 0.00 0.00 57.07 55.19 3ghb s TYR 145 Cb -0.10 -1.39 0.14 0.00 -1.10 0.00 0.00 41.96 39.51 3ghb s TYR 145 CO 0.90 0.56 1.05 0.12 -2.51 0.00 0.00 175.55 175.68 3ghb s PHE 146 N -2.58 -0.46 0.13 -3.49 2.19 -0.76 -0.81 117.98 112.20 3ghb s PHE 146 Ca 0.33 1.00 0.01 0.00 0.33 0.00 0.00 56.93 58.59 3ghb s PHE 146 Cb 0.02 0.35 0.02 0.00 -1.31 0.00 0.00 43.02 42.10 3ghb s PHE 146 CO 0.17 -0.23 0.18 -0.35 1.83 0.00 0.00 175.22 176.83 3ghb n PRO 147 N 2.95 0.64 -1.40 10.12 -0.04 -1.26 -0.35 135.00 145.65 3ghb n PRO 147 Ca -0.16 -0.56 -0.32 0.00 -0.04 0.00 0.00 63.50 62.43 3ghb n PRO 147 Cb 0.57 -0.10 0.08 0.00 -0.04 0.00 0.00 33.50 34.01 3ghb n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3ghb s GLU 148 N -2.77 2.38 0.52 0.54 0.41 -1.26 -4.78 118.70 113.74 3ghb s GLU 148 Ca 0.13 1.27 0.06 0.00 -0.41 0.00 0.00 54.97 56.02 3ghb s GLU 148 Cb -0.01 -1.91 0.03 0.00 -1.78 0.00 0.00 34.13 30.46 3ghb s GLU 148 CO 0.08 -1.56 0.41 -1.25 -0.49 0.00 0.00 175.26 172.45 3ghb s PRO 149 N -4.60 2.29 0.08 0.39 0.04 -1.26 -4.96 135.00 126.98 3ghb s PRO 149 Ca 0.64 -1.93 0.05 0.00 0.04 0.00 0.00 61.00 59.80 3ghb s PRO 149 Cb -0.19 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 3ghb s PRO 149 CO 0.51 -0.55 -0.13 0.54 0.04 0.00 0.00 177.00 177.41 3ghb s VAL 150 N -2.72 1.06 0.05 -0.36 0.11 -1.26 -4.44 120.40 112.84 3ghb s VAL 150 Ca 0.38 -1.38 0.08 0.00 -2.93 0.00 0.00 61.98 58.13 3ghb s VAL 150 Cb -0.02 -1.12 -0.03 0.00 -1.53 0.00 0.00 36.38 33.68 3ghb s VAL 150 CO 0.23 -0.31 -0.24 0.42 -3.33 0.00 0.00 175.10 171.88 3ghb s THR 151 N -1.54 1.92 -0.04 5.04 -4.23 -0.19 -4.97 115.64 111.63 3ghb s THR 151 Ca -0.00 -1.32 0.02 0.00 -1.18 0.00 0.00 61.69 59.21 3ghb s THR 151 Cb -0.08 -1.66 0.01 0.00 1.34 0.00 0.00 72.50 72.11 3ghb s THR 151 CO 0.02 0.28 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.61 3ghb s VAL 152 N -0.82 0.76 0.23 2.29 1.01 -1.26 -1.11 120.40 121.50 3ghb s VAL 152 Ca 0.10 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.82 3ghb s VAL 152 Cb -0.09 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 3ghb s VAL 152 CO 0.02 0.26 0.01 -0.94 0.00 0.00 0.00 175.10 174.45 3ghb s SER 153 N 0.58 1.67 -0.05 3.32 1.04 -0.87 -4.97 113.70 114.42 3ghb s SER 153 Ca -0.09 -1.23 0.05 0.00 0.48 0.00 0.00 55.95 55.16 3ghb s SER 153 Cb -0.13 0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 3ghb s SER 153 CO 0.01 -0.55 -0.22 0.26 0.98 0.00 0.00 173.24 173.73 3ghb s TRP 154 N -3.49 2.15 -1.40 5.02 0.52 -1.26 -0.38 118.94 120.10 3ghb s TRP 154 Ca 0.29 -0.62 -0.01 0.00 0.02 0.00 0.00 56.10 55.77 3ghb s TRP 154 Cb 0.06 -1.42 0.01 0.00 -1.15 0.00 0.00 33.47 30.97 3ghb s TRP 154 CO 0.08 -0.19 0.51 0.09 0.02 0.00 0.00 176.95 177.46 3ghb n ASN 155 N 3.01 -0.72 -3.04 2.95 3.02 0.46 -1.13 115.26 119.80 3ghb n ASN 155 Ca -0.18 -0.96 -0.22 0.00 -0.03 0.00 0.00 54.58 53.20 3ghb n ASN 155 Cb 0.52 -3.29 0.02 0.00 -0.61 0.00 0.00 39.78 36.42 3ghb n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3ghb n SER 156 N -2.99 -5.18 0.00 6.41 7.64 -1.26 -1.40 113.62 116.84 3ghb n SER 156 Ca -0.29 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.33 3ghb n SER 156 Cb 0.67 -4.23 0.00 0.00 -1.01 0.00 0.00 64.21 59.64 3ghb n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ghb n GLY 157 N -1.33 1.62 0.25 0.23 0.00 -0.29 -4.88 105.19 100.80 3ghb n GLY 157 Ca -0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.07 3ghb n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghb h ALA 158 N 0.00 1.00 -3.16 4.61 0.00 -1.15 -3.41 119.26 117.15 3ghb h ALA 158 Ca 0.00 -0.07 -0.67 0.00 0.00 0.00 0.00 54.91 54.16 3ghb h ALA 158 Cb 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 17.48 3ghb h ALA 158 CO 0.00 0.10 -0.71 -1.17 0.00 0.00 0.00 179.25 177.47 3ghb s LEU 159 N -6.39 3.29 0.00 0.00 2.96 -1.06 -4.90 118.68 112.58 3ghb s LEU 159 Ca 0.02 -0.75 0.00 0.00 -0.22 0.00 0.00 54.13 53.17 3ghb s LEU 159 Cb 0.09 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 45.05 3ghb s LEU 159 CO 0.59 -0.12 0.00 0.35 -1.32 0.00 0.00 176.35 175.85 3ghb n THR 160 N 4.74 0.00 -2.10 3.68 -2.24 -1.26 -4.12 114.28 112.97 3ghb n THR 160 Ca -0.16 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 3ghb n THR 160 Cb 0.48 -0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 3ghb n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ghb s SER 161 N -1.81 6.75 -0.06 3.42 0.15 -1.26 -2.40 113.70 118.49 3ghb s SER 161 Ca 0.00 2.28 0.00 0.00 0.70 0.00 0.00 55.95 58.93 3ghb s SER 161 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 3ghb s SER 161 CO 0.00 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.27 3ghb n GLY 162 N 3.77 0.46 3.78 9.45 0.00 -1.26 -4.75 105.19 116.63 3ghb n GLY 162 Ca 0.14 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3ghb n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ghb s VAL 163 N -1.89 5.15 -0.19 1.61 1.01 -1.01 -1.01 120.40 124.07 3ghb s VAL 163 Ca 0.00 0.80 -0.04 0.00 0.00 0.00 0.00 61.98 62.73 3ghb s VAL 163 Cb 0.00 -3.72 0.08 0.00 0.00 0.00 0.00 36.38 32.74 3ghb s VAL 163 CO 0.00 0.45 0.19 -2.28 0.00 0.00 0.00 175.10 173.46 3ghb s HIS 164 N -0.17 -0.16 -0.20 5.22 2.46 0.65 -5.00 115.29 118.09 3ghb s HIS 164 Ca 0.23 0.10 -0.11 0.00 0.47 0.00 0.00 55.06 55.75 3ghb s HIS 164 Cb -0.15 -0.44 -0.05 0.00 -0.13 0.00 0.00 32.58 31.81 3ghb s HIS 164 CO 0.10 -0.57 0.17 0.99 -2.47 0.00 0.00 174.74 172.96 3ghb s THR 165 N 2.28 5.37 0.13 0.89 2.01 -1.26 -1.17 115.64 123.90 3ghb s THR 165 Ca 0.06 0.27 -0.04 0.00 0.31 0.00 0.00 61.69 62.29 3ghb s THR 165 Cb -0.16 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 3ghb s THR 165 CO -0.11 0.40 0.35 -0.36 -0.69 0.00 0.00 174.62 174.21 3ghb s PHE 166 N 0.56 3.48 0.54 4.92 0.40 -0.03 -5.00 117.98 122.85 3ghb s PHE 166 Ca 0.10 0.50 -0.22 0.00 -0.60 0.00 0.00 56.93 56.71 3ghb s PHE 166 Cb -0.12 -1.96 -0.05 0.00 0.51 0.00 0.00 43.02 41.40 3ghb s PHE 166 CO 0.01 0.46 1.30 -2.30 0.70 0.00 0.00 175.22 175.38 3ghb n PRO 167 N 0.08 1.63 -1.38 0.24 -0.02 -1.26 -4.32 135.00 129.97 3ghb n PRO 167 Ca -0.03 0.60 -0.31 0.00 -2.02 0.00 0.00 63.50 61.74 3ghb n PRO 167 Cb 0.52 -2.50 0.08 0.00 -0.02 0.00 0.00 33.50 31.57 3ghb n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ghb s ALA 168 N -1.30 2.41 0.03 3.55 0.00 -1.26 -4.78 121.76 120.40 3ghb s ALA 168 Ca 0.71 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.91 3ghb s ALA 168 Cb -0.43 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3ghb s ALA 168 CO 0.50 -1.57 -0.03 0.54 0.00 0.00 0.00 175.76 175.20 3ghb s VAL 169 N -2.94 3.91 -0.23 0.00 0.11 0.53 -4.93 120.40 116.85 3ghb s VAL 169 Ca 0.60 -0.79 -0.08 0.00 -2.93 0.00 0.00 61.98 58.79 3ghb s VAL 169 Cb -0.16 -2.77 -0.04 0.00 -1.53 0.00 0.00 36.38 31.89 3ghb s VAL 169 CO 0.55 0.30 0.08 -0.22 -3.33 0.00 0.00 175.10 172.49 3ghb s LEU 170 N -1.73 3.62 0.60 2.54 2.96 -1.26 -2.05 118.68 123.36 3ghb s LEU 170 Ca 0.20 -0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 53.97 3ghb s LEU 170 Cb -0.11 -1.95 0.02 0.00 0.50 0.00 0.00 46.19 44.64 3ghb s LEU 170 CO 0.11 0.04 0.91 -1.10 -1.32 0.00 0.00 176.35 174.99 3ghb s GLN 171 N 1.18 2.82 0.51 1.98 -0.21 -0.26 -4.97 119.66 120.71 3ghb s GLN 171 Ca 0.05 -0.07 0.18 0.00 0.02 0.00 0.00 55.36 55.54 3ghb s GLN 171 Cb -0.14 -2.27 1.30 0.00 1.00 0.00 0.00 33.01 32.89 3ghb s GLN 171 CO 0.04 -0.76 2.12 0.66 -2.12 0.00 0.00 175.29 175.23 3ghb h SER 172 N -0.21 0.00 0.65 5.90 4.64 -1.99 -1.43 113.55 121.12 3ghb h SER 172 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3ghb h SER 172 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3ghb h SER 172 CO 0.60 0.06 0.00 0.77 -0.87 0.00 0.00 176.83 177.39 3ghb h SER 173 N 0.00 0.00 0.00 4.97 4.64 -2.02 -3.46 113.55 117.68 3ghb h SER 173 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ghb h SER 173 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3ghb h SER 173 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3ghb n GLY 174 N -0.22 0.40 3.89 -0.77 0.00 -0.54 -4.40 105.19 103.56 3ghb n GLY 174 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3ghb n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ghb s LEU 175 N 0.00 4.25 0.29 0.99 1.43 -1.26 -4.86 118.68 119.52 3ghb s LEU 175 Ca 0.00 0.70 0.07 0.00 -1.03 0.00 0.00 54.13 53.86 3ghb s LEU 175 Cb 0.00 -3.35 -0.03 0.00 0.03 0.00 0.00 46.19 42.84 3ghb s LEU 175 CO 0.00 0.04 0.32 -0.31 0.23 0.00 0.00 176.35 176.62 3ghb s TYR 176 N -1.66 3.15 -0.10 0.29 1.51 0.01 -1.11 117.35 119.44 3ghb s TYR 176 Ca 0.41 -0.15 -0.16 0.00 -1.01 0.00 0.00 57.07 56.16 3ghb s TYR 176 Cb -0.12 -1.66 0.04 0.00 -0.11 0.00 0.00 41.96 40.11 3ghb s TYR 176 CO 0.23 0.31 0.40 -1.12 -1.11 0.00 0.00 175.55 174.26 3ghb s SER 177 N -3.98 -0.37 0.23 2.29 0.01 -0.87 -1.42 113.70 109.59 3ghb s SER 177 Ca 0.37 0.59 -0.08 0.00 1.31 0.00 0.00 55.95 58.14 3ghb s SER 177 Cb -0.08 0.65 -0.02 0.00 0.21 0.00 0.00 66.02 66.79 3ghb s SER 177 CO 0.28 -0.27 0.34 -1.48 0.41 0.00 0.00 173.24 172.51 3ghb s LEU 178 N -0.37 0.66 0.07 2.44 0.05 -0.22 -0.35 118.68 120.96 3ghb s LEU 178 Ca -0.05 -1.10 0.05 0.00 0.05 0.00 0.00 54.13 53.08 3ghb s LEU 178 Cb -0.03 1.21 -0.03 0.00 -2.05 0.00 0.00 46.19 45.29 3ghb s LEU 178 CO 0.02 -1.02 -0.14 -0.44 -0.55 0.00 0.00 176.35 174.23 3ghb s SER 179 N -3.07 1.65 -0.05 1.48 0.01 -1.26 -0.44 113.70 112.02 3ghb s SER 179 Ca 0.29 -0.63 0.01 0.00 1.31 0.00 0.00 55.95 56.92 3ghb s SER 179 Cb 0.02 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.23 3ghb s SER 179 CO 0.10 -0.09 -0.06 -0.55 0.41 0.00 0.00 173.24 173.05 3ghb s SER 180 N -1.81 1.19 0.06 2.44 0.15 -0.82 -0.85 113.70 114.06 3ghb s SER 180 Ca -0.01 -0.17 0.04 0.00 0.70 0.00 0.00 55.95 56.51 3ghb s SER 180 Cb -0.09 -0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 63.65 3ghb s SER 180 CO 0.02 -0.05 -0.13 0.68 1.20 0.00 0.00 173.24 174.97 3ghb s VAL 181 N 0.94 1.00 -0.04 4.45 -7.23 -0.31 -1.26 120.40 117.94 3ghb s VAL 181 Ca -0.10 -1.15 0.05 0.00 -1.81 0.00 0.00 61.98 58.96 3ghb s VAL 181 Cb -0.14 -0.95 -0.01 0.00 0.56 0.00 0.00 36.38 35.83 3ghb s VAL 181 CO 0.00 -0.18 -0.19 0.54 -0.31 0.00 0.00 175.10 174.97 3ghb s VAL 182 N -1.14 1.55 -0.17 1.32 0.11 0.10 -0.25 120.40 121.92 3ghb s VAL 182 Ca -0.02 -0.79 -0.10 0.00 -2.93 0.00 0.00 61.98 58.14 3ghb s VAL 182 Cb -0.09 -1.32 -0.05 0.00 -1.53 0.00 0.00 36.38 33.39 3ghb s VAL 182 CO 0.02 0.44 0.15 -0.89 -3.33 0.00 0.00 175.10 171.48 3ghb s THR 183 N -0.06 5.42 0.05 5.04 2.01 -0.18 -1.87 115.64 126.06 3ghb s THR 183 Ca -0.02 0.23 -0.00 0.00 0.31 0.00 0.00 61.69 62.20 3ghb s THR 183 Cb -0.11 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 3ghb s THR 183 CO 0.02 0.49 -0.04 0.68 -0.69 0.00 0.00 174.62 175.08 3ghb s VAL 184 N -0.02 0.28 0.12 3.82 -7.23 -0.02 -4.67 120.40 112.68 3ghb s VAL 184 Ca 0.11 -1.73 -0.31 0.00 -1.81 0.00 0.00 61.98 58.24 3ghb s VAL 184 Cb -0.11 -1.41 -0.10 0.00 0.56 0.00 0.00 36.38 35.32 3ghb s VAL 184 CO 0.00 -0.92 1.80 -2.84 -0.31 0.00 0.00 175.10 172.83 3ghb s PRO 185 N -3.63 4.15 0.15 4.82 0.02 -1.26 0.03 135.00 139.28 3ghb s PRO 185 Ca 0.05 2.55 -0.17 0.00 0.02 0.00 0.00 61.00 63.45 3ghb s PRO 185 Cb 0.06 -3.58 0.06 0.00 0.02 0.00 0.00 34.50 31.05 3ghb s PRO 185 CO -0.08 -0.82 1.70 0.77 -0.33 0.00 0.00 177.00 178.24 3ghb h SER 186 N 8.52 -0.15 0.00 2.53 0.02 -1.28 -0.16 113.55 123.03 3ghb h SER 186 Ca -0.45 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3ghb h SER 186 Cb 1.21 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.90 3ghb h SER 186 CO 0.94 -0.04 0.00 -1.54 -1.14 0.00 0.00 176.83 175.06 3ghb n SER 187 N -5.18 0.00 -0.00 3.07 3.41 -1.26 -1.96 113.62 111.69 3ghb n SER 187 Ca 0.01 -0.43 0.09 0.00 -0.26 0.00 0.00 58.87 58.28 3ghb n SER 187 Cb 0.17 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.01 3ghb n SER 187 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ghb n SER 188 N -0.85 0.84 -4.68 4.04 3.41 -0.07 -4.98 113.62 111.34 3ghb n SER 188 Ca 0.05 -0.83 -0.45 0.00 -0.26 0.00 0.00 58.87 57.39 3ghb n SER 188 Cb 0.02 1.10 -0.03 0.00 -0.26 0.00 0.00 64.21 65.04 3ghb n SER 188 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ghb n LEU 189 N -1.52 3.22 0.00 1.04 4.77 -0.83 -1.47 117.00 122.21 3ghb n LEU 189 Ca 0.03 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.12 3ghb n LEU 189 Cb 0.31 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 39.96 3ghb n LEU 189 CO 0.38 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 3ghb n GLY 190 N 2.87 2.57 0.19 -0.72 0.00 -1.26 -4.80 105.19 104.04 3ghb n GLY 190 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 3ghb n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghb h THR 191 N 0.00 0.95 -2.62 2.61 1.03 -1.65 -3.47 112.91 109.76 3ghb h THR 191 Ca 0.00 -1.50 -0.06 0.00 -0.01 0.00 0.00 66.41 64.84 3ghb h THR 191 Cb 0.00 1.90 -0.01 0.00 -1.07 0.00 0.00 68.15 68.97 3ghb h THR 191 CO 0.00 0.38 0.04 0.00 -0.01 0.00 0.00 175.52 175.93 3ghb n GLN 192 N -3.61 0.42 -4.27 0.00 10.64 -1.26 -5.18 117.38 114.11 3ghb n GLN 192 Ca -0.01 -1.08 -0.24 0.00 -1.83 0.00 0.00 57.00 53.85 3ghb n GLN 192 Cb 0.50 1.20 -0.07 0.00 -0.86 0.00 0.00 30.24 31.00 3ghb n GLN 192 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 3ghb s THR 193 N -2.61 3.53 -0.14 -0.39 -4.23 -1.26 -5.07 115.64 105.47 3ghb s THR 193 Ca 0.09 -1.80 -0.01 0.00 -1.18 0.00 0.00 61.69 58.79 3ghb s THR 193 Cb -0.01 -2.86 0.04 0.00 1.34 0.00 0.00 72.50 71.00 3ghb s THR 193 CO 0.07 -0.32 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.50 3ghb s TYR 194 N -2.19 1.25 -0.11 3.99 2.02 -1.26 -4.98 117.35 116.07 3ghb s TYR 194 Ca 0.30 -0.75 0.02 0.00 -0.37 0.00 0.00 57.07 56.28 3ghb s TYR 194 Cb -0.07 -1.10 0.01 0.00 -0.40 0.00 0.00 41.96 40.40 3ghb s TYR 194 CO 0.20 -0.52 -0.18 0.99 -1.57 0.00 0.00 175.55 174.46 3ghb s THR 195 N 1.78 1.68 -0.05 -0.71 2.01 -1.26 -0.54 115.64 118.54 3ghb s THR 195 Ca 0.02 -0.77 -0.15 0.00 0.31 0.00 0.00 61.69 61.10 3ghb s THR 195 Cb -0.14 -1.50 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 3ghb s THR 195 CO -0.07 0.48 0.40 0.00 -0.69 0.00 0.00 174.62 174.73 3ghb s ASN 197 N -0.45 5.47 -0.19 0.00 -0.87 0.48 -1.88 114.94 117.50 3ghb s ASN 197 Ca 0.23 -1.46 -0.09 0.00 -1.57 0.00 0.00 52.86 49.96 3ghb s ASN 197 Cb -0.16 -1.92 -0.05 0.00 -0.02 0.00 0.00 41.25 39.10 3ghb s ASN 197 CO 0.11 -0.47 0.12 -0.69 -2.57 0.00 0.00 177.10 173.60 3ghb s VAL 198 N 1.37 5.31 -0.10 1.60 1.01 0.95 -2.05 120.40 128.50 3ghb s VAL 198 Ca 0.02 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.17 3ghb s VAL 198 Cb -0.22 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.76 3ghb s VAL 198 CO 0.01 0.45 -0.14 0.21 0.00 0.00 0.00 175.10 175.63 3ghb s ASN 199 N 0.32 2.29 -0.56 3.32 3.04 -0.26 -0.88 114.94 122.22 3ghb s ASN 199 Ca 0.07 -0.39 0.04 0.00 0.04 0.00 0.00 52.86 52.62 3ghb s ASN 199 Cb -0.11 -1.01 0.14 0.00 -1.54 0.00 0.00 41.25 38.73 3ghb s ASN 199 CO -0.02 -0.00 0.33 -2.28 -3.04 0.00 0.00 177.10 172.09 3ghb s HIS 200 N 1.03 3.07 0.22 0.43 5.65 0.04 -1.02 115.29 124.71 3ghb s HIS 200 Ca -0.06 -3.10 -0.07 0.00 0.25 0.00 0.00 55.06 52.08 3ghb s HIS 200 Cb -0.15 -2.60 0.35 0.00 -1.18 0.00 0.00 32.58 29.00 3ghb s HIS 200 CO -0.02 -0.69 1.75 -0.22 -0.65 0.00 0.00 174.74 174.91 3ghb h LYS 201 N 6.19 0.45 -1.08 2.88 1.63 -1.80 -1.15 116.57 123.69 3ghb h LYS 201 Ca 0.00 -0.03 0.29 0.00 -0.85 0.00 0.00 60.65 60.07 3ghb h LYS 201 Cb 0.86 -0.10 -0.10 0.00 -0.60 0.00 0.00 32.23 32.29 3ghb h LYS 201 CO 0.66 0.30 0.70 -1.35 -3.45 0.00 0.00 179.45 176.31 3ghb h PRO 202 N 0.47 0.32 -0.24 1.90 0.11 -1.90 0.20 132.00 132.85 3ghb h PRO 202 Ca 0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3ghb h PRO 202 Cb 0.46 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.50 3ghb h PRO 202 CO -0.33 0.21 0.00 -1.13 -0.21 0.00 0.00 178.00 176.54 3ghb n SER 203 N -4.61 2.63 -3.73 -2.05 3.41 -1.00 -4.98 113.62 103.29 3ghb n SER 203 Ca 0.27 -1.82 -0.30 0.00 -0.26 0.00 0.00 58.87 56.76 3ghb n SER 203 Cb 0.97 -0.16 0.03 0.00 -0.26 0.00 0.00 64.21 64.80 3ghb n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ghb n ASN 204 N 0.62 -4.33 -4.18 4.04 4.13 0.69 -4.91 115.26 111.32 3ghb n ASN 204 Ca 0.10 -1.01 -0.29 0.00 1.68 0.00 0.00 54.58 55.07 3ghb n ASN 204 Cb 0.39 -3.36 -0.16 0.00 -1.54 0.00 0.00 39.78 35.11 3ghb n ASN 204 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3ghb s THR 205 N -3.55 1.70 -0.04 3.41 2.01 -0.77 -5.01 115.64 113.39 3ghb s THR 205 Ca 0.38 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.56 3ghb s THR 205 Cb -0.14 -1.46 0.00 0.00 0.01 0.00 0.00 72.50 70.92 3ghb s THR 205 CO 0.86 0.48 -0.11 -0.54 -0.69 0.00 0.00 174.62 174.62 3ghb s LYS 206 N 0.10 1.26 -0.04 4.92 1.02 -1.26 -0.78 119.74 124.96 3ghb s LYS 206 Ca -0.08 -0.39 0.01 0.00 0.02 0.00 0.00 55.97 55.54 3ghb s LYS 206 Cb -0.14 -1.13 0.02 0.00 -0.52 0.00 0.00 37.83 36.06 3ghb s LYS 206 CO 0.04 0.12 -0.06 0.08 -0.92 0.00 0.00 175.35 174.61 3ghb s VAL 207 N 0.26 0.65 -0.22 3.17 1.01 -0.05 -4.99 120.40 120.22 3ghb s VAL 207 Ca -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 3ghb s VAL 207 Cb -0.11 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.65 3ghb s VAL 207 CO 0.01 0.24 -0.11 -1.81 0.00 0.00 0.00 175.10 173.43 3ghb s ASP 208 N 0.72 3.90 -0.12 3.32 1.01 -1.26 -0.04 116.67 124.20 3ghb s ASP 208 Ca -0.11 -0.75 -0.00 0.00 0.71 0.00 0.00 52.55 52.40 3ghb s ASP 208 Cb -0.13 -1.60 0.03 0.00 1.01 0.00 0.00 42.92 42.22 3ghb s ASP 208 CO 0.01 -0.07 -0.09 -0.75 0.21 0.00 0.00 175.17 174.49 3ghb s LYS 209 N 1.32 1.65 0.21 8.23 2.47 -0.79 -4.97 119.74 127.87 3ghb s LYS 209 Ca 0.02 -0.32 -0.30 0.00 -1.56 0.00 0.00 55.97 53.81 3ghb s LYS 209 Cb -0.15 -1.71 -0.08 0.00 -1.46 0.00 0.00 37.83 34.43 3ghb s LYS 209 CO -0.07 -0.27 0.96 0.50 0.16 0.00 0.00 175.35 176.62 3ghb s ARG 210 N 1.67 4.80 -0.27 4.03 3.52 -1.26 -1.62 118.95 129.82 3ghb s ARG 210 Ca 0.05 1.50 -0.06 0.00 -0.13 0.00 0.00 55.73 57.09 3ghb s ARG 210 Cb -0.13 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 29.96 3ghb s ARG 210 CO -0.09 0.42 0.04 0.08 -0.81 0.00 0.00 175.30 174.95 3ghb s VAL 211 N -0.87 3.81 -0.25 7.11 1.01 0.30 -4.94 120.40 126.58 3ghb s VAL 211 Ca 0.43 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 3ghb s VAL 211 Cb -0.26 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 3ghb s VAL 211 CO 0.32 0.19 0.05 -1.61 0.00 0.00 0.00 175.10 174.05 3ghb s GLU 212 N 1.50 3.55 0.15 2.72 2.02 -1.26 -4.44 118.70 122.93 3ghb s GLU 212 Ca 0.03 -0.54 0.03 0.00 0.02 0.00 0.00 54.97 54.51 3ghb s GLU 212 Cb -0.16 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 3ghb s GLU 212 CO 0.01 -0.22 0.22 -0.51 0.02 0.00 0.00 175.26 174.78 3ghb s LEU 213 N 1.58 4.13 0.15 1.80 1.43 -1.26 -4.98 118.68 121.54 3ghb s LEU 213 Ca 0.06 0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 52.92 3ghb s LEU 213 Cb -0.15 -2.72 -0.08 0.00 0.03 0.00 0.00 46.19 43.27 3ghb s LEU 213 CO 0.02 0.07 1.24 -0.54 0.23 0.00 0.00 176.35 177.37 3ghb s LYS 214 N -3.13 4.45 0.16 1.70 -0.14 -1.26 -4.93 119.74 116.59 3ghb s LYS 214 Ca 0.33 1.90 -0.30 0.00 -1.36 0.00 0.00 55.97 56.54 3ghb s LYS 214 Cb -0.11 -3.25 -0.08 0.00 -1.68 0.00 0.00 37.83 32.71 3ghb s LYS 214 CO 0.26 -0.18 1.19 0.99 -0.76 0.00 0.00 175.35 176.85 3ghb s THR 215 N 0.32 3.69 0.34 2.17 2.01 -1.26 -4.28 115.64 118.63 3ghb s THR 215 Ca 0.56 1.38 -0.26 0.00 0.31 0.00 0.00 61.69 63.68 3ghb s THR 215 Cb -0.33 -3.88 -0.13 0.00 0.01 0.00 0.00 72.50 68.17 3ghb s THR 215 CO 0.35 0.20 0.86 -2.65 -0.69 0.00 0.00 174.62 172.69 3ghb n PRO 216 N 2.74 1.05 0.00 4.92 -0.02 -1.24 -4.89 135.00 137.56 3ghb n PRO 216 Ca 0.05 0.37 0.08 0.00 -2.02 0.00 0.00 63.50 61.98 3ghb n PRO 216 Cb 0.45 -1.74 0.07 0.00 -0.02 0.00 0.00 33.50 32.26 3ghb n PRO 216 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89