#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 5.26 0.10 3.84 1.01 -1.26 -3.79 120.40 125.56 3ghb s VAL 2 Ca 0.00 0.67 -0.25 0.00 0.00 0.00 0.00 61.98 62.40 3ghb s VAL 2 Cb 0.00 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.77 3ghb s VAL 2 CO 0.00 0.38 0.69 0.00 0.00 0.00 0.00 175.10 176.17 3ghb s GLN 3 N 0.45 1.13 -0.06 2.72 -2.07 -0.18 -5.00 119.66 116.64 3ghb s GLN 3 Ca 0.19 -0.37 0.02 0.00 -1.82 0.00 0.00 55.36 53.39 3ghb s GLN 3 Cb -0.14 0.52 0.01 0.00 -1.09 0.00 0.00 33.01 32.32 3ghb s GLN 3 CO 0.06 -0.48 -0.11 -0.51 -1.32 0.00 0.00 175.29 172.93 3ghb s LEU 4 N -2.55 1.59 -0.13 2.60 1.43 -1.26 -1.88 118.68 118.48 3ghb s LEU 4 Ca 0.01 -0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 52.84 3ghb s LEU 4 Cb -0.01 -0.77 0.03 0.00 0.03 0.00 0.00 46.19 45.47 3ghb s LEU 4 CO -0.10 0.02 -0.09 -0.69 0.23 0.00 0.00 176.35 175.72 3ghb s VAL 5 N 0.71 1.18 0.24 -1.59 1.01 -0.35 -3.99 120.40 117.61 3ghb s VAL 5 Ca -0.14 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.46 3ghb s VAL 5 Cb -0.16 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 3ghb s VAL 5 CO 0.03 0.35 0.23 -1.83 0.00 0.00 0.00 175.10 173.88 3ghb s GLU 6 N 1.64 3.07 0.35 2.72 1.03 -1.26 -0.81 118.70 125.43 3ghb s GLU 6 Ca 0.04 -0.95 -0.15 0.00 0.03 0.00 0.00 54.97 53.94 3ghb s GLU 6 Cb -0.13 -2.66 0.03 0.00 -0.80 0.00 0.00 34.13 30.57 3ghb s GLU 6 CO -0.09 0.42 0.70 -1.54 -1.33 0.00 0.00 175.26 173.42 3ghb s SER 7 N -3.80 0.08 0.00 0.83 1.04 0.47 -4.70 113.70 107.62 3ghb s SER 7 Ca 0.33 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.70 3ghb s SER 7 Cb -0.08 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.81 3ghb s SER 7 CO 0.26 -1.51 0.00 0.61 0.98 0.00 0.00 173.24 173.57 3ghb n GLY 8 N -0.51 0.34 3.69 7.32 0.00 -1.26 -1.43 105.19 113.34 3ghb n GLY 8 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.89 1.65 0.00 -0.02 0.00 -1.26 -4.74 107.32 101.06 3ghb s GLY 9 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.95 3ghb s GLY 9 CO 0.00 0.68 0.00 0.61 0.00 0.00 0.00 173.10 174.39 3ghb n GLY 10 N -0.50 -1.33 3.78 0.20 0.00 -0.20 -4.90 105.19 102.23 3ghb n GLY 10 Ca 0.09 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 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 4.47 -0.11 0.99 2.96 -1.26 -0.87 118.68 124.85 3ghb s LEU 11 Ca 0.00 1.24 -0.08 0.00 -0.22 0.00 0.00 54.13 55.07 3ghb s LEU 11 Cb 0.00 -2.95 0.04 0.00 0.50 0.00 0.00 46.19 43.78 3ghb s LEU 11 CO 0.00 0.16 0.28 -0.69 -1.32 0.00 0.00 176.35 174.78 3ghb s VAL 12 N -0.54 -0.02 0.49 1.68 1.01 0.18 -4.96 120.40 118.25 3ghb s VAL 12 Ca 0.31 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 62.14 3ghb s VAL 12 Cb -0.19 -0.41 -0.07 0.00 0.00 0.00 0.00 36.38 35.72 3ghb s VAL 12 CO 0.19 0.03 1.14 -0.54 0.00 0.00 0.00 175.10 175.92 3ghb s LYS 13 N 0.69 3.61 0.45 2.72 -0.14 -1.25 -1.40 119.74 124.42 3ghb s LYS 13 Ca -0.04 1.69 -0.23 0.00 -1.36 0.00 0.00 55.97 56.02 3ghb s LYS 13 Cb -0.06 -2.24 -0.09 0.00 -1.68 0.00 0.00 37.83 33.76 3ghb s LYS 13 CO -0.04 -0.65 1.07 -2.30 -0.76 0.00 0.00 175.35 172.66 3ghb n PRO 14 N -0.81 1.42 -0.54 -1.68 -0.02 -1.26 -1.17 135.00 130.93 3ghb n PRO 14 Ca 0.09 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3ghb n PRO 14 Cb 0.49 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 1.10 1.67 0.85 -1.23 0.00 0.34 -4.92 105.19 103.01 3ghb n GLY 15 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.22 3.20 -0.02 0.00 -0.32 -4.09 105.19 101.74 3ghb n GLY 16 Ca 0.00 -1.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.98 1.26 -0.20 1.61 1.04 -1.26 -0.81 113.70 113.35 3ghb s SER 17 Ca 0.16 -1.05 -0.27 0.00 0.48 0.00 0.00 55.95 55.27 3ghb s SER 17 Cb -0.01 0.09 0.08 0.00 0.10 0.00 0.00 66.02 66.28 3ghb s SER 17 CO 0.11 -0.47 0.75 -0.22 0.98 0.00 0.00 173.24 174.38 3ghb s LEU 18 N -3.10 -0.68 -0.20 2.42 2.96 0.48 -5.00 118.68 115.57 3ghb s LEU 18 Ca 0.16 1.14 0.00 0.00 -0.22 0.00 0.00 54.13 55.21 3ghb s LEU 18 Cb 0.05 2.41 0.02 0.00 0.50 0.00 0.00 46.19 49.17 3ghb s LEU 18 CO -0.02 -0.35 -0.16 -0.60 -1.32 0.00 0.00 176.35 173.91 3ghb s ARG 19 N -0.15 2.97 0.14 1.98 3.52 -1.26 -0.04 118.95 126.10 3ghb s ARG 19 Ca -0.03 -0.86 -0.05 0.00 -0.13 0.00 0.00 55.73 54.66 3ghb s ARG 19 Cb -0.03 -2.69 -0.06 0.00 -1.56 0.00 0.00 34.95 30.61 3ghb s ARG 19 CO 0.03 -0.25 0.38 -0.51 -0.81 0.00 0.00 175.30 174.13 3ghb s LEU 20 N 1.30 4.27 0.04 -0.88 1.43 -0.24 -4.71 118.68 119.90 3ghb s LEU 20 Ca 0.04 0.60 0.07 0.00 -1.03 0.00 0.00 54.13 53.81 3ghb s LEU 20 Cb -0.14 -3.28 -0.02 0.00 0.03 0.00 0.00 46.19 42.78 3ghb s LEU 20 CO -0.10 0.06 -0.19 0.42 0.23 0.00 0.00 176.35 176.77 3ghb s THR 21 N -1.64 1.54 -0.17 5.49 -4.23 -0.52 -1.92 115.64 114.20 3ghb s THR 21 Ca 0.40 -1.16 -0.03 0.00 -1.18 0.00 0.00 61.69 59.72 3ghb s THR 21 Cb -0.12 -1.35 0.06 0.00 1.34 0.00 0.00 72.50 72.42 3ghb s THR 21 CO 0.24 0.15 0.05 0.00 -0.54 0.00 0.00 174.62 174.52 3ghb s VAL 23 N 1.97 5.33 0.27 0.00 1.01 0.01 -0.56 120.40 128.43 3ghb s VAL 23 Ca 0.01 0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.51 3ghb s VAL 23 Cb -0.16 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3ghb s VAL 23 CO -0.08 0.44 0.23 0.00 0.00 0.00 0.00 175.10 175.69 3ghb s ALA 24 N 0.16 3.67 -0.23 5.51 0.00 -0.29 -1.22 121.76 129.36 3ghb s ALA 24 Ca 0.15 -1.46 -0.27 0.00 0.00 0.00 0.00 51.96 50.38 3ghb s ALA 24 Cb -0.13 -1.30 0.13 0.00 0.00 0.00 0.00 23.12 21.82 3ghb s ALA 24 CO 0.03 0.19 1.04 -1.54 0.00 0.00 0.00 175.76 175.49 3ghb s SER 25 N -3.89 -0.39 0.00 0.00 1.04 -0.79 -4.87 113.70 104.81 3ghb s SER 25 Ca 0.35 0.63 0.00 0.00 0.48 0.00 0.00 55.95 57.41 3ghb s SER 25 Cb -0.07 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3ghb s SER 25 CO 0.26 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.87 3ghb n GLY 26 N 1.55 0.53 3.66 7.32 0.00 -1.25 -1.01 105.19 116.00 3ghb n GLY 26 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 0.46 -0.81 1.61 -0.71 -1.26 -4.58 117.98 110.68 3ghb s PHE 27 Ca 0.00 -0.90 -0.25 0.00 -1.04 0.00 0.00 56.93 54.74 3ghb s PHE 27 Cb 0.00 0.39 0.04 0.00 -1.21 0.00 0.00 43.02 42.24 3ghb s PHE 27 CO 0.00 -1.28 1.30 0.99 -1.34 0.00 0.00 175.22 174.88 3ghb s THR 28 N -3.04 3.85 0.15 -4.49 2.01 -1.26 -4.89 115.64 107.96 3ghb s THR 28 Ca 0.21 -0.03 -0.22 0.00 0.31 0.00 0.00 61.69 61.96 3ghb s THR 28 Cb -0.03 -4.93 0.02 0.00 0.01 0.00 0.00 72.50 67.57 3ghb s THR 28 CO 0.14 -1.84 1.63 0.15 -0.69 0.00 0.00 174.62 174.01 3ghb h PHE 29 N 9.90 -0.61 -0.47 4.92 3.57 -1.97 -2.88 116.94 129.40 3ghb h PHE 29 Ca -0.14 0.04 0.14 0.00 3.53 0.00 0.00 57.97 61.53 3ghb h PHE 29 Cb 1.04 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 40.06 3ghb h PHE 29 CO 1.16 -0.31 0.37 0.66 -2.23 0.00 0.00 178.31 177.97 3ghb h SER 30 N -0.24 0.00 0.52 0.41 4.64 -1.90 -2.59 113.55 114.39 3ghb h SER 30 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3ghb h SER 30 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3ghb h SER 30 CO -0.37 0.00 -0.06 0.47 -0.87 0.00 0.00 176.83 176.00 3ghb n ASP 31 N -4.17 0.19 -4.57 4.97 8.00 -1.09 -4.23 116.55 115.65 3ghb n ASP 31 Ca 0.08 -0.25 -0.26 0.00 0.71 0.00 0.00 54.79 55.07 3ghb n ASP 31 Cb 0.58 -0.20 -0.09 0.00 -0.02 0.00 0.00 41.12 41.39 3ghb n ASP 31 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3ghb s VAL 32 N -2.59 3.16 0.29 2.53 -7.23 -0.98 -4.90 120.40 110.68 3ghb s VAL 32 Ca 0.27 -1.79 -0.20 0.00 -1.81 0.00 0.00 61.98 58.44 3ghb s VAL 32 Cb 0.20 -2.60 -0.09 0.00 0.56 0.00 0.00 36.38 34.45 3ghb s VAL 32 CO 0.48 -0.20 0.80 0.26 -0.31 0.00 0.00 175.10 176.13 3ghb s TRP 33 N -1.91 3.56 0.01 2.82 0.52 -1.26 -4.21 118.94 118.47 3ghb s TRP 33 Ca 0.27 1.45 0.06 0.00 0.02 0.00 0.00 56.10 57.90 3ghb s TRP 33 Cb -0.08 -2.69 -0.02 0.00 -1.15 0.00 0.00 33.47 29.54 3ghb s TRP 33 CO 0.16 0.21 -0.19 -0.51 0.02 0.00 0.00 176.95 176.64 3ghb s LEU 34 N -2.34 2.10 0.28 2.99 1.43 -1.08 -1.15 118.68 120.90 3ghb s LEU 34 Ca 0.49 -0.41 0.09 0.00 -1.03 0.00 0.00 54.13 53.27 3ghb s LEU 34 Cb -0.15 -0.92 -0.05 0.00 0.03 0.00 0.00 46.19 45.10 3ghb s LEU 34 CO 0.20 0.18 -0.14 0.20 0.23 0.00 0.00 176.35 177.02 3ghb s ASN 35 N -0.77 3.24 -0.11 2.29 0.01 0.08 -1.09 114.94 118.58 3ghb s ASN 35 Ca 0.07 -1.10 0.01 0.00 -0.71 0.00 0.00 52.86 51.13 3ghb s ASN 35 Cb -0.08 -0.25 0.02 0.00 0.41 0.00 0.00 41.25 41.35 3ghb s ASN 35 CO 0.00 -0.13 -0.14 0.26 -1.51 0.00 0.00 177.10 175.58 3ghb s TRP 36 N -2.73 1.92 0.29 2.20 0.52 -0.62 -1.83 118.94 118.69 3ghb s TRP 36 Ca 0.29 -0.94 0.08 0.00 0.02 0.00 0.00 56.10 55.55 3ghb s TRP 36 Cb -0.01 -1.41 -0.06 0.00 -1.15 0.00 0.00 33.47 30.84 3ghb s TRP 36 CO 0.13 -0.51 -0.10 0.14 0.02 0.00 0.00 176.95 176.63 3ghb s VAL 37 N 1.16 1.95 0.02 4.03 -7.23 0.13 0.11 120.40 120.56 3ghb s VAL 37 Ca -0.03 -2.20 -0.13 0.00 -1.81 0.00 0.00 61.98 57.81 3ghb s VAL 37 Cb -0.14 -2.45 0.02 0.00 0.56 0.00 0.00 36.38 34.37 3ghb s VAL 37 CO -0.04 -0.31 0.27 0.00 -0.31 0.00 0.00 175.10 174.70 3ghb s ARG 38 N -3.65 0.70 -0.07 4.82 1.70 0.28 -1.10 118.95 121.62 3ghb s ARG 38 Ca 0.30 -0.40 -0.03 0.00 -0.47 0.00 0.00 55.73 55.12 3ghb s ARG 38 Cb 0.02 0.30 0.04 0.00 -0.57 0.00 0.00 34.95 34.74 3ghb s ARG 38 CO 0.13 -0.20 0.15 -1.14 -1.08 0.00 0.00 175.30 173.15 3ghb s GLN 39 N -1.98 0.06 0.20 3.89 0.74 -0.64 -0.72 119.66 121.21 3ghb s GLN 39 Ca -0.09 0.46 -0.16 0.00 0.05 0.00 0.00 55.36 55.61 3ghb s GLN 39 Cb -0.03 -0.23 -0.08 0.00 1.10 0.00 0.00 33.01 33.77 3ghb s GLN 39 CO -0.00 -0.24 0.64 0.00 -0.55 0.00 0.00 175.29 175.14 3ghb s ALA 40 N 1.73 3.48 -0.09 1.58 0.00 -1.26 -1.60 121.76 125.60 3ghb s ALA 40 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 51.96 51.60 3ghb s ALA 40 Cb -0.12 -2.67 -0.11 0.00 0.00 0.00 0.00 23.12 20.22 3ghb s ALA 40 CO -0.06 0.39 1.90 -2.30 0.00 0.00 0.00 175.76 175.70 3ghb n PRO 41 N 0.59 2.20 -0.54 0.00 -0.02 -1.26 -0.30 135.00 135.65 3ghb n PRO 41 Ca -0.03 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3ghb n PRO 41 Cb 0.52 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 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 4.49 0.80 3.68 -1.23 0.00 -1.26 -5.04 105.19 106.63 3ghb n GLY 42 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 3ghb n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ghb s LYS 43 N -0.44 2.09 0.51 1.61 2.36 0.58 -5.15 119.74 121.30 3ghb s LYS 43 Ca 0.00 -2.01 -0.01 0.00 -2.55 0.00 0.00 55.97 51.40 3ghb s LYS 43 Cb 0.00 -1.79 0.01 0.00 -1.05 0.00 0.00 37.83 35.00 3ghb s LYS 43 CO 0.00 -0.10 0.75 0.20 1.55 0.00 0.00 175.35 177.75 3ghb s GLY 44 N -3.81 1.63 0.48 5.54 0.00 -1.26 -4.49 107.32 105.41 3ghb s GLY 44 Ca 0.36 -1.03 -0.24 0.00 0.00 0.00 0.00 44.72 43.82 3ghb s GLY 44 CO 0.19 -0.81 1.29 1.04 0.00 0.00 0.00 173.10 174.82 3ghb n LEU 45 N -2.26 4.60 -3.93 0.66 4.77 -1.26 -4.52 117.00 115.06 3ghb n LEU 45 Ca 0.03 1.04 -0.18 0.00 -0.03 0.00 0.00 56.01 56.88 3ghb n LEU 45 Cb 0.58 -1.53 -0.15 0.00 -2.33 0.00 0.00 43.42 39.99 3ghb n LEU 45 CO 0.48 -0.67 -0.40 -0.70 -1.33 0.00 0.00 177.39 174.77 3ghb s GLU 46 N -2.49 0.58 0.08 3.23 2.12 0.11 -4.98 118.70 117.34 3ghb s GLU 46 Ca 0.65 -0.15 -0.28 0.00 0.36 0.00 0.00 54.97 55.56 3ghb s GLU 46 Cb -0.46 -0.59 -0.06 0.00 0.26 0.00 0.00 34.13 33.28 3ghb s GLU 46 CO 0.54 0.03 0.89 -0.46 -0.54 0.00 0.00 175.26 175.73 3ghb s TRP 47 N 0.33 3.78 -0.23 5.30 -0.00 -1.26 -0.56 118.94 126.30 3ghb s TRP 47 Ca -0.04 1.68 -0.00 0.00 -0.00 0.00 0.00 56.10 57.74 3ghb s TRP 47 Cb -0.08 -2.97 -0.14 0.00 -0.00 0.00 0.00 33.47 30.27 3ghb s TRP 47 CO -0.00 0.22 -0.22 0.28 -0.00 0.00 0.00 176.95 177.23 3ghb n VAL 48 N 2.83 1.32 -1.48 5.86 0.31 0.12 -4.60 118.33 122.69 3ghb n VAL 48 Ca 0.01 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 3ghb n VAL 48 Cb 0.50 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 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 2.27 -1.41 3.39 2.92 0.00 -1.07 -1.40 105.19 109.89 3ghb n GLY 49 Ca -0.42 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.30 1.19 -0.21 1.61 1.70 -0.54 -1.59 118.95 119.81 3ghb s ARG 50 Ca 0.00 -0.82 -0.05 0.00 -0.47 0.00 0.00 55.73 54.39 3ghb s ARG 50 Cb 0.00 0.48 0.07 0.00 -0.57 0.00 0.00 34.95 34.93 3ghb s ARG 50 CO 0.00 -0.48 0.10 -1.50 -1.08 0.00 0.00 175.30 172.34 3ghb s ILE 51 N -3.85 -0.07 1.07 4.99 2.07 -0.25 -1.91 121.20 123.25 3ghb s ILE 51 Ca 0.07 -0.38 -0.12 0.00 -1.41 0.00 0.00 60.65 58.80 3ghb s ILE 51 Cb 0.01 -0.73 0.21 0.00 0.13 0.00 0.00 42.46 42.08 3ghb s ILE 51 CO -0.07 -0.44 0.94 0.29 -1.91 0.00 0.00 174.94 173.75 3ghb n LYS 52 N 5.26 -1.54 -1.56 3.50 5.02 -0.20 -2.65 118.16 125.99 3ghb n LYS 52 Ca -0.07 -0.41 -0.30 0.00 -2.02 0.00 0.00 58.31 55.52 3ghb n LYS 52 Cb 0.46 -2.18 0.09 0.00 -0.02 0.00 0.00 35.03 33.38 3ghb n LYS 52 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ghb s SER 52 N -2.41 4.61 0.23 4.39 1.04 -1.26 -3.96 113.70 116.34 3ghb s SER 52 Ca 0.66 1.34 -0.07 0.00 0.48 0.00 0.00 55.95 58.37 3ghb s SER 52 Cb -0.23 -2.10 0.29 0.00 0.10 0.00 0.00 66.02 64.08 3ghb s SER 52 CO 0.63 -1.90 1.85 -0.09 0.98 0.00 0.00 173.24 174.71 3ghb h ARG 52 N -1.04 0.93 -0.44 4.02 2.43 -1.88 0.16 114.38 118.54 3ghb h ARG 52 Ca -0.47 -0.06 0.13 0.00 -0.81 0.00 0.00 59.98 58.78 3ghb h ARG 52 Cb 1.26 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 3ghb h ARG 52 CO 0.59 0.61 0.32 1.15 -1.51 0.00 0.00 179.97 181.14 3ghb h THR 52 N 0.95 0.76 -0.52 0.20 2.02 -1.92 -0.65 112.91 113.76 3ghb h THR 52 Ca 0.35 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.40 3ghb h THR 52 Cb 0.11 0.77 -0.08 0.00 -1.74 0.00 0.00 68.15 67.22 3ghb h THR 52 CO -0.15 0.00 0.11 0.47 0.37 0.00 0.00 175.52 176.32 3ghb n ASP 53 N -4.38 4.24 0.00 4.18 8.00 -0.39 -4.95 116.55 123.26 3ghb n ASP 53 Ca 0.08 -3.23 0.00 0.00 0.71 0.00 0.00 54.79 52.35 3ghb n ASP 53 Cb 0.53 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 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 -0.37 3.09 1.89 0.44 0.00 -0.25 -4.58 105.19 105.41 3ghb n GLY 54 Ca 0.33 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 0.41 3.84 -0.02 0.00 -0.10 -4.83 105.19 104.49 3ghb n GLY 55 Ca 0.00 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.00 3.29 0.13 2.61 -4.23 -1.26 -4.61 115.64 109.57 3ghb s THR 56 Ca 0.00 0.42 0.10 0.00 -1.18 0.00 0.00 61.69 61.03 3ghb s THR 56 Cb 0.00 -3.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.53 3ghb s THR 56 CO 0.00 -0.55 -0.24 0.42 -0.54 0.00 0.00 174.62 173.72 3ghb s THR 57 N -3.24 2.04 0.00 3.99 -4.23 -1.26 -1.04 115.64 111.90 3ghb s THR 57 Ca 0.59 -1.74 0.04 0.00 -1.18 0.00 0.00 61.69 59.40 3ghb s THR 57 Cb -0.13 -1.85 -0.01 0.00 1.34 0.00 0.00 72.50 71.85 3ghb s THR 57 CO 0.53 -0.03 -0.12 -1.81 -0.54 0.00 0.00 174.62 172.64 3ghb s ASP 58 N -2.16 1.44 0.19 3.99 1.01 -0.80 -4.98 116.67 115.37 3ghb s ASP 58 Ca 0.13 -0.28 0.08 0.00 0.71 0.00 0.00 52.55 53.18 3ghb s ASP 58 Cb -0.09 -0.14 -0.05 0.00 1.01 0.00 0.00 42.92 43.66 3ghb s ASP 58 CO 0.06 0.11 -0.15 -0.31 0.21 0.00 0.00 175.17 175.09 3ghb s TYR 59 N -0.45 1.73 0.19 4.23 2.02 -1.26 -1.46 117.35 122.34 3ghb s TYR 59 Ca 0.03 -0.54 -0.26 0.00 -0.37 0.00 0.00 57.07 55.93 3ghb s TYR 59 Cb -0.06 -0.82 -0.08 0.00 -0.40 0.00 0.00 41.96 40.61 3ghb s TYR 59 CO 0.00 0.35 0.81 0.00 -1.57 0.00 0.00 175.55 175.14 3ghb s ALA 60 N -2.72 3.42 0.31 3.71 0.00 -0.50 -4.90 121.76 121.08 3ghb s ALA 60 Ca 0.20 0.41 0.06 0.00 0.00 0.00 0.00 51.96 52.63 3ghb s ALA 60 Cb -0.02 -3.00 0.84 0.00 0.00 0.00 0.00 23.12 20.94 3ghb s ALA 60 CO 0.07 0.28 1.65 0.00 0.00 0.00 0.00 175.76 177.75 3ghb h ALA 61 N 4.20 1.51 0.00 0.00 0.00 -1.93 0.49 119.26 123.53 3ghb h ALA 61 Ca -0.47 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ghb h ALA 61 Cb 1.20 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3ghb h ALA 61 CO 0.66 -0.50 0.05 0.66 0.00 0.00 0.00 179.25 180.11 3ghb h SER 62 N 0.25 0.00 0.00 0.00 4.64 -1.95 -3.04 113.55 113.44 3ghb h SER 62 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 3ghb h SER 62 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3ghb h SER 62 CO -0.65 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 176.64 3ghb n VAL 63 N -2.65 0.22 -1.76 0.95 0.24 0.12 -5.04 118.33 110.41 3ghb n VAL 63 Ca -0.02 -0.38 -0.41 0.00 -2.04 0.00 0.00 64.34 61.48 3ghb n VAL 63 Cb 0.10 1.16 -0.01 0.00 -1.47 0.00 0.00 33.84 33.61 3ghb n VAL 63 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3ghb s LYS 64 N -0.22 4.11 0.00 7.34 2.20 -0.92 -2.05 119.74 130.20 3ghb s LYS 64 Ca 0.00 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 3ghb s LYS 64 Cb 0.00 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 3ghb s LYS 64 CO 0.00 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.75 3ghb n GLY 65 N 2.15 3.01 0.10 5.54 0.00 -1.26 -4.78 105.19 109.96 3ghb n GLY 65 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.67 0.67 -3.79 1.61 1.74 -0.93 -4.99 116.66 110.32 3ghb n ARG 66 Ca 0.00 0.10 -0.37 0.00 -0.77 0.00 0.00 57.85 56.81 3ghb n ARG 66 Cb 0.00 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 29.94 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 -2.43 3.59 -0.17 -1.55 0.40 -0.87 -1.83 117.98 115.12 3ghb s PHE 67 Ca -0.25 0.59 -0.00 0.00 -0.60 0.00 0.00 56.93 56.66 3ghb s PHE 67 Cb 0.07 -2.04 0.04 0.00 0.51 0.00 0.00 43.02 41.60 3ghb s PHE 67 CO 0.54 0.65 -0.07 0.99 0.70 0.00 0.00 175.22 178.03 3ghb s THR 68 N -0.81 1.27 -0.10 0.64 2.01 0.37 -4.89 115.64 114.12 3ghb s THR 68 Ca 0.16 -0.72 -0.13 0.00 0.31 0.00 0.00 61.69 61.31 3ghb s THR 68 Cb -0.13 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.93 3ghb s THR 68 CO 0.05 0.16 0.30 -0.63 -0.69 0.00 0.00 174.62 173.81 3ghb s ILE 69 N 1.56 5.26 0.22 1.82 1.01 -1.26 -0.87 121.20 128.94 3ghb s ILE 69 Ca 0.01 0.57 -0.08 0.00 0.00 0.00 0.00 60.65 61.15 3ghb s ILE 69 Cb -0.15 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 3ghb s ILE 69 CO -0.08 0.49 0.33 -0.94 0.00 0.00 0.00 174.94 174.75 3ghb s SER 70 N -0.30 0.01 0.03 3.58 1.04 -1.09 -4.96 113.70 112.01 3ghb s SER 70 Ca 0.19 -1.10 -0.08 0.00 0.48 0.00 0.00 55.95 55.44 3ghb s SER 70 Cb -0.14 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3ghb s SER 70 CO 0.07 -1.01 0.16 0.00 0.98 0.00 0.00 173.24 173.44 3ghb s ARG 71 N -4.07 0.63 -0.36 4.02 1.70 -1.26 -0.43 118.95 119.18 3ghb s ARG 71 Ca 0.28 -0.61 0.00 0.00 -0.47 0.00 0.00 55.73 54.93 3ghb s ARG 71 Cb 0.02 0.26 0.12 0.00 -0.57 0.00 0.00 34.95 34.78 3ghb s ARG 71 CO 0.09 -0.17 0.17 0.34 -1.08 0.00 0.00 175.30 174.65 3ghb s ASP 72 N -1.97 3.73 0.47 -2.89 -1.08 -0.20 -5.00 116.67 109.73 3ghb s ASP 72 Ca -0.07 -2.07 0.14 0.00 -0.52 0.00 0.00 52.55 50.03 3ghb s ASP 72 Cb -0.02 -0.85 1.07 0.00 -1.46 0.00 0.00 42.92 41.66 3ghb s ASP 72 CO -0.03 -0.35 2.05 0.44 0.52 0.00 0.00 175.17 177.80 3ghb h ASP 73 N 7.44 0.06 0.05 -0.34 3.32 -1.96 -2.13 116.42 122.86 3ghb h ASP 73 Ca -0.06 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3ghb h ASP 73 Cb 0.98 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 3ghb h ASP 73 CO 0.45 0.14 -0.01 0.77 -1.72 0.00 0.00 179.24 178.87 3ghb h SER 74 N 0.06 0.00 -0.26 6.45 4.64 -1.95 -2.58 113.55 119.91 3ghb h SER 74 Ca 0.01 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.11 3ghb h SER 74 Cb 0.17 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.97 3ghb h SER 74 CO 0.01 0.01 -0.86 2.29 -0.87 0.00 0.00 176.83 177.41 3ghb n LYS 75 N -3.36 1.62 -3.44 4.77 2.85 -0.84 -5.00 118.16 114.77 3ghb n LYS 75 Ca -0.03 -3.18 -0.24 0.00 -1.05 0.00 0.00 58.31 53.81 3ghb n LYS 75 Cb 0.09 -1.31 -0.05 0.00 -0.65 0.00 0.00 35.03 33.11 3ghb n LYS 75 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3ghb n ASN 76 N -0.46 -0.66 -4.38 -5.58 4.13 -0.98 -4.84 115.26 102.49 3ghb n ASN 76 Ca 0.18 -0.77 -0.31 0.00 1.68 0.00 0.00 54.58 55.36 3ghb n ASN 76 Cb 0.91 -0.98 -0.14 0.00 -1.54 0.00 0.00 39.78 38.02 3ghb n ASN 76 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3ghb s THR 77 N -2.78 2.43 -0.05 3.41 2.01 -0.98 -1.14 115.64 118.54 3ghb s THR 77 Ca 0.38 -1.12 0.04 0.00 0.31 0.00 0.00 61.69 61.30 3ghb s THR 77 Cb -0.22 -1.93 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 3ghb s THR 77 CO 0.63 0.48 -0.17 -0.22 -0.69 0.00 0.00 174.62 174.64 3ghb s LEU 78 N -0.97 2.56 0.24 4.42 2.96 0.28 -1.03 118.68 127.15 3ghb s LEU 78 Ca 0.12 -0.28 0.11 0.00 -0.22 0.00 0.00 54.13 53.85 3ghb s LEU 78 Cb -0.10 -1.51 -0.05 0.00 0.50 0.00 0.00 46.19 45.03 3ghb s LEU 78 CO 0.01 0.32 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.86 3ghb s TYR 79 N -0.56 2.14 -0.28 5.38 2.02 0.42 -0.76 117.35 125.71 3ghb s TYR 79 Ca 0.08 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.37 3ghb s TYR 79 Cb -0.11 -0.96 0.12 0.00 -0.40 0.00 0.00 41.96 40.60 3ghb s TYR 79 CO 0.01 0.59 0.25 -1.17 -1.57 0.00 0.00 175.55 173.65 3ghb s LEU 80 N -3.29 -0.04 -0.24 -1.29 2.96 -0.81 -2.65 118.68 113.31 3ghb s LEU 80 Ca 0.26 -0.79 -0.20 0.00 -0.22 0.00 0.00 54.13 53.18 3ghb s LEU 80 Cb -0.05 0.29 -0.02 0.00 0.50 0.00 0.00 46.19 46.91 3ghb s LEU 80 CO 0.12 -0.39 0.59 -1.58 -1.32 0.00 0.00 176.35 173.77 3ghb s GLN 81 N 2.30 4.12 -0.21 1.98 2.00 -0.05 -1.08 119.66 128.71 3ghb s GLN 81 Ca 0.09 0.49 -0.03 0.00 -2.00 0.00 0.00 55.36 53.91 3ghb s GLN 81 Cb -0.15 -3.63 -0.00 0.00 0.80 0.00 0.00 33.01 30.03 3ghb s GLN 81 CO -0.31 -0.35 -0.07 -1.64 -0.50 0.00 0.00 175.29 172.43 3ghb s MET 82 N 2.29 3.32 0.30 1.67 -1.94 0.94 -0.48 119.30 125.40 3ghb s MET 82 Ca 0.25 -0.66 0.11 0.00 -1.71 0.00 0.00 55.69 53.68 3ghb s MET 82 Cb -0.16 -2.93 -0.05 0.00 2.01 0.00 0.00 34.83 33.71 3ghb s MET 82 CO 0.09 -0.18 -0.13 -0.80 -0.01 0.00 0.00 175.02 173.99 3ghb s ASN 82 N 1.39 3.79 -1.39 3.03 0.01 -0.76 -0.39 114.94 120.61 3ghb s ASN 82 Ca 0.05 -1.03 -0.02 0.00 -0.71 0.00 0.00 52.86 51.15 3ghb s ASN 82 Cb -0.14 -0.39 0.01 0.00 0.41 0.00 0.00 41.25 41.14 3ghb s ASN 82 CO -0.04 -0.05 0.57 -1.20 -1.51 0.00 0.00 177.10 174.87 3ghb n SER 82 N -0.73 -1.01 -4.77 -1.22 7.64 -0.96 -4.66 113.62 107.90 3ghb n SER 82 Ca -0.05 -0.92 -0.41 0.00 1.01 0.00 0.00 58.87 58.50 3ghb n SER 82 Cb 0.61 -3.48 -0.00 0.00 -1.01 0.00 0.00 64.21 60.33 3ghb n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ghb s LEU 82 N -6.89 4.31 0.21 -3.43 1.43 0.01 -4.63 118.68 109.70 3ghb s LEU 82 Ca 0.07 2.93 0.10 0.00 -1.03 0.00 0.00 54.13 56.20 3ghb s LEU 82 Cb -0.04 -3.71 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 3ghb s LEU 82 CO 0.86 -0.83 -0.14 -0.54 0.23 0.00 0.00 176.35 175.93 3ghb s LYS 83 N -2.08 1.88 0.43 1.70 1.02 -1.26 0.13 119.74 121.56 3ghb s LYS 83 Ca 0.53 -1.44 0.12 0.00 0.02 0.00 0.00 55.97 55.20 3ghb s LYS 83 Cb -0.44 -2.01 1.00 0.00 -0.52 0.00 0.00 37.83 35.86 3ghb s LYS 83 CO 0.59 0.40 2.01 1.79 -0.92 0.00 0.00 175.35 179.22 3ghb h THR 84 N 2.67 0.96 0.00 2.17 1.35 -1.96 0.13 112.91 118.23 3ghb h THR 84 Ca -0.45 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 3ghb h THR 84 Cb 1.22 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 3ghb h THR 84 CO 0.54 0.08 0.00 -1.84 -0.25 0.00 0.00 175.52 174.05 3ghb n GLU 85 N -4.47 0.70 0.00 4.72 0.00 -1.26 -1.53 120.64 118.79 3ghb n GLU 85 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.37 3ghb n GLU 85 Cb 0.28 -1.43 0.46 0.00 0.00 0.00 0.00 31.44 30.75 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 -0.93 1.42 -4.70 -1.84 8.00 0.46 -4.89 116.55 114.07 3ghb n ASP 86 Ca 0.14 -1.34 -0.42 0.00 0.71 0.00 0.00 54.79 53.88 3ghb n ASP 86 Cb 0.07 0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 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 -2.15 3.01 -1.87 -3.53 2.01 -0.58 -4.86 115.64 107.67 3ghb s THR 87 Ca 0.34 0.61 0.00 0.00 0.31 0.00 0.00 61.69 62.95 3ghb s THR 87 Cb 0.20 -3.39 0.00 0.00 0.01 0.00 0.00 72.50 69.32 3ghb s THR 87 CO 0.39 0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.34 3ghb n ALA 88 N 4.76 0.00 -2.63 7.40 0.00 -0.27 -4.51 120.51 125.26 3ghb n ALA 88 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.20 3ghb n ALA 88 Cb 0.40 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.04 5.20 -0.22 0.00 1.01 -0.63 -0.57 120.40 123.15 3ghb s VAL 89 Ca 0.00 0.57 -0.10 0.00 0.00 0.00 0.00 61.98 62.45 3ghb s VAL 89 Cb 0.00 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 3ghb s VAL 89 CO 0.00 0.20 0.15 -0.31 0.00 0.00 0.00 175.10 175.14 3ghb s TYR 90 N 1.76 3.35 0.07 5.22 1.51 0.11 -1.62 117.35 127.75 3ghb s TYR 90 Ca 0.15 0.26 0.07 0.00 -1.01 0.00 0.00 57.07 56.55 3ghb s TYR 90 Cb -0.15 -2.22 -0.03 0.00 -0.11 0.00 0.00 41.96 39.45 3ghb s TYR 90 CO 0.09 0.16 -0.20 -1.12 -1.11 0.00 0.00 175.55 173.37 3ghb s SER 91 N 0.76 2.41 0.04 2.29 0.01 -0.26 -0.58 113.70 118.37 3ghb s SER 91 Ca 0.08 -0.60 0.02 0.00 1.31 0.00 0.00 55.95 56.76 3ghb s SER 91 Cb -0.12 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 3ghb s SER 91 CO 0.02 0.09 0.07 0.00 0.41 0.00 0.00 173.24 173.83 3ghb s THR 93 N -1.29 0.14 0.14 0.00 -4.23 -0.76 -1.58 115.64 108.05 3ghb s THR 93 Ca 0.26 -1.70 0.08 0.00 -1.18 0.00 0.00 61.69 59.15 3ghb s THR 93 Cb -0.12 -1.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 3ghb s THR 93 CO 0.18 -0.65 -0.09 0.42 -0.54 0.00 0.00 174.62 173.94 3ghb s THR 94 N -3.97 3.36 -0.29 3.99 -4.23 -0.91 -0.74 115.64 112.86 3ghb s THR 94 Ca 0.15 -1.40 -0.22 0.00 -1.18 0.00 0.00 61.69 59.03 3ghb s THR 94 Cb 0.07 -2.61 -0.01 0.00 1.34 0.00 0.00 72.50 71.29 3ghb s THR 94 CO -0.04 0.02 0.73 -1.81 -0.54 0.00 0.00 174.62 172.98 3ghb s ASP 95 N -2.48 6.64 0.32 3.99 1.01 -0.30 -0.70 116.67 125.15 3ghb s ASP 95 Ca 0.23 0.69 0.04 0.00 0.71 0.00 0.00 52.55 54.22 3ghb s ASP 95 Cb -0.10 -2.38 0.04 0.00 1.01 0.00 0.00 42.92 41.48 3ghb s ASP 95 CO 0.15 -0.53 0.30 0.61 0.21 0.00 0.00 175.17 175.91 3ghb n GLY 96 N 4.16 2.63 3.45 0.21 0.00 0.33 -4.48 105.19 111.49 3ghb n GLY 96 Ca 0.02 -2.23 -0.15 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.45 -0.54 -0.23 1.61 -0.12 -1.26 -1.21 117.98 114.78 3ghb s PHE 97 Ca 0.23 0.73 0.00 0.00 -0.05 0.00 0.00 56.93 57.84 3ghb s PHE 97 Cb -0.02 0.41 0.03 0.00 -0.63 0.00 0.00 43.02 42.81 3ghb s PHE 97 CO 0.14 -0.66 -0.12 0.42 -0.05 0.00 0.00 175.22 174.95 3ghb s ILE 98 N -2.10 2.42 -0.14 -4.49 -1.09 -1.26 -5.02 121.20 109.52 3ghb s ILE 98 Ca -0.07 -1.16 -0.14 0.00 -2.23 0.00 0.00 60.65 57.05 3ghb s ILE 98 Cb -0.01 -2.22 -0.05 0.00 -1.58 0.00 0.00 42.46 38.61 3ghb s ILE 98 CO 0.01 0.25 0.31 -0.32 -1.23 0.00 0.00 174.94 173.96 3ghb s MET 99 N 1.25 4.20 -0.27 2.79 -2.45 -1.26 -5.06 119.30 118.50 3ghb s MET 99 Ca -0.01 0.13 -0.00 0.00 -1.25 0.00 0.00 55.69 54.56 3ghb s MET 99 Cb -0.16 -3.40 0.05 0.00 1.25 0.00 0.00 34.83 32.56 3ghb s MET 99 CO -0.07 0.29 -0.06 0.42 1.05 0.00 0.00 175.02 176.65 3ghb s ILE 100 N 0.30 2.66 -0.34 10.11 -1.09 -1.26 -5.07 121.20 126.51 3ghb s ILE 100 Ca 0.18 -1.38 -0.29 0.00 -2.23 0.00 0.00 60.65 56.92 3ghb s ILE 100 Cb -0.13 -2.49 -0.01 0.00 -1.58 0.00 0.00 42.46 38.25 3ghb s ILE 100 CO 0.05 0.00 1.54 -0.60 -1.23 0.00 0.00 174.94 174.70 3ghb s ARG 100 N 1.22 3.60 0.00 2.79 3.52 -1.26 -4.62 118.95 124.20 3ghb s ARG 100 Ca -0.05 1.24 0.00 0.00 -0.13 0.00 0.00 55.73 56.79 3ghb s ARG 100 Cb -0.19 -4.05 0.00 0.00 -1.56 0.00 0.00 34.95 29.15 3ghb s ARG 100 CO -0.03 -1.53 0.00 0.41 -0.81 0.00 0.00 175.30 173.33 3ghb n GLY 100 N 4.99 0.27 0.11 8.12 0.00 -0.13 -5.01 105.19 113.55 3ghb n GLY 100 Ca 0.18 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 3ghb n GLY 100 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ghb h VAL 100 N -0.39 1.04 0.00 1.61 2.07 -2.02 -3.40 116.25 115.15 3ghb h VAL 100 Ca 0.00 -1.19 -0.32 0.00 0.82 0.00 0.00 66.70 66.01 3ghb h VAL 100 Cb 0.00 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 3ghb h VAL 100 CO 0.00 0.26 -2.20 -1.20 0.02 0.00 0.00 177.57 174.45 3ghb n SER 100 N -4.90 1.67 -4.38 0.57 7.64 -1.26 -5.04 113.62 107.93 3ghb n SER 100 Ca -0.08 -0.07 -0.19 0.00 1.01 0.00 0.00 58.87 59.54 3ghb n SER 100 Cb 0.28 0.21 -0.10 0.00 -1.01 0.00 0.00 64.21 63.59 3ghb n SER 100 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3ghb s GLU 100 N -2.42 1.43 0.00 1.43 0.41 -1.26 -5.23 118.70 113.06 3ghb s GLU 100 Ca -0.20 -1.70 0.00 0.00 -0.41 0.00 0.00 54.97 52.66 3ghb s GLU 100 Cb 0.06 -1.03 0.00 0.00 -1.78 0.00 0.00 34.13 31.39 3ghb s GLU 100 CO 0.58 0.05 0.00 -0.25 -0.49 0.00 0.00 175.26 175.16 3ghb n ASP 100 N -0.48 0.13 0.00 -0.19 9.92 -1.26 -0.95 116.55 123.71 3ghb n ASP 100 Ca -0.06 -0.73 0.00 0.00 -0.53 0.00 0.00 54.79 53.47 3ghb n ASP 100 Cb 0.63 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 3ghb n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ghb n TYR 100 N -0.68 0.00 -2.23 1.24 4.11 -0.35 -4.93 117.16 114.32 3ghb n TYR 100 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.48 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 -2.40 3.36 0.00 -3.48 -1.94 -1.26 0.12 119.30 113.70 3ghb s MET 100 Ca 0.00 0.94 0.00 0.00 -1.71 0.00 0.00 55.69 54.92 3ghb s MET 100 Cb 0.00 -4.13 0.00 0.00 2.01 0.00 0.00 34.83 32.71 3ghb s MET 100 CO 0.00 -1.84 0.00 -3.47 -0.01 0.00 0.00 175.02 169.70 3ghb n ASP 101 N 9.77 0.00 -4.77 3.03 2.03 0.12 -4.84 116.55 121.89 3ghb n ASP 101 Ca 0.18 0.06 -0.39 0.00 0.52 0.00 0.00 54.79 55.15 3ghb n ASP 101 Cb 0.48 -0.07 -0.06 0.00 -0.72 0.00 0.00 41.12 40.75 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 -0.15 4.59 -0.01 5.18 1.01 -1.26 -4.92 120.40 124.85 3ghb s VAL 102 Ca 0.00 1.56 0.07 0.00 0.00 0.00 0.00 61.98 63.60 3ghb s VAL 102 Cb 0.00 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 3ghb s VAL 102 CO 0.00 0.47 -0.21 0.26 0.00 0.00 0.00 175.10 175.62 3ghb s TRP 103 N -0.73 1.87 0.58 5.22 0.52 -1.26 -2.13 118.94 123.00 3ghb s TRP 103 Ca 0.35 -0.36 -0.04 0.00 0.02 0.00 0.00 56.10 56.07 3ghb s TRP 103 Cb -0.21 -1.19 0.01 0.00 -1.15 0.00 0.00 33.47 30.93 3ghb s TRP 103 CO 0.23 -0.02 0.87 0.20 0.02 0.00 0.00 176.95 178.25 3ghb s GLY 104 N -0.57 1.62 0.52 0.98 0.00 -0.62 -4.57 107.32 104.69 3ghb s GLY 104 Ca 0.08 -0.82 0.32 0.00 0.00 0.00 0.00 44.72 44.29 3ghb s GLY 104 CO -0.01 -0.55 1.92 0.50 0.00 0.00 0.00 173.10 174.97 3ghb h LYS 105 N -0.11 0.00 0.00 2.90 1.79 -1.91 -3.44 116.57 115.79 3ghb h LYS 105 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 3ghb h LYS 105 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 3ghb h LYS 105 CO 0.59 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.37 3ghb n GLY 106 N 0.17 -1.22 3.14 3.86 0.00 -1.26 -4.97 105.19 104.91 3ghb n GLY 106 Ca 0.01 -1.56 -0.20 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.06 1.13 -0.06 2.61 -1.32 0.25 -4.83 115.64 110.36 3ghb s THR 107 Ca 0.00 -0.98 -0.18 0.00 -1.21 0.00 0.00 61.69 59.32 3ghb s THR 107 Cb 0.00 -1.02 -0.05 0.00 -1.51 0.00 0.00 72.50 69.93 3ghb s THR 107 CO 0.00 0.03 0.48 -0.89 -2.21 0.00 0.00 174.62 172.03 3ghb s THR 108 N -0.82 5.08 -0.18 5.08 2.01 -1.26 0.09 115.64 125.64 3ghb s THR 108 Ca 0.02 0.99 0.01 0.00 0.31 0.00 0.00 61.69 63.02 3ghb s THR 108 Cb -0.08 -3.82 0.03 0.00 0.01 0.00 0.00 72.50 68.64 3ghb s THR 108 CO 0.01 0.41 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.50 3ghb s VAL 109 N 0.01 1.85 -0.27 3.82 1.01 0.27 -1.04 120.40 126.04 3ghb s VAL 109 Ca 0.26 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 3ghb s VAL 109 Cb -0.16 -1.74 0.03 0.00 0.00 0.00 0.00 36.38 34.52 3ghb s VAL 109 CO 0.13 0.43 -0.03 -0.89 0.00 0.00 0.00 175.10 174.74 3ghb s THR 110 N 1.36 3.00 -0.50 3.92 2.01 -0.05 -1.11 115.64 124.26 3ghb s THR 110 Ca 0.03 -1.15 -0.14 0.00 0.31 0.00 0.00 61.69 60.75 3ghb s THR 110 Cb -0.14 -2.61 0.11 0.00 0.01 0.00 0.00 72.50 69.87 3ghb s THR 110 CO -0.11 0.07 0.42 -0.69 -0.69 0.00 0.00 174.62 173.62 3ghb s VAL 111 N 1.31 4.94 0.12 3.82 1.01 -1.26 -0.65 120.40 129.69 3ghb s VAL 111 Ca -0.02 -1.43 -0.16 0.00 0.00 0.00 0.00 61.98 60.37 3ghb s VAL 111 Cb -0.18 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.13 3ghb s VAL 111 CO -0.03 -0.74 0.40 -0.55 0.00 0.00 0.00 175.10 174.18 3ghb s SER 112 N 3.03 -0.23 0.00 3.32 0.15 -0.49 -4.27 113.70 115.20 3ghb s SER 112 Ca 0.04 -0.31 0.25 0.00 0.70 0.00 0.00 55.95 56.63 3ghb s SER 112 Cb -0.27 0.47 0.45 0.00 -1.71 0.00 0.00 66.02 64.96 3ghb s SER 112 CO 0.03 -0.84 1.37 -1.54 1.20 0.00 0.00 173.24 173.47 3ghb n SER 113 N -0.18 1.36 -4.74 5.45 3.41 -1.26 -3.93 113.62 113.72 3ghb n SER 113 Ca -0.16 -1.09 -0.31 0.00 -0.26 0.00 0.00 58.87 57.05 3ghb n SER 113 Cb 0.63 0.29 0.11 0.00 -0.26 0.00 0.00 64.21 64.98 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 -2.53 2.08 0.17 7.33 0.00 -1.26 -5.06 121.76 122.49 3ghb s ALA 114 Ca 0.21 0.39 -0.15 0.00 0.00 0.00 0.00 51.96 52.42 3ghb s ALA 114 Cb 0.19 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 20.00 3ghb s ALA 114 CO 0.56 -1.97 0.42 -1.54 0.00 0.00 0.00 175.76 173.23 3ghb s SER 115 N -3.10 -0.16 -0.34 0.00 1.04 -1.26 -5.06 113.70 104.82 3ghb s SER 115 Ca 0.63 -0.55 -0.32 0.00 0.48 0.00 0.00 55.95 56.19 3ghb s SER 115 Cb -0.19 0.51 -0.14 0.00 0.10 0.00 0.00 66.02 66.30 3ghb s SER 115 CO 0.55 -0.96 1.08 0.41 0.98 0.00 0.00 173.24 175.30 3ghb n THR 116 N -0.27 0.00 -3.69 2.02 -1.04 -1.25 -4.71 114.28 105.34 3ghb n THR 116 Ca -0.11 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.80 3ghb n THR 116 Cb 0.63 -0.34 -0.10 0.00 -1.82 0.00 0.00 70.33 68.70 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 2.03 0.41 0.74 -2.82 2.20 0.70 -4.94 119.74 118.06 3ghb s LYS 117 Ca 0.71 0.86 -0.11 0.00 -0.36 0.00 0.00 55.97 57.08 3ghb s LYS 117 Cb -1.01 0.04 0.04 0.00 -1.51 0.00 0.00 37.83 35.39 3ghb s LYS 117 CO 0.55 -0.17 1.08 0.20 -0.36 0.00 0.00 175.35 176.65 3ghb s GLY 118 N 1.60 1.67 0.52 5.54 0.00 -1.26 -1.11 107.32 114.27 3ghb s GLY 118 Ca -0.08 0.14 -0.06 0.00 0.00 0.00 0.00 44.72 44.71 3ghb s GLY 118 CO -0.13 0.48 0.84 2.56 0.00 0.00 0.00 173.10 176.84 3ghb s PRO 119 N -4.99 3.48 -0.16 2.90 0.04 -1.26 -4.52 135.00 130.49 3ghb s PRO 119 Ca 0.60 0.26 -0.06 0.00 0.04 0.00 0.00 61.00 61.84 3ghb s PRO 119 Cb -0.15 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 3ghb s PRO 119 CO 0.55 -0.32 0.05 -1.12 0.04 0.00 0.00 177.00 176.20 3ghb s SER 120 N -4.14 5.54 -0.15 6.66 0.01 0.34 -4.90 113.70 117.05 3ghb s SER 120 Ca 0.49 0.10 -0.00 0.00 1.31 0.00 0.00 55.95 57.85 3ghb s SER 120 Cb -0.10 -1.88 -0.01 0.00 0.21 0.00 0.00 66.02 64.24 3ghb s SER 120 CO 0.46 0.22 -0.13 -0.69 0.41 0.00 0.00 173.24 173.52 3ghb s VAL 121 N 0.06 2.94 0.10 3.43 1.01 -1.26 0.14 120.40 126.82 3ghb s VAL 121 Ca 0.05 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.44 3ghb s VAL 121 Cb -0.12 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3ghb s VAL 121 CO 0.01 0.51 -0.24 -0.36 0.00 0.00 0.00 175.10 175.02 3ghb s PHE 122 N 0.65 2.09 0.34 5.22 0.08 -0.47 -4.96 117.98 120.92 3ghb s PHE 122 Ca -0.07 -0.40 -0.26 0.00 0.12 0.00 0.00 56.93 56.32 3ghb s PHE 122 Cb -0.15 -1.17 -0.09 0.00 -0.57 0.00 0.00 43.02 41.03 3ghb s PHE 122 CO 0.02 0.23 1.02 -1.25 -0.10 0.00 0.00 175.22 175.14 3ghb s PRO 123 N -1.76 4.45 -0.37 0.24 0.04 -1.26 -0.65 135.00 135.68 3ghb s PRO 123 Ca 0.11 1.50 -0.07 0.00 0.04 0.00 0.00 61.00 62.58 3ghb s PRO 123 Cb -0.10 -2.80 0.06 0.00 0.04 0.00 0.00 34.50 31.69 3ghb s PRO 123 CO 0.04 0.12 0.15 -0.51 0.04 0.00 0.00 177.00 176.84 3ghb s LEU 124 N -2.11 4.63 0.07 -3.56 1.43 0.19 -4.80 118.68 114.54 3ghb s LEU 124 Ca 0.51 -1.34 0.07 0.00 -1.03 0.00 0.00 54.13 52.34 3ghb s LEU 124 Cb -0.23 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 3ghb s LEU 124 CO 0.29 -0.40 -0.18 0.00 0.23 0.00 0.00 176.35 176.29 3ghb s ALA 125 N 1.38 1.53 0.47 4.21 0.00 -1.26 -1.14 121.76 126.95 3ghb s ALA 125 Ca 0.01 -1.08 -0.25 0.00 0.00 0.00 0.00 51.96 50.64 3ghb s ALA 125 Cb -0.21 -0.21 -0.08 0.00 0.00 0.00 0.00 23.12 22.62 3ghb s ALA 125 CO 0.02 0.30 1.40 -0.35 0.00 0.00 0.00 175.76 177.12 3ghb n PRO 126 N 1.41 2.10 -0.12 0.00 -0.04 -1.26 -4.94 135.00 132.15 3ghb n PRO 126 Ca -0.19 0.75 -0.10 0.00 -0.04 0.00 0.00 63.50 63.92 3ghb n PRO 126 Cb 0.54 -2.59 -0.02 0.00 -0.04 0.00 0.00 33.50 31.38 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 -5.97 6.47 0.33 0.00 0.01 -1.26 -5.06 113.70 108.21 3ghb s SER 128 Ca -0.13 0.54 -0.29 0.00 1.31 0.00 0.00 55.95 57.38 3ghb s SER 128 Cb 0.09 -2.07 -0.11 0.00 0.21 0.00 0.00 66.02 64.14 3ghb s SER 128 CO 0.76 0.05 1.50 -0.60 0.41 0.00 0.00 173.24 175.36 3ghb s ARG 129 N -2.71 4.16 0.40 12.44 3.52 -1.26 -4.94 118.95 130.56 3ghb s ARG 129 Ca 0.40 2.50 -0.26 0.00 -0.13 0.00 0.00 55.73 58.24 3ghb s ARG 129 Cb -0.12 -3.02 -0.09 0.00 -1.56 0.00 0.00 34.95 30.17 3ghb s ARG 129 CO 0.25 -0.51 1.26 -1.12 -0.81 0.00 0.00 175.30 174.37 3ghb s SER 130 N 0.09 6.37 -0.12 -2.12 0.01 -1.26 -5.02 113.70 111.65 3ghb s SER 130 Ca 0.57 2.56 -0.07 0.00 1.31 0.00 0.00 55.95 60.31 3ghb s SER 130 Cb -0.46 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.10 3ghb s SER 130 CO 0.55 -0.80 0.15 -0.89 0.41 0.00 0.00 173.24 172.65 3ghb s THR 131 N -1.30 5.49 0.58 1.44 2.01 -1.26 -4.00 115.64 118.60 3ghb s THR 131 Ca 0.57 0.23 -0.18 0.00 0.31 0.00 0.00 61.69 62.62 3ghb s THR 131 Cb -0.36 -3.41 -0.07 0.00 0.01 0.00 0.00 72.50 68.67 3ghb s THR 131 CO 0.46 0.61 0.71 -1.54 -0.69 0.00 0.00 174.62 174.17 3ghb n SER 132 N 2.04 -0.26 -0.46 3.53 3.41 -1.26 -4.66 113.62 115.96 3ghb n SER 132 Ca -0.20 0.77 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 3ghb n SER 132 Cb 0.55 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 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 1.57 -3.31 5.52 5.00 0.00 -1.26 -4.94 105.19 107.76 3ghb n GLY 133 Ca 0.13 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.40 -1.85 3.50 -0.02 0.00 -1.26 -4.72 105.19 99.44 3ghb n GLY 134 Ca 0.00 -1.52 -0.25 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 2.38 0.10 2.61 -4.23 -1.26 -1.17 115.64 114.06 3ghb s THR 135 Ca 0.00 -2.32 0.05 0.00 -1.18 0.00 0.00 61.69 58.23 3ghb s THR 135 Cb 0.00 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 71.36 3ghb s THR 135 CO 0.00 -0.32 -0.12 0.00 -0.54 0.00 0.00 174.62 173.64 3ghb s ALA 136 N -2.55 1.23 -0.10 3.99 0.00 0.02 -4.66 121.76 119.69 3ghb s ALA 136 Ca 0.31 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 51.14 3ghb s ALA 136 Cb -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3ghb s ALA 136 CO 0.16 0.06 -0.15 0.00 0.00 0.00 0.00 175.76 175.83 3ghb s ALA 137 N -1.98 2.58 0.05 0.00 0.00 -1.26 -1.08 121.76 120.06 3ghb s ALA 137 Ca 0.04 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 3ghb s ALA 137 Cb -0.06 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 3ghb s ALA 137 CO 0.02 0.36 0.07 -0.48 0.00 0.00 0.00 175.76 175.73 3ghb s LEU 138 N -0.04 1.96 0.00 0.00 0.05 -0.65 -4.41 118.68 115.59 3ghb s LEU 138 Ca -0.04 -0.71 0.00 0.00 0.05 0.00 0.00 54.13 53.43 3ghb s LEU 138 Cb -0.14 0.55 0.00 0.00 -2.05 0.00 0.00 46.19 44.55 3ghb s LEU 138 CO 0.04 -0.58 0.00 0.61 -0.55 0.00 0.00 176.35 175.87 3ghb n GLY 139 N 0.39 1.17 3.08 -3.48 0.00 -0.29 -0.02 105.19 106.03 3ghb n GLY 139 Ca -0.17 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.12 4.02 -0.49 0.00 2.96 0.17 -1.59 118.68 123.63 3ghb s LEU 141 Ca 0.01 -0.11 -0.11 0.00 -0.22 0.00 0.00 54.13 53.70 3ghb s LEU 141 Cb -0.07 -2.09 0.12 0.00 0.50 0.00 0.00 46.19 44.64 3ghb s LEU 141 CO 0.00 -0.08 0.39 -0.69 -1.32 0.00 0.00 176.35 174.65 3ghb s VAL 142 N 1.73 4.55 0.16 1.68 1.01 0.46 -1.37 120.40 128.62 3ghb s VAL 142 Ca 0.07 -1.65 0.03 0.00 0.00 0.00 0.00 61.98 60.43 3ghb s VAL 142 Cb -0.16 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 3ghb s VAL 142 CO 0.10 -0.78 0.29 -0.54 0.00 0.00 0.00 175.10 174.17 3ghb s LYS 143 N 1.45 3.41 -0.93 2.72 1.02 0.12 -1.38 119.74 126.15 3ghb s LYS 143 Ca 0.05 -0.64 -0.10 0.00 0.02 0.00 0.00 55.97 55.30 3ghb s LYS 143 Cb -0.27 -2.94 0.01 0.00 -0.52 0.00 0.00 37.83 34.11 3ghb s LYS 143 CO 0.01 0.51 0.62 -0.25 -0.92 0.00 0.00 175.35 175.31 3ghb n ASP 144 N -0.67 -4.57 -4.43 2.83 8.00 -1.07 -0.51 116.55 116.14 3ghb n ASP 144 Ca -0.07 -1.08 -0.23 0.00 0.71 0.00 0.00 54.79 54.12 3ghb n ASP 144 Cb 0.54 -1.58 -0.10 0.00 -0.02 0.00 0.00 41.12 39.96 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 -3.14 2.15 -0.28 1.24 1.13 -0.62 -4.27 117.35 113.56 3ghb s TYR 145 Ca 0.14 -0.39 -0.19 0.00 -1.41 0.00 0.00 57.07 55.22 3ghb s TYR 145 Cb -0.08 -0.96 0.11 0.00 -1.10 0.00 0.00 41.96 39.93 3ghb s TYR 145 CO 0.92 0.60 0.85 0.12 -2.51 0.00 0.00 175.55 175.53 3ghb s PHE 146 N -2.47 -0.76 0.00 -3.49 2.19 -0.27 -1.26 117.98 111.92 3ghb s PHE 146 Ca 0.27 1.61 0.00 0.00 0.33 0.00 0.00 56.93 59.14 3ghb s PHE 146 Cb -0.05 0.44 0.00 0.00 -1.31 0.00 0.00 43.02 42.10 3ghb s PHE 146 CO 0.12 -0.37 0.00 -0.35 1.83 0.00 0.00 175.22 176.45 3ghb n PRO 147 N 3.50 1.46 -1.36 10.12 -0.04 -1.26 -0.22 135.00 147.20 3ghb n PRO 147 Ca -0.17 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.97 3ghb n PRO 147 Cb 0.57 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.12 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 -0.75 2.39 0.49 0.54 0.41 -1.26 -4.76 118.70 115.76 3ghb s GLU 148 Ca 0.00 1.19 0.07 0.00 -0.41 0.00 0.00 54.97 55.81 3ghb s GLU 148 Cb 0.00 -1.91 0.01 0.00 -1.78 0.00 0.00 34.13 30.45 3ghb s GLU 148 CO 0.00 -1.54 0.39 -1.25 -0.49 0.00 0.00 175.26 172.37 3ghb s PRO 149 N -4.79 2.34 0.00 0.39 0.04 -1.26 -4.93 135.00 126.79 3ghb s PRO 149 Ca 0.62 -1.83 0.05 0.00 0.04 0.00 0.00 61.00 59.88 3ghb s PRO 149 Cb -0.17 -2.20 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 3ghb s PRO 149 CO 0.54 -0.44 -0.16 0.08 0.04 0.00 0.00 177.00 177.05 3ghb s VAL 150 N -2.66 1.27 0.08 -0.36 1.01 -1.26 -4.37 120.40 114.12 3ghb s VAL 150 Ca 0.41 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.67 3ghb s VAL 150 Cb -0.02 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3ghb s VAL 150 CO 0.24 0.27 -0.19 0.42 0.00 0.00 0.00 175.10 175.84 3ghb s THR 151 N -0.51 2.77 -0.04 3.92 -4.23 -0.38 -4.97 115.64 112.19 3ghb s THR 151 Ca 0.05 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.20 3ghb s THR 151 Cb -0.07 -2.22 0.02 0.00 1.34 0.00 0.00 72.50 71.58 3ghb s THR 151 CO 0.00 0.21 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.55 3ghb s VAL 152 N -1.03 0.58 0.20 2.29 1.01 -1.26 -0.86 120.40 121.34 3ghb s VAL 152 Ca 0.16 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.04 3ghb s VAL 152 Cb -0.10 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 3ghb s VAL 152 CO 0.08 0.23 -0.08 -0.94 0.00 0.00 0.00 175.10 174.39 3ghb s SER 153 N 0.86 2.14 -0.07 3.32 1.04 -0.54 -4.96 113.70 115.50 3ghb s SER 153 Ca -0.12 -1.10 0.06 0.00 0.48 0.00 0.00 55.95 55.27 3ghb s SER 153 Cb -0.15 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 65.91 3ghb s SER 153 CO 0.01 -0.34 -0.24 0.26 0.98 0.00 0.00 173.24 173.90 3ghb s TRP 154 N -3.22 2.43 -1.46 5.02 0.52 -1.26 0.19 118.94 121.17 3ghb s TRP 154 Ca 0.23 -0.79 -0.03 0.00 0.02 0.00 0.00 56.10 55.53 3ghb s TRP 154 Cb 0.03 -1.61 0.03 0.00 -1.15 0.00 0.00 33.47 30.77 3ghb s TRP 154 CO 0.06 -0.26 0.48 0.09 0.02 0.00 0.00 176.95 177.34 3ghb n ASN 155 N 3.09 -0.87 -2.33 2.95 3.02 0.62 -1.51 115.26 120.22 3ghb n ASN 155 Ca -0.18 -1.01 -0.21 0.00 -0.03 0.00 0.00 54.58 53.16 3ghb n ASN 155 Cb 0.52 -3.00 -0.02 0.00 -0.61 0.00 0.00 39.78 36.68 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 -2.93 -5.85 0.00 6.41 7.64 -1.26 -1.77 113.62 115.86 3ghb n SER 156 Ca -0.24 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.67 3ghb n SER 156 Cb 0.65 -4.89 0.00 0.00 -1.01 0.00 0.00 64.21 58.96 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 -0.96 1.05 0.25 0.23 0.00 -0.57 -4.91 105.19 100.29 3ghb n GLY 157 Ca -0.24 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 0.99 -3.09 4.61 0.00 -1.30 -3.41 119.26 117.05 3ghb h ALA 158 Ca 0.00 -0.05 -0.67 0.00 0.00 0.00 0.00 54.91 54.20 3ghb h ALA 158 Cb 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 17.79 17.50 3ghb h ALA 158 CO 0.00 0.06 -0.70 -1.17 0.00 0.00 0.00 179.25 177.45 3ghb s LEU 159 N -6.29 3.30 0.00 0.00 2.96 -1.07 -4.92 118.68 112.65 3ghb s LEU 159 Ca 0.03 -0.64 0.00 0.00 -0.22 0.00 0.00 54.13 53.29 3ghb s LEU 159 Cb 0.08 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 45.01 3ghb s LEU 159 CO 0.59 -0.11 0.00 0.35 -1.32 0.00 0.00 176.35 175.87 3ghb n THR 160 N 4.78 0.00 -2.34 3.68 -2.24 -1.26 -4.25 114.28 112.65 3ghb n THR 160 Ca -0.16 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 3ghb n THR 160 Cb 0.49 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 3ghb n THR 160 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ghb s SER 161 N -2.02 7.04 0.00 3.42 1.04 -1.26 -2.58 113.70 119.34 3ghb s SER 161 Ca 0.00 2.25 0.00 0.00 0.48 0.00 0.00 55.95 58.68 3ghb s SER 161 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 3ghb s SER 161 CO 0.00 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.41 3ghb n GLY 162 N 2.35 0.60 3.70 7.32 0.00 -1.26 -4.78 105.19 113.11 3ghb n GLY 162 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.45 5.22 -0.15 1.61 1.01 -1.06 -1.18 120.40 123.39 3ghb s VAL 163 Ca 0.00 0.72 -0.03 0.00 0.00 0.00 0.00 61.98 62.68 3ghb s VAL 163 Cb 0.00 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.70 3ghb s VAL 163 CO 0.00 0.30 0.03 -2.28 0.00 0.00 0.00 175.10 173.15 3ghb s HIS 164 N 0.94 0.82 -0.22 5.22 2.46 0.56 -5.00 115.29 120.07 3ghb s HIS 164 Ca 0.20 -0.57 -0.08 0.00 0.47 0.00 0.00 55.06 55.08 3ghb s HIS 164 Cb -0.14 -0.92 -0.04 0.00 -0.13 0.00 0.00 32.58 31.35 3ghb s HIS 164 CO 0.07 -0.51 0.08 0.99 -2.47 0.00 0.00 174.74 172.90 3ghb s THR 165 N 1.93 4.59 0.21 0.89 2.01 -1.26 -1.16 115.64 122.83 3ghb s THR 165 Ca 0.01 -0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.81 3ghb s THR 165 Cb -0.15 -3.11 -0.07 0.00 0.01 0.00 0.00 72.50 69.17 3ghb s THR 165 CO -0.07 0.38 0.56 -0.36 -0.69 0.00 0.00 174.62 174.44 3ghb s PHE 166 N 1.09 3.48 0.49 4.92 0.40 -0.08 -5.00 117.98 123.27 3ghb s PHE 166 Ca 0.04 0.95 -0.24 0.00 -0.60 0.00 0.00 56.93 57.09 3ghb s PHE 166 Cb -0.14 -2.31 -0.07 0.00 0.51 0.00 0.00 43.02 41.01 3ghb s PHE 166 CO 0.03 0.31 1.40 -2.30 0.70 0.00 0.00 175.22 175.37 3ghb n PRO 167 N 0.16 2.04 -2.02 0.24 -0.02 -1.26 -4.28 135.00 129.86 3ghb n PRO 167 Ca -0.01 0.73 -0.34 0.00 -2.02 0.00 0.00 63.50 61.86 3ghb n PRO 167 Cb 0.52 -2.60 0.02 0.00 -0.02 0.00 0.00 33.50 31.42 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 -1.23 2.62 -0.08 3.55 0.00 -1.26 -4.81 121.76 120.55 3ghb s ALA 168 Ca 0.65 0.59 -0.05 0.00 0.00 0.00 0.00 51.96 53.15 3ghb s ALA 168 Cb -0.44 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 3ghb s ALA 168 CO 0.54 -0.96 0.13 0.54 0.00 0.00 0.00 175.76 176.02 3ghb s VAL 169 N -2.18 5.31 -0.23 0.00 0.11 0.80 -4.91 120.40 119.30 3ghb s VAL 169 Ca 0.68 0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 59.64 3ghb s VAL 169 Cb -0.20 -3.36 -0.05 0.00 -1.53 0.00 0.00 36.38 31.24 3ghb s VAL 169 CO 0.35 0.53 0.22 -0.22 -3.33 0.00 0.00 175.10 172.64 3ghb s LEU 170 N -1.29 4.12 0.42 2.54 2.96 -1.26 -2.08 118.68 124.09 3ghb s LEU 170 Ca 0.18 0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 54.26 3ghb s LEU 170 Cb -0.12 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 3ghb s LEU 170 CO 0.08 0.03 0.70 -1.10 -1.32 0.00 0.00 176.35 174.75 3ghb s GLN 171 N 1.13 3.55 0.48 1.98 -0.21 -0.24 -4.97 119.66 121.38 3ghb s GLN 171 Ca 0.10 0.06 0.33 0.00 0.02 0.00 0.00 55.36 55.87 3ghb s GLN 171 Cb -0.14 -2.47 1.57 0.00 1.00 0.00 0.00 33.01 32.97 3ghb s GLN 171 CO 0.05 -0.07 1.98 0.66 -2.12 0.00 0.00 175.29 175.80 3ghb h SER 172 N 0.56 0.00 0.99 5.90 4.64 -1.98 -0.89 113.55 122.77 3ghb h SER 172 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3ghb h SER 172 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3ghb h SER 172 CO 0.62 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.04 3ghb n SER 173 N -2.75 0.27 0.00 4.97 3.41 -1.26 -4.88 113.62 113.38 3ghb n SER 173 Ca -0.01 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 3ghb n SER 173 Cb 0.17 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 3ghb n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ghb n GLY 174 N 1.01 0.40 3.89 5.00 0.00 -0.34 -4.25 105.19 110.91 3ghb n GLY 174 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 4.31 0.28 0.99 1.43 -1.26 -4.85 118.68 119.59 3ghb s LEU 175 Ca 0.00 0.56 0.06 0.00 -1.03 0.00 0.00 54.13 53.72 3ghb s LEU 175 Cb 0.00 -3.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.12 3ghb s LEU 175 CO 0.00 0.13 0.31 -0.31 0.23 0.00 0.00 176.35 176.71 3ghb s TYR 176 N -1.52 3.16 -0.07 0.29 1.51 -0.39 -1.08 117.35 119.25 3ghb s TYR 176 Ca 0.36 -0.15 -0.15 0.00 -1.01 0.00 0.00 57.07 56.13 3ghb s TYR 176 Cb -0.13 -1.64 0.03 0.00 -0.11 0.00 0.00 41.96 40.11 3ghb s TYR 176 CO 0.22 0.33 0.35 -1.12 -1.11 0.00 0.00 175.55 174.22 3ghb s SER 177 N -3.97 -0.28 0.26 2.29 0.01 -0.89 -1.59 113.70 109.52 3ghb s SER 177 Ca 0.37 0.37 -0.09 0.00 1.31 0.00 0.00 55.95 57.91 3ghb s SER 177 Cb -0.08 0.50 -0.01 0.00 0.21 0.00 0.00 66.02 66.64 3ghb s SER 177 CO 0.27 -0.32 0.42 -1.48 0.41 0.00 0.00 173.24 172.54 3ghb s LEU 178 N -0.71 0.57 0.02 2.44 0.05 -0.48 -0.14 118.68 120.44 3ghb s LEU 178 Ca -0.08 -1.10 0.02 0.00 0.05 0.00 0.00 54.13 53.02 3ghb s LEU 178 Cb -0.04 1.49 -0.02 0.00 -2.05 0.00 0.00 46.19 45.58 3ghb s LEU 178 CO 0.03 -1.12 -0.07 -0.44 -0.55 0.00 0.00 176.35 174.20 3ghb s SER 179 N -3.08 0.79 -0.09 1.48 0.01 -1.26 -0.40 113.70 111.14 3ghb s SER 179 Ca 0.27 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 57.16 3ghb s SER 179 Cb 0.01 -0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.25 3ghb s SER 179 CO 0.11 -0.09 -0.10 -0.55 0.41 0.00 0.00 173.24 173.02 3ghb s SER 180 N -1.00 1.93 0.13 2.44 0.15 -0.62 -0.91 113.70 115.82 3ghb s SER 180 Ca -0.05 -0.29 0.07 0.00 0.70 0.00 0.00 55.95 56.38 3ghb s SER 180 Cb -0.07 -0.81 -0.04 0.00 -1.71 0.00 0.00 66.02 63.39 3ghb s SER 180 CO 0.00 -0.05 -0.17 0.68 1.20 0.00 0.00 173.24 174.90 3ghb s VAL 181 N 1.19 1.61 -0.02 4.45 -7.23 -0.31 -0.38 120.40 119.70 3ghb s VAL 181 Ca -0.05 -1.74 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 3ghb s VAL 181 Cb -0.14 -1.64 -0.00 0.00 0.56 0.00 0.00 36.38 35.16 3ghb s VAL 181 CO -0.02 -0.28 -0.08 0.54 -0.31 0.00 0.00 175.10 174.94 3ghb s VAL 182 N -1.83 0.69 -0.16 1.32 0.11 0.97 -0.32 120.40 121.19 3ghb s VAL 182 Ca 0.11 -0.34 -0.07 0.00 -2.93 0.00 0.00 61.98 58.75 3ghb s VAL 182 Cb -0.07 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 3ghb s VAL 182 CO 0.05 0.21 0.08 0.42 -3.33 0.00 0.00 175.10 172.53 3ghb s THR 183 N 0.05 4.97 0.10 5.04 -4.23 -0.33 -1.64 115.64 119.61 3ghb s THR 183 Ca -0.00 0.02 -0.00 0.00 -1.18 0.00 0.00 61.69 60.52 3ghb s THR 183 Cb -0.06 -3.21 -0.04 0.00 1.34 0.00 0.00 72.50 70.53 3ghb s THR 183 CO 0.00 0.51 0.00 0.68 -0.54 0.00 0.00 174.62 175.28 3ghb s VAL 184 N -0.10 0.27 0.05 2.29 -7.23 -0.24 -4.65 120.40 110.78 3ghb s VAL 184 Ca 0.08 -1.88 -0.30 0.00 -1.81 0.00 0.00 61.98 58.07 3ghb s VAL 184 Cb -0.12 -1.80 -0.09 0.00 0.56 0.00 0.00 36.38 34.93 3ghb s VAL 184 CO 0.01 -0.72 1.90 -2.84 -0.31 0.00 0.00 175.10 173.13 3ghb s PRO 185 N -3.96 4.15 0.39 4.82 0.02 -1.26 -0.80 135.00 138.35 3ghb s PRO 185 Ca 0.16 2.57 0.11 0.00 0.02 0.00 0.00 61.00 63.85 3ghb s PRO 185 Cb 0.07 -4.00 0.90 0.00 0.02 0.00 0.00 34.50 31.50 3ghb s PRO 185 CO -0.03 -0.91 1.93 0.66 -0.33 0.00 0.00 177.00 178.31 3ghb h SER 186 N 9.97 0.53 -0.06 2.53 4.64 -1.41 -1.55 113.55 128.20 3ghb h SER 186 Ca -0.48 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 60.81 3ghb h SER 186 Cb 1.23 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 3ghb h SER 186 CO 0.94 0.30 0.01 -1.20 -0.87 0.00 0.00 176.83 176.01 3ghb n SER 187 N -4.50 5.47 0.00 4.97 7.64 -1.26 -2.50 113.62 123.44 3ghb n SER 187 Ca 0.13 -2.49 0.00 0.00 1.01 0.00 0.00 58.87 57.52 3ghb n SER 187 Cb 0.41 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 3ghb n SER 187 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3ghb n SER 188 N 1.47 0.00 -4.73 6.43 3.41 -0.58 -5.01 113.62 114.61 3ghb n SER 188 Ca 0.08 -0.91 -0.42 0.00 -0.26 0.00 0.00 58.87 57.36 3ghb n SER 188 Cb 0.55 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 3ghb n SER 188 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ghb s LEU 189 N 0.00 4.41 0.00 1.04 1.43 -1.04 -2.75 118.68 121.78 3ghb s LEU 189 Ca 0.00 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 3ghb s LEU 189 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 3ghb s LEU 189 CO 0.00 -0.44 0.00 0.61 0.23 0.00 0.00 176.35 176.75 3ghb n GLY 190 N 2.68 1.67 0.03 -3.19 0.00 -1.26 -4.69 105.19 100.43 3ghb n GLY 190 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 3ghb n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ghb n THR 191 N -2.00 0.00 -3.79 2.61 -2.24 -1.11 -4.97 114.28 102.78 3ghb n THR 191 Ca 0.00 -0.02 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 3ghb n THR 191 Cb 0.00 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.01 3ghb n THR 191 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ghb s GLN 192 N -2.96 1.54 0.18 -0.78 -2.07 -1.25 -5.16 119.66 109.15 3ghb s GLN 192 Ca 0.10 -0.93 0.06 0.00 -1.82 0.00 0.00 55.36 52.77 3ghb s GLN 192 Cb 0.17 0.55 -0.04 0.00 -1.09 0.00 0.00 33.01 32.60 3ghb s GLN 192 CO 0.80 -0.67 0.07 0.95 -1.32 0.00 0.00 175.29 175.13 3ghb s THR 193 N -3.90 4.12 -0.15 3.63 -4.23 -1.26 -4.94 115.64 108.91 3ghb s THR 193 Ca 0.11 -1.27 -0.00 0.00 -1.18 0.00 0.00 61.69 59.35 3ghb s THR 193 Cb -0.03 -3.10 0.04 0.00 1.34 0.00 0.00 72.50 70.75 3ghb s THR 193 CO 0.02 -0.13 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.60 3ghb s TYR 194 N -1.78 1.63 -0.10 3.99 2.02 -1.26 -4.97 117.35 116.88 3ghb s TYR 194 Ca 0.30 -0.96 0.01 0.00 -0.37 0.00 0.00 57.07 56.04 3ghb s TYR 194 Cb -0.09 -1.29 0.02 0.00 -0.40 0.00 0.00 41.96 40.19 3ghb s TYR 194 CO 0.21 -0.58 -0.11 0.99 -1.57 0.00 0.00 175.55 174.49 3ghb s THR 195 N 1.66 1.21 -0.04 -0.71 2.01 -1.26 -0.64 115.64 117.87 3ghb s THR 195 Ca 0.02 -0.46 -0.18 0.00 0.31 0.00 0.00 61.69 61.39 3ghb s THR 195 Cb -0.14 -1.15 -0.05 0.00 0.01 0.00 0.00 72.50 71.17 3ghb s THR 195 CO -0.08 0.39 0.49 0.00 -0.69 0.00 0.00 174.62 174.73 3ghb s ASN 197 N -0.17 5.51 -0.22 0.00 -0.87 0.13 -2.02 114.94 117.30 3ghb s ASN 197 Ca 0.27 -1.30 -0.09 0.00 -1.57 0.00 0.00 52.86 50.16 3ghb s ASN 197 Cb -0.17 -1.94 -0.05 0.00 -0.02 0.00 0.00 41.25 39.08 3ghb s ASN 197 CO 0.13 -0.43 0.12 -0.69 -2.57 0.00 0.00 177.10 173.67 3ghb s VAL 198 N 1.42 5.13 -0.13 1.60 1.01 0.10 -1.46 120.40 128.08 3ghb s VAL 198 Ca 0.01 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.10 3ghb s VAL 198 Cb -0.21 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 32.82 3ghb s VAL 198 CO 0.03 0.39 -0.16 0.21 0.00 0.00 0.00 175.10 175.57 3ghb s ASN 199 N 0.81 2.62 -0.57 3.32 3.84 -0.04 -0.49 114.94 124.43 3ghb s ASN 199 Ca 0.06 -0.47 0.03 0.00 0.21 0.00 0.00 52.86 52.69 3ghb s ASN 199 Cb -0.13 -1.17 0.14 0.00 -0.55 0.00 0.00 41.25 39.54 3ghb s ASN 199 CO 0.02 0.00 0.33 -2.28 -2.79 0.00 0.00 177.10 172.38 3ghb s HIS 200 N 1.11 3.28 0.24 0.43 5.65 0.39 -1.24 115.29 125.13 3ghb s HIS 200 Ca -0.03 -3.13 -0.06 0.00 0.25 0.00 0.00 55.06 52.09 3ghb s HIS 200 Cb -0.14 -2.87 0.37 0.00 -1.18 0.00 0.00 32.58 28.75 3ghb s HIS 200 CO -0.04 -0.73 1.79 -0.22 -0.65 0.00 0.00 174.74 174.89 3ghb h LYS 201 N 6.41 0.68 -0.98 2.88 1.63 -1.80 -0.68 116.57 124.70 3ghb h LYS 201 Ca -0.04 -0.04 0.22 0.00 -0.85 0.00 0.00 60.65 59.94 3ghb h LYS 201 Cb 0.88 -0.15 -0.09 0.00 -0.60 0.00 0.00 32.23 32.27 3ghb h LYS 201 CO 0.70 0.45 0.63 -1.35 -3.45 0.00 0.00 179.45 176.43 3ghb h PRO 202 N 0.70 0.51 -0.36 1.90 0.11 -1.89 0.11 132.00 133.06 3ghb h PRO 202 Ca 0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3ghb h PRO 202 Cb 0.37 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3ghb h PRO 202 CO -0.26 0.33 0.00 -1.13 -0.21 0.00 0.00 178.00 176.74 3ghb n SER 203 N -4.64 2.97 -3.92 -2.05 3.41 -1.02 -4.98 113.62 103.39 3ghb n SER 203 Ca 0.23 -1.94 -0.29 0.00 -0.26 0.00 0.00 58.87 56.60 3ghb n SER 203 Cb 0.72 -0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 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 0.72 -1.86 -4.33 4.04 4.13 0.02 -4.88 115.26 113.10 3ghb n ASN 204 Ca 0.13 -1.06 -0.32 0.00 1.68 0.00 0.00 54.58 55.01 3ghb n ASN 204 Cb 0.44 -2.89 -0.15 0.00 -1.54 0.00 0.00 39.78 35.64 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 -3.83 2.47 -0.03 3.41 2.01 -0.79 -5.01 115.64 113.87 3ghb s THR 205 Ca 0.17 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.29 3ghb s THR 205 Cb -0.07 -1.95 0.00 0.00 0.01 0.00 0.00 72.50 70.49 3ghb s THR 205 CO 0.90 0.56 -0.12 -0.54 -0.69 0.00 0.00 174.62 174.73 3ghb s LYS 206 N -0.13 1.27 -0.03 4.92 1.02 -1.26 -0.46 119.74 125.07 3ghb s LYS 206 Ca -0.03 -0.41 0.01 0.00 0.02 0.00 0.00 55.97 55.56 3ghb s LYS 206 Cb -0.14 -1.14 0.02 0.00 -0.52 0.00 0.00 37.83 36.05 3ghb s LYS 206 CO 0.04 0.15 -0.04 0.08 -0.92 0.00 0.00 175.35 174.66 3ghb s VAL 207 N 0.16 0.47 -0.18 3.17 1.01 0.35 -5.00 120.40 120.39 3ghb s VAL 207 Ca -0.04 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.82 3ghb s VAL 207 Cb -0.10 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.82 3ghb s VAL 207 CO 0.01 0.19 -0.18 -1.81 0.00 0.00 0.00 175.10 173.31 3ghb s ASP 208 N 0.65 3.26 -0.14 3.32 1.01 -1.26 0.02 116.67 123.53 3ghb s ASP 208 Ca -0.08 -0.62 -0.01 0.00 0.71 0.00 0.00 52.55 52.55 3ghb s ASP 208 Cb -0.11 -1.51 0.04 0.00 1.01 0.00 0.00 42.92 42.35 3ghb s ASP 208 CO -0.00 0.00 -0.05 -0.75 0.21 0.00 0.00 175.17 174.58 3ghb s LYS 209 N 1.28 1.35 0.32 8.23 2.47 -0.86 -4.98 119.74 127.56 3ghb s LYS 209 Ca 0.04 -0.38 -0.27 0.00 -1.56 0.00 0.00 55.97 53.80 3ghb s LYS 209 Cb -0.13 -1.81 -0.09 0.00 -1.46 0.00 0.00 37.83 34.34 3ghb s LYS 209 CO -0.11 -0.39 1.03 0.50 0.16 0.00 0.00 175.35 176.54 3ghb s ARG 210 N 1.70 4.49 -0.29 4.03 3.52 -1.26 -2.05 118.95 129.08 3ghb s ARG 210 Ca 0.02 1.58 0.03 0.00 -0.13 0.00 0.00 55.73 57.23 3ghb s ARG 210 Cb -0.14 -2.91 0.07 0.00 -1.56 0.00 0.00 34.95 30.41 3ghb s ARG 210 CO -0.08 0.14 -0.05 0.08 -0.81 0.00 0.00 175.30 174.58 3ghb s VAL 211 N -1.42 2.32 -0.21 7.11 1.01 0.19 -4.95 120.40 124.45 3ghb s VAL 211 Ca 0.50 -1.79 -0.07 0.00 0.00 0.00 0.00 61.98 60.61 3ghb s VAL 211 Cb -0.25 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3ghb s VAL 211 CO 0.32 -0.19 0.07 -1.61 0.00 0.00 0.00 175.10 173.69 3ghb s GLU 212 N 1.07 3.83 0.19 2.72 0.41 -1.26 -4.46 118.70 121.20 3ghb s GLU 212 Ca -0.03 -0.40 0.06 0.00 -0.41 0.00 0.00 54.97 54.18 3ghb s GLU 212 Cb -0.20 -3.26 -0.04 0.00 -1.78 0.00 0.00 34.13 28.85 3ghb s GLU 212 CO -0.05 0.07 0.11 -0.51 -0.49 0.00 0.00 175.26 174.39 3ghb s LEU 213 N 0.93 3.66 0.33 1.80 1.02 -1.26 -5.04 118.68 120.11 3ghb s LEU 213 Ca 0.04 -0.25 -0.29 0.00 0.02 0.00 0.00 54.13 53.66 3ghb s LEU 213 Cb -0.14 -2.25 -0.10 0.00 0.02 0.00 0.00 46.19 43.72 3ghb s LEU 213 CO 0.03 0.05 1.28 -0.54 0.02 0.00 0.00 176.35 177.19 3ghb s LYS 214 N -3.25 4.36 0.18 1.70 -0.14 -1.26 -4.65 119.74 116.69 3ghb s LYS 214 Ca 0.31 2.16 -0.30 0.00 -1.36 0.00 0.00 55.97 56.78 3ghb s LYS 214 Cb -0.09 -3.06 -0.08 0.00 -1.68 0.00 0.00 37.83 32.92 3ghb s LYS 214 CO 0.22 -0.16 1.18 0.99 -0.76 0.00 0.00 175.35 176.82 3ghb s THR 215 N -1.15 3.64 0.27 2.17 2.01 -1.26 -4.43 115.64 116.88 3ghb s THR 215 Ca 0.49 1.38 -0.29 0.00 0.31 0.00 0.00 61.69 63.57 3ghb s THR 215 Cb -0.39 -3.88 -0.14 0.00 0.01 0.00 0.00 72.50 68.10 3ghb s THR 215 CO 0.51 0.22 1.15 -2.65 -0.69 0.00 0.00 174.62 173.16 3ghb n PRO 216 N 2.55 1.55 0.00 4.92 -0.02 -1.26 -4.91 135.00 137.83 3ghb n PRO 216 Ca 0.04 0.55 0.06 0.00 -2.02 0.00 0.00 63.50 62.13 3ghb n PRO 216 Cb 0.45 -2.02 0.36 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