#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gll s PHE 12 N 0.00 1.75 0.46 3.69 0.40 -0.21 -4.98 117.98 119.09 2gll s PHE 12 Ca 0.00 -0.33 0.08 0.00 -0.60 0.00 0.00 56.93 56.08 2gll s PHE 12 Cb 0.00 -1.13 0.01 0.00 0.51 0.00 0.00 43.02 42.42 2gll s PHE 12 CO 0.00 -0.03 0.48 -0.06 0.70 0.00 0.00 175.22 176.31 2gll s PHE 13 N -0.46 2.33 0.33 0.36 0.40 -1.26 -0.91 117.98 118.77 2gll s PHE 13 Ca 0.08 -0.58 0.12 0.00 -0.60 0.00 0.00 56.93 55.95 2gll s PHE 13 Cb -0.08 -2.17 1.01 0.00 0.51 0.00 0.00 43.02 42.30 2gll s PHE 13 CO -0.01 -0.39 1.65 0.97 0.70 0.00 0.00 175.22 178.15 2gll h ILE 14 N 0.79 0.28 -0.57 0.64 6.09 -1.91 0.65 117.51 123.48 2gll h ILE 14 Ca -0.39 -0.09 0.02 0.00 -1.37 0.00 0.00 64.86 63.03 2gll h ILE 14 Cb 1.28 -0.02 -0.03 0.00 0.47 0.00 0.00 36.82 38.52 2gll h ILE 14 CO 0.53 0.05 0.35 -0.33 -3.07 0.00 0.00 178.15 175.68 2gll h GLU 15 N 0.27 0.68 -0.17 2.19 3.07 -1.94 -0.02 114.58 118.66 2gll h GLU 15 Ca 0.70 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.49 2gll h GLU 15 Cb 1.56 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 29.31 2gll h GLU 15 CO -0.63 0.45 0.02 0.45 -1.40 0.00 0.00 179.01 177.89 2gll h HIS 16 N 0.70 0.31 -0.37 4.33 3.86 -1.29 -3.02 115.15 119.67 2gll h HIS 16 Ca 0.22 -0.05 0.07 0.00 -1.16 0.00 0.00 60.37 59.45 2gll h HIS 16 Cb -0.01 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 28.32 2gll h HIS 16 CO -0.05 0.47 -0.02 0.82 0.86 0.00 0.00 177.93 180.01 2gll h ILE 17 N 0.05 0.70 -0.16 2.45 2.04 -0.97 -1.53 117.51 120.10 2gll h ILE 17 Ca 0.05 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.93 2gll h ILE 17 Cb 0.34 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2gll h ILE 17 CO 0.01 0.01 0.21 -0.07 0.00 0.00 0.00 178.15 178.31 2gll h LEU 18 N 0.08 0.00 0.00 1.44 3.38 -0.92 0.28 115.31 119.57 2gll h LEU 18 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2gll h LEU 18 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2gll h LEU 18 CO -0.32 0.00 -0.66 0.00 0.09 0.00 0.00 178.44 177.55 2gll n GLN 19 N -3.64 0.26 -0.13 1.13 6.02 -0.59 -4.34 117.38 116.08 2gll n GLN 19 Ca 0.01 0.06 -0.24 0.00 -0.01 0.00 0.00 57.00 56.82 2gll n GLN 19 Cb 0.32 -1.65 -0.10 0.00 1.02 0.00 0.00 30.24 29.84 2gll n GLN 19 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2gll n ILE 20 N -2.01 1.40 -3.39 5.09 2.08 -0.21 -4.50 119.36 117.83 2gll n ILE 20 Ca 0.03 -0.42 -0.37 0.00 0.56 0.00 0.00 62.75 62.55 2gll n ILE 20 Cb 0.43 -1.68 -0.06 0.00 -0.75 0.00 0.00 39.64 37.58 2gll n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2gll s LEU 21 N -7.05 4.45 0.31 1.39 1.43 -0.08 -4.83 118.68 114.29 2gll s LEU 21 Ca -0.35 1.08 0.24 0.00 -1.03 0.00 0.00 54.13 54.07 2gll s LEU 21 Cb 0.12 -2.90 0.41 0.00 0.03 0.00 0.00 46.19 43.85 2gll s LEU 21 CO 0.49 0.24 1.53 1.55 0.23 0.00 0.00 176.35 180.39 2gll h PRO 22 N 4.27 0.00 -6.71 1.29 0.13 -1.88 -3.43 132.00 125.67 2gll h PRO 22 Ca -0.50 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.06 2gll h PRO 22 Cb 1.21 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.44 2gll h PRO 22 CO 0.64 0.00 0.58 0.72 -0.23 0.00 0.00 178.00 179.70 2gll n HIS 23 N -2.71 2.31 -4.42 1.56 8.25 -1.26 -5.02 115.22 113.94 2gll n HIS 23 Ca 0.04 0.49 -0.23 0.00 -0.26 0.00 0.00 57.72 57.76 2gll n HIS 23 Cb 0.50 -2.45 -0.08 0.00 1.12 0.00 0.00 29.99 29.08 2gll n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2gll s ARG 24 N -1.34 1.86 0.30 -0.41 1.81 -1.26 -4.65 118.95 115.26 2gll s ARG 24 Ca 0.60 -2.11 -0.30 0.00 -1.72 0.00 0.00 55.73 52.20 2gll s ARG 24 Cb -0.58 -0.19 -0.12 0.00 -0.45 0.00 0.00 34.95 33.61 2gll s ARG 24 CO 0.57 -0.56 1.54 0.98 -0.68 0.00 0.00 175.30 177.15 2gll n TYR 25 N -0.79 2.77 -1.91 -0.53 4.19 -1.26 0.56 117.16 120.19 2gll n TYR 25 Ca -0.00 0.32 -0.35 0.00 3.31 0.00 0.00 57.90 61.18 2gll n TYR 25 Cb 0.64 -2.56 0.04 0.00 0.49 0.00 0.00 39.34 37.95 2gll n TYR 25 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 2gll n PRO 26 N 1.77 2.95 -0.02 2.98 -0.04 -1.26 -4.94 135.00 136.43 2gll n PRO 26 Ca 0.07 -3.72 0.01 0.00 -0.04 0.00 0.00 63.50 59.82 2gll n PRO 26 Cb 0.36 -2.27 0.02 0.00 -0.04 0.00 0.00 33.50 31.57 2gll n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2gll n MET 27 N -0.63 2.21 -3.21 0.54 2.81 0.19 -4.94 117.12 114.09 2gll n MET 27 Ca 0.52 -1.47 -0.44 0.00 -1.81 0.00 0.00 57.70 54.50 2gll n MET 27 Cb 0.48 -0.97 -0.06 0.00 -0.71 0.00 0.00 33.22 31.96 2gll n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 2gll s LEU 28 N -1.06 5.30 -0.36 4.03 2.96 -1.04 -4.69 118.68 123.83 2gll s LEU 28 Ca 0.04 -1.18 0.07 0.00 -0.22 0.00 0.00 54.13 52.84 2gll s LEU 28 Cb 0.04 -2.34 0.58 0.00 0.50 0.00 0.00 46.19 44.97 2gll s LEU 28 CO 0.00 -0.88 1.67 0.18 -1.32 0.00 0.00 176.35 176.00 2gll n LEU 29 N 5.90 5.28 -3.85 -0.68 4.77 -1.26 -4.88 117.00 122.28 2gll n LEU 29 Ca -0.09 -3.69 -0.26 0.00 -0.03 0.00 0.00 56.01 51.93 2gll n LEU 29 Cb 0.44 -0.72 -0.17 0.00 -2.33 0.00 0.00 43.42 40.63 2gll n LEU 29 CO 0.53 1.16 -0.41 -0.69 -1.33 0.00 0.00 177.39 176.65 2gll s VAL 30 N -3.26 0.83 -0.04 4.08 1.01 -1.26 -4.62 120.40 117.13 2gll s VAL 30 Ca 0.50 -0.28 0.09 0.00 0.00 0.00 0.00 61.98 62.29 2gll s VAL 30 Cb 0.44 -0.97 -0.24 0.00 0.00 0.00 0.00 36.38 35.62 2gll s VAL 30 CO 0.05 0.23 0.66 0.44 0.00 0.00 0.00 175.10 176.48 2gll h ASP 31 N 8.21 0.07 -4.78 3.32 3.32 -1.51 -3.48 116.42 121.57 2gll h ASP 31 Ca -0.25 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.62 2gll h ASP 31 Cb 1.12 -0.02 -0.20 0.00 0.22 0.00 0.00 39.33 40.45 2gll h ASP 31 CO 0.36 1.13 0.23 -0.60 -1.72 0.00 0.00 179.24 178.64 2gll s ARG 32 N -2.60 0.98 -0.25 3.56 3.52 -0.97 -3.20 118.95 119.98 2gll s ARG 32 Ca -0.07 0.31 -0.06 0.00 -0.13 0.00 0.00 55.73 55.78 2gll s ARG 32 Cb 0.08 0.46 -0.01 0.00 -1.56 0.00 0.00 34.95 33.92 2gll s ARG 32 CO 0.82 -0.29 0.03 0.42 -0.81 0.00 0.00 175.30 175.47 2gll s ILE 33 N -1.03 3.88 -0.16 4.11 -1.09 -0.09 -1.14 121.20 125.68 2gll s ILE 33 Ca -0.09 -0.42 0.14 0.00 -2.23 0.00 0.00 60.65 58.04 2gll s ILE 33 Cb -0.01 -2.85 -0.24 0.00 -1.58 0.00 0.00 42.46 37.79 2gll s ILE 33 CO 0.08 0.30 0.19 0.35 -1.23 0.00 0.00 174.94 174.64 2gll n THR 34 N 4.86 1.48 -4.15 2.92 -2.24 -0.24 -1.04 114.28 115.87 2gll n THR 34 Ca -0.16 -0.80 -0.15 0.00 -2.27 0.00 0.00 64.05 60.66 2gll n THR 34 Cb 0.50 -0.78 -0.14 0.00 -2.10 0.00 0.00 70.33 67.81 2gll n THR 34 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2gll s GLU 35 N -2.52 0.44 -0.26 -0.78 2.02 -0.45 -4.44 118.70 112.70 2gll s GLU 35 Ca -0.12 -0.26 -0.06 0.00 0.02 0.00 0.00 54.97 54.54 2gll s GLU 35 Cb 0.07 -0.39 0.13 0.00 0.10 0.00 0.00 34.13 34.03 2gll s GLU 35 CO 0.80 0.10 0.53 -1.17 0.02 0.00 0.00 175.26 175.54 2gll s LEU 36 N -0.31 -0.96 -0.24 1.80 2.96 -1.26 -1.10 118.68 119.56 2gll s LEU 36 Ca 0.00 1.07 0.02 0.00 -0.22 0.00 0.00 54.13 55.01 2gll s LEU 36 Cb -0.03 1.81 0.05 0.00 0.50 0.00 0.00 46.19 48.51 2gll s LEU 36 CO -0.00 -0.24 -0.13 -1.10 -1.32 0.00 0.00 176.35 173.56 2gll s GLN 37 N 2.75 2.46 0.23 1.98 -0.21 -0.10 -5.01 119.66 121.76 2gll s GLN 37 Ca 0.03 -1.20 -0.31 0.00 0.02 0.00 0.00 55.36 53.90 2gll s GLN 37 Cb -0.13 -2.83 -0.14 0.00 1.00 0.00 0.00 33.01 30.91 2gll s GLN 37 CO -0.17 -0.48 1.18 0.00 -2.12 0.00 0.00 175.29 173.71 2gll n ALA 38 N 4.49 -0.04 -0.36 6.09 0.00 -1.26 -1.04 120.51 128.40 2gll n ALA 38 Ca -0.16 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2gll n ALA 38 Cb 0.44 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2gll n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2gll n ASN 39 N 1.74 0.00 0.00 0.00 4.13 -1.26 -4.73 115.26 115.14 2gll n ASN 39 Ca 0.12 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.38 2gll n ASN 39 Cb 0.29 -1.63 0.00 0.00 -1.54 0.00 0.00 39.78 36.90 2gll n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2gll n GLN 40 N -2.00 0.00 -3.97 3.52 6.02 -0.20 -4.57 117.38 116.18 2gll n GLN 40 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 2gll n GLN 40 Cb 0.00 -0.12 -0.04 0.00 1.02 0.00 0.00 30.24 31.11 2gll n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2gll s LYS 41 N -0.55 1.76 -0.05 -1.09 -2.85 -0.74 0.37 119.74 116.59 2gll s LYS 41 Ca 0.00 -1.36 -0.14 0.00 -1.00 0.00 0.00 55.97 53.47 2gll s LYS 41 Cb 0.00 0.50 0.03 0.00 -2.06 0.00 0.00 37.83 36.30 2gll s LYS 41 CO 0.00 -0.76 0.33 -1.50 0.10 0.00 0.00 175.35 173.52 2gll s ILE 42 N -3.54 0.04 -0.10 3.79 2.07 0.49 -0.92 121.20 123.02 2gll s ILE 42 Ca 0.22 -0.33 -0.01 0.00 -1.41 0.00 0.00 60.65 59.12 2gll s ILE 42 Cb -0.02 -0.59 0.03 0.00 0.13 0.00 0.00 42.46 42.01 2gll s ILE 42 CO 0.12 -0.18 -0.04 -0.69 -1.91 0.00 0.00 174.94 172.23 2gll s VAL 43 N -0.89 0.78 0.22 4.00 1.01 -0.26 -1.66 120.40 123.61 2gll s VAL 43 Ca -0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 2gll s VAL 43 Cb -0.04 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 2gll s VAL 43 CO 0.03 0.31 0.19 0.00 0.00 0.00 0.00 175.10 175.63 2gll s ALA 44 N 1.80 1.09 0.17 5.51 0.00 -0.41 -1.08 121.76 128.84 2gll s ALA 44 Ca 0.05 -1.65 -0.10 0.00 0.00 0.00 0.00 51.96 50.25 2gll s ALA 44 Cb -0.13 1.36 -0.00 0.00 0.00 0.00 0.00 23.12 24.35 2gll s ALA 44 CO -0.07 -0.63 0.32 1.52 0.00 0.00 0.00 175.76 176.90 2gll s TYR 45 N -4.03 0.31 -0.04 0.00 1.13 -0.29 0.18 117.35 114.61 2gll s TYR 45 Ca 0.37 -0.67 0.01 0.00 -1.41 0.00 0.00 57.07 55.37 2gll s TYR 45 Cb 0.05 0.02 0.02 0.00 -1.10 0.00 0.00 41.96 40.95 2gll s TYR 45 CO 0.14 -0.75 -0.02 0.21 -2.51 0.00 0.00 175.55 172.62 2gll s LYS 46 N -3.95 0.53 0.37 -3.49 2.20 0.22 -1.23 119.74 114.39 2gll s LYS 46 Ca 0.16 0.00 -0.24 0.00 -0.36 0.00 0.00 55.97 55.53 2gll s LYS 46 Cb 0.03 -0.65 -0.10 0.00 -1.51 0.00 0.00 37.83 35.60 2gll s LYS 46 CO -0.01 -0.12 0.98 -0.80 -0.36 0.00 0.00 175.35 175.04 2gll s ASN 47 N 1.02 7.07 -0.19 1.43 0.01 -1.26 -0.76 114.94 122.26 2gll s ASN 47 Ca -0.10 1.86 -0.02 0.00 -0.71 0.00 0.00 52.86 53.90 2gll s ASN 47 Cb -0.14 -2.57 -0.00 0.00 0.41 0.00 0.00 41.25 38.95 2gll s ASN 47 CO -0.01 -0.26 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.58 2gll s ILE 48 N -1.76 2.95 0.21 0.60 -1.09 -0.24 -4.89 121.20 116.99 2gll s ILE 48 Ca 0.55 -0.65 0.04 0.00 -2.23 0.00 0.00 60.65 58.36 2gll s ILE 48 Cb -0.17 -2.29 -0.05 0.00 -1.58 0.00 0.00 42.46 38.36 2gll s ILE 48 CO 0.22 0.48 -0.03 0.28 -1.23 0.00 0.00 174.94 174.66 2gll s THR 49 N 1.12 1.09 0.20 2.92 -1.32 -1.26 0.76 115.64 119.15 2gll s THR 49 Ca 0.01 -2.05 0.15 0.00 -1.21 0.00 0.00 61.69 58.59 2gll s THR 49 Cb -0.14 -2.22 0.06 0.00 -1.51 0.00 0.00 72.50 68.69 2gll s THR 49 CO -0.03 -0.43 1.67 0.15 -2.21 0.00 0.00 174.62 173.76 2gll h PHE 50 N 2.55 0.00 0.00 9.09 3.57 -1.96 -3.30 116.94 126.88 2gll h PHE 50 Ca -0.38 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.12 2gll h PHE 50 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 2gll h PHE 50 CO 0.60 0.48 0.00 -1.71 -2.23 0.00 0.00 178.31 175.45 2gll n ASN 51 N -3.63 2.82 -4.29 0.41 4.05 -1.26 -4.75 115.26 108.62 2gll n ASN 51 Ca -0.01 -1.68 -0.32 0.00 0.45 0.00 0.00 54.58 53.03 2gll n ASN 51 Cb 0.57 -0.58 -0.16 0.00 1.23 0.00 0.00 39.78 40.84 2gll n ASN 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2gll s GLU 52 N 0.73 2.97 0.45 1.20 2.02 -1.24 -5.03 118.70 119.80 2gll s GLU 52 Ca 0.00 -0.82 0.20 0.00 0.02 0.00 0.00 54.97 54.37 2gll s GLU 52 Cb 0.00 -2.36 1.18 0.00 0.10 0.00 0.00 34.13 33.05 2gll s GLU 52 CO 0.00 0.28 1.89 0.22 0.02 0.00 0.00 175.26 177.66 2gll h ASP 53 N 6.43 0.30 -0.69 -0.19 3.58 -1.95 -2.30 116.42 121.61 2gll h ASP 53 Ca -0.26 0.03 0.09 0.00 0.42 0.00 0.00 57.03 57.31 2gll h ASP 53 Cb 1.21 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 42.19 2gll h ASP 53 CO 0.50 0.13 0.45 -0.37 -2.88 0.00 0.00 179.24 177.07 2gll h VAL 54 N 0.30 0.93 0.00 2.25 -1.51 -1.95 -1.86 116.25 114.40 2gll h VAL 54 Ca 0.42 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.70 2gll h VAL 54 Cb 1.18 0.31 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 2gll h VAL 54 CO -0.12 0.10 0.00 0.49 -1.23 0.00 0.00 177.57 176.81 2gll n PHE 55 N -4.48 0.82 0.17 5.19 0.99 -0.86 -1.63 117.46 117.66 2gll n PHE 55 Ca 0.11 0.37 0.04 0.00 -0.00 0.00 0.00 57.45 57.96 2gll n PHE 55 Cb 0.34 -1.09 0.43 0.00 -1.00 0.00 0.00 39.48 38.16 2gll n PHE 55 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 2gll h ASN 56 N 0.00 0.10 0.00 4.37 2.35 -1.51 -3.25 115.58 117.64 2gll h ASN 56 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2gll h ASN 56 Cb 0.21 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2gll h ASN 56 CO 0.00 0.30 0.00 0.61 -1.65 0.00 0.00 177.43 176.69 2gll n GLY 57 N -0.86 1.32 2.32 2.83 0.00 -0.64 -4.05 105.19 106.11 2gll n GLY 57 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 2gll n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2gll n HIS 58 N -0.31 -1.05 -4.18 1.61 -0.00 -0.90 -4.54 115.22 105.86 2gll n HIS 58 Ca 0.00 -3.15 -0.13 0.00 -0.00 0.00 0.00 57.72 54.44 2gll n HIS 58 Cb 0.16 0.09 -0.10 0.00 -0.00 0.00 0.00 29.99 30.14 2gll n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2gll s PHE 59 N -0.73 0.99 0.24 1.57 0.40 0.02 -1.15 117.98 119.31 2gll s PHE 59 Ca 0.34 -0.78 -0.31 0.00 -0.60 0.00 0.00 56.93 55.59 2gll s PHE 59 Cb 0.18 -0.55 -0.14 0.00 0.51 0.00 0.00 43.02 43.02 2gll s PHE 59 CO -0.14 -0.06 1.30 -0.35 0.70 0.00 0.00 175.22 176.67 2gll n PRO 60 N 0.23 1.75 -1.70 0.24 -0.04 -1.26 -0.47 135.00 133.77 2gll n PRO 60 Ca -0.14 0.62 -0.18 0.00 -0.04 0.00 0.00 63.50 63.76 2gll n PRO 60 Cb 0.59 -2.21 -0.07 0.00 -0.04 0.00 0.00 33.50 31.78 2gll n PRO 60 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2gll n ASN 61 N 1.92 -4.96 -2.72 3.54 3.02 -1.26 -4.82 115.26 109.98 2gll n ASN 61 Ca 0.12 0.38 -0.06 0.00 -0.03 0.00 0.00 54.58 54.99 2gll n ASN 61 Cb 0.30 -4.38 0.05 0.00 -0.61 0.00 0.00 39.78 35.14 2gll n ASN 61 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2gll n LYS 62 N -2.36 0.47 -1.91 3.52 0.00 0.38 -5.14 118.16 113.13 2gll n LYS 62 Ca -0.19 -1.32 -0.43 0.00 0.00 0.00 0.00 58.31 56.37 2gll n LYS 62 Cb 0.62 -0.90 -0.03 0.00 0.00 0.00 0.00 35.03 34.72 2gll n LYS 62 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2gll s PRO 63 N 0.54 3.45 -0.10 1.64 0.04 -1.19 -0.80 135.00 138.57 2gll s PRO 63 Ca 0.29 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2gll s PRO 63 Cb 0.19 -4.20 0.02 0.00 0.04 0.00 0.00 34.50 30.55 2gll s PRO 63 CO -0.16 -1.73 -0.08 0.42 0.04 0.00 0.00 177.00 175.49 2gll s ILE 64 N 6.67 1.03 -0.01 0.56 1.01 -0.30 -4.50 121.20 125.66 2gll s ILE 64 Ca 0.84 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.86 2gll s ILE 64 Cb -0.27 -1.02 -0.06 0.00 0.01 0.00 0.00 42.46 41.12 2gll s ILE 64 CO 0.34 0.36 1.51 0.12 0.00 0.00 0.00 174.94 177.27 2gll s PHE 65 N 1.45 2.53 0.19 3.97 5.36 -0.29 -4.55 117.98 126.64 2gll s PHE 65 Ca 0.00 0.56 -0.32 0.00 -0.96 0.00 0.00 56.93 56.21 2gll s PHE 65 Cb -0.13 -3.79 -0.15 0.00 -0.34 0.00 0.00 43.02 38.61 2gll s PHE 65 CO -0.05 -3.08 1.15 -2.30 -1.46 0.00 0.00 175.22 169.48 2gll n PRO 66 N 5.95 1.22 0.00 10.12 -0.02 -1.26 -4.62 135.00 146.39 2gll n PRO 66 Ca 0.15 0.43 -0.02 0.00 -2.02 0.00 0.00 63.50 62.04 2gll n PRO 66 Cb 0.43 -1.92 0.23 0.00 -0.02 0.00 0.00 33.50 32.22 2gll n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2gll h GLY 67 N 3.22 0.55 1.89 -1.23 0.00 -1.99 -2.32 103.07 103.20 2gll h GLY 67 Ca -0.43 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.45 2gll h GLY 67 CO 0.69 0.37 -0.19 -0.39 0.00 0.00 0.00 176.54 177.02 2gll h VAL 68 N 0.46 1.18 0.00 4.60 -1.51 -2.00 -1.56 116.25 117.43 2gll h VAL 68 Ca 0.08 -0.83 -0.10 0.00 -1.23 0.00 0.00 66.70 64.62 2gll h VAL 68 Cb 0.56 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 2gll h VAL 68 CO 0.04 0.25 -0.46 -0.07 -1.23 0.00 0.00 177.57 176.09 2gll h LEU 69 N 0.13 0.00 -0.74 4.19 3.38 -1.80 -0.66 115.31 119.81 2gll h LEU 69 Ca 0.02 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 2gll h LEU 69 Cb 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2gll h LEU 69 CO 0.03 0.46 -0.17 0.40 0.09 0.00 0.00 178.44 179.26 2gll h ILE 70 N 0.00 1.26 -0.37 1.22 2.04 -0.90 -0.46 117.51 120.31 2gll h ILE 70 Ca -0.00 -1.26 -0.14 0.00 1.00 0.00 0.00 64.86 64.45 2gll h ILE 70 Cb 1.16 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 2gll h ILE 70 CO 0.06 0.43 -0.34 0.58 0.00 0.00 0.00 178.15 178.87 2gll h VAL 71 N 0.70 1.28 -0.44 1.67 2.07 -1.00 -1.80 116.25 118.73 2gll h VAL 71 Ca 0.11 -1.51 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 2gll h VAL 71 Cb 0.67 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2gll h VAL 71 CO 0.05 0.50 0.07 -0.08 0.02 0.00 0.00 177.57 178.13 2gll h GLU 72 N 0.70 0.67 -0.53 1.57 4.57 -0.75 -0.20 114.58 120.61 2gll h GLU 72 Ca 0.07 -0.13 -0.11 0.00 -1.18 0.00 0.00 59.36 58.01 2gll h GLU 72 Cb 0.91 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 2gll h GLU 72 CO 0.08 0.64 -0.09 0.78 -1.18 0.00 0.00 179.01 179.24 2gll h GLY 73 N 0.89 1.07 1.46 1.92 0.00 -0.80 -1.19 103.07 106.41 2gll h GLY 73 Ca 0.14 -0.83 -0.12 0.00 0.00 0.00 0.00 47.33 46.51 2gll h GLY 73 CO 0.00 0.76 -0.34 -0.33 0.00 0.00 0.00 176.54 176.64 2gll h MET 74 N 0.88 0.60 0.05 4.80 2.86 -0.67 -1.92 114.93 121.54 2gll h MET 74 Ca 0.14 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2gll h MET 74 Cb 0.64 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.29 2gll h MET 74 CO 0.04 0.86 -0.02 0.00 1.06 0.00 0.00 176.91 178.85 2gll h ALA 75 N 1.12 -0.07 -0.89 6.32 0.00 -0.80 -0.37 119.26 124.57 2gll h ALA 75 Ca 0.06 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2gll h ALA 75 Cb 0.83 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 2gll h ALA 75 CO 0.07 -0.47 0.57 1.96 0.00 0.00 0.00 179.25 181.38 2gll h GLN 76 N -0.21 1.03 -0.43 0.00 4.20 -1.13 0.25 115.11 118.82 2gll h GLN 76 Ca -0.01 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 2gll h GLN 76 Cb 0.18 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2gll h GLN 76 CO 0.01 0.68 0.10 0.77 -0.67 0.00 0.00 178.83 179.72 2gll h SER 77 N 1.06 0.67 -0.52 1.46 0.02 -1.13 -0.74 113.55 114.36 2gll h SER 77 Ca 0.37 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2gll h SER 77 Cb 0.10 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 2gll h SER 77 CO -0.15 0.73 0.23 1.23 -1.14 0.00 0.00 176.83 177.74 2gll h GLY 78 N 0.57 0.81 1.02 -3.77 0.00 -0.25 -0.52 103.07 100.93 2gll h GLY 78 Ca 0.14 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 2gll h GLY 78 CO 0.00 0.40 0.42 -1.33 0.00 0.00 0.00 176.54 176.03 2gll h GLY 79 N 0.69 1.23 1.20 4.60 0.00 -0.36 0.23 103.07 110.67 2gll h GLY 79 Ca 0.18 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 2gll h GLY 79 CO -0.02 0.55 0.42 -2.75 0.00 0.00 0.00 176.54 174.74 2gll h PHE 80 N 1.13 1.03 0.17 5.60 3.57 -0.75 0.88 116.94 128.58 2gll h PHE 80 Ca 0.28 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 2gll h PHE 80 Cb 0.07 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.48 2gll h PHE 80 CO 0.01 0.71 -0.08 1.25 -2.23 0.00 0.00 178.31 177.97 2gll h LEU 81 N 1.06 -0.20 -0.74 0.59 5.85 -0.11 -1.78 115.31 119.98 2gll h LEU 81 Ca 0.27 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.81 2gll h LEU 81 Cb 0.02 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 2gll h LEU 81 CO -0.04 0.12 0.46 0.00 -0.34 0.00 0.00 178.44 178.64 2gll h ALA 82 N 0.23 0.97 0.21 1.25 0.00 -0.23 -1.75 119.26 119.94 2gll h ALA 82 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2gll h ALA 82 Cb 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2gll h ALA 82 CO 0.04 0.24 -0.10 0.35 0.00 0.00 0.00 179.25 179.78 2gll h PHE 83 N 0.90 -0.26 0.00 0.00 3.57 -0.81 -3.09 116.94 117.25 2gll h PHE 83 Ca 0.30 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 2gll h PHE 83 Cb 0.03 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 2gll h PHE 83 CO -0.04 0.05 -0.17 1.79 -2.23 0.00 0.00 178.31 177.71 2gll h THR 84 N -0.57 0.72 -0.45 4.41 1.35 -1.26 -0.63 112.91 116.47 2gll h THR 84 Ca -0.03 -0.68 -0.09 0.00 -0.55 0.00 0.00 66.41 65.06 2gll h THR 84 Cb 0.42 1.42 -0.02 0.00 -1.73 0.00 0.00 68.15 68.24 2gll h THR 84 CO 0.05 0.16 -0.08 0.28 -0.25 0.00 0.00 175.52 175.68 2gll h SER 85 N 0.00 0.79 0.12 5.36 0.02 -1.30 0.24 113.55 118.79 2gll h SER 85 Ca -0.00 -0.23 -0.27 0.00 -0.84 0.00 0.00 61.79 60.46 2gll h SER 85 Cb 0.40 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2gll h SER 85 CO 0.02 0.90 -1.34 -0.07 -1.14 0.00 0.00 176.83 175.20 2gll h LEU 86 N 0.73 0.40 -1.13 5.07 3.38 -1.34 -3.42 115.31 119.00 2gll h LEU 86 Ca 0.13 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.23 2gll h LEU 86 Cb 0.56 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2gll h LEU 86 CO 0.03 1.59 0.00 0.79 0.09 0.00 0.00 178.44 180.95 2gll n TRP 87 N -3.94 0.00 -4.70 1.13 8.01 -0.30 -5.13 117.44 112.52 2gll n TRP 87 Ca -0.23 -0.04 0.00 0.00 -1.31 0.00 0.00 57.50 55.91 2gll n TRP 87 Cb 0.89 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.19 2gll n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2gll n GLY 88 N -0.04 0.25 3.53 6.99 0.00 0.86 -4.09 105.19 112.69 2gll n GLY 88 Ca 0.00 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 2gll n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gll s PHE 89 N 0.00 2.87 -0.41 1.61 5.36 -1.26 -4.38 117.98 121.77 2gll s PHE 89 Ca 0.00 -1.42 0.03 0.00 -0.96 0.00 0.00 56.93 54.57 2gll s PHE 89 Cb 0.00 -4.59 0.12 0.00 -0.34 0.00 0.00 43.02 38.20 2gll s PHE 89 CO 0.00 -1.73 0.16 0.34 -1.46 0.00 0.00 175.22 172.53 2gll s ASP 90 N 4.15 4.21 0.27 6.13 -1.08 -1.26 -4.99 116.67 124.10 2gll s ASP 90 Ca 0.46 -2.40 -0.03 0.00 -0.52 0.00 0.00 52.55 50.07 2gll s ASP 90 Cb 0.00 -1.32 0.39 0.00 -1.46 0.00 0.00 42.92 40.53 2gll s ASP 90 CO -0.02 -0.32 1.90 -0.65 0.52 0.00 0.00 175.17 176.60 2gll h PRO 91 N 7.19 1.17 -0.30 4.34 0.11 -1.91 -0.77 132.00 141.82 2gll h PRO 91 Ca -0.06 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.96 2gll h PRO 91 Cb 0.96 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 2gll h PRO 91 CO 0.54 0.77 0.13 0.93 -0.21 0.00 0.00 178.00 180.17 2gll h GLU 92 N 1.20 0.45 -0.11 1.05 5.08 -1.94 -2.42 114.58 117.89 2gll h GLU 92 Ca 0.41 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.56 2gll h GLU 92 Cb 0.08 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2gll h GLU 92 CO -0.14 0.45 -0.51 0.82 -1.00 0.00 0.00 179.01 178.63 2gll h ILE 93 N 0.35 1.35 -0.93 3.13 1.08 -1.94 -3.00 117.51 117.54 2gll h ILE 93 Ca 0.10 -1.77 0.07 0.00 -0.39 0.00 0.00 64.86 62.88 2gll h ILE 93 Cb 0.16 1.83 -0.06 0.00 -3.07 0.00 0.00 36.82 35.68 2gll h ILE 93 CO -0.01 0.53 0.60 0.00 -0.69 0.00 0.00 178.15 178.58 2gll h ALA 94 N 1.23 1.51 0.00 1.87 0.00 -0.79 -0.83 119.26 122.25 2gll h ALA 94 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2gll h ALA 94 Cb 0.99 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2gll h ALA 94 CO 0.08 0.34 0.00 0.87 0.00 0.00 0.00 179.25 180.54 2gll h LYS 95 N 1.04 0.00 -0.13 0.00 1.57 -1.29 -2.83 116.57 114.92 2gll h LYS 95 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2gll h LYS 95 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2gll h LYS 95 CO -0.16 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 178.97 2gll n THR 96 N -3.08 0.15 -4.43 -0.16 -2.24 -0.33 -4.83 114.28 99.36 2gll n THR 96 Ca 0.00 -0.47 -0.25 0.00 -2.27 0.00 0.00 64.05 61.06 2gll n THR 96 Cb 0.28 0.98 -0.11 0.00 -2.10 0.00 0.00 70.33 69.38 2gll n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2gll s LYS 97 N -1.85 1.55 0.03 -0.78 -0.14 -1.07 -1.03 119.74 116.45 2gll s LYS 97 Ca 0.33 -1.60 0.05 0.00 -1.36 0.00 0.00 55.97 53.39 2gll s LYS 97 Cb 0.20 -1.77 -0.02 0.00 -1.68 0.00 0.00 37.83 34.56 2gll s LYS 97 CO 0.31 0.36 -0.16 0.42 -0.76 0.00 0.00 175.35 175.52 2gll s ILE 98 N -2.01 1.24 -0.30 2.17 1.01 0.14 -4.60 121.20 118.84 2gll s ILE 98 Ca 0.24 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.94 2gll s ILE 98 Cb -0.07 -1.10 0.08 0.00 0.01 0.00 0.00 42.46 41.39 2gll s ILE 98 CO 0.11 0.10 -0.02 -0.69 0.00 0.00 0.00 174.94 174.45 2gll s VAL 99 N -0.75 2.20 -0.25 2.92 1.01 -1.26 -0.52 120.40 123.75 2gll s VAL 99 Ca 0.04 -2.01 -0.13 0.00 0.00 0.00 0.00 61.98 59.88 2gll s VAL 99 Cb -0.08 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2gll s VAL 99 CO 0.01 -0.34 0.27 -0.47 0.00 0.00 0.00 175.10 174.57 2gll s TYR 100 N 1.01 3.28 -0.34 5.22 5.04 0.12 -4.90 117.35 126.78 2gll s TYR 100 Ca 0.02 0.32 -0.24 0.00 -2.44 0.00 0.00 57.07 54.73 2gll s TYR 100 Cb -0.19 -2.43 0.01 0.00 0.35 0.00 0.00 41.96 39.69 2gll s TYR 100 CO -0.07 -0.09 0.83 -0.06 -1.34 0.00 0.00 175.55 174.82 2gll s PHE 101 N 1.58 3.14 -0.14 4.97 0.40 -1.26 0.41 117.98 127.08 2gll s PHE 101 Ca 0.12 0.73 -0.22 0.00 -0.60 0.00 0.00 56.93 56.95 2gll s PHE 101 Cb -0.15 -3.40 -0.25 0.00 0.51 0.00 0.00 43.02 39.73 2gll s PHE 101 CO 0.08 -0.69 0.56 0.52 0.70 0.00 0.00 175.22 176.39 2gll h MET 102 N 8.32 0.10 -4.68 0.44 2.86 -1.28 -3.49 114.93 117.20 2gll h MET 102 Ca -0.24 -0.17 -0.26 0.00 -2.06 0.00 0.00 59.70 56.97 2gll h MET 102 Cb 1.09 0.06 -0.15 0.00 0.06 0.00 0.00 31.60 32.67 2gll h MET 102 CO 0.92 1.08 -0.66 0.95 1.06 0.00 0.00 176.91 180.27 2gll s THR 103 N -2.36 0.49 -0.13 2.22 -4.23 -1.14 -5.01 115.64 105.48 2gll s THR 103 Ca -0.22 -1.96 -0.09 0.00 -1.18 0.00 0.00 61.69 58.25 2gll s THR 103 Cb 0.02 -2.12 0.04 0.00 1.34 0.00 0.00 72.50 71.79 2gll s THR 103 CO 0.70 -0.45 0.33 -0.63 -0.54 0.00 0.00 174.62 174.02 2gll s ILE 104 N -3.79 -0.02 0.20 2.99 1.01 -1.26 -1.68 121.20 118.66 2gll s ILE 104 Ca 0.25 0.07 -0.16 0.00 0.00 0.00 0.00 60.65 60.81 2gll s ILE 104 Cb 0.07 -0.48 0.02 0.00 0.01 0.00 0.00 42.46 42.07 2gll s ILE 104 CO 0.04 0.03 0.49 -0.62 0.00 0.00 0.00 174.94 174.88 2gll s ASP 105 N 0.82 -0.19 -1.53 3.58 3.68 -0.06 -4.94 116.67 118.03 2gll s ASP 105 Ca -0.05 -0.62 -0.04 0.00 2.13 0.00 0.00 52.55 53.97 2gll s ASP 105 Cb -0.06 0.57 0.00 0.00 -1.45 0.00 0.00 42.92 41.98 2gll s ASP 105 CO -0.06 -1.06 0.49 0.29 0.13 0.00 0.00 175.17 174.96 2gll n LYS 106 N -0.33 -4.19 -2.82 4.34 4.76 -1.26 -1.07 118.16 117.58 2gll n LYS 106 Ca -0.08 0.89 -0.41 0.00 -2.87 0.00 0.00 58.31 55.84 2gll n LYS 106 Cb 0.62 -5.64 -0.04 0.00 -1.84 0.00 0.00 35.03 28.13 2gll n LYS 106 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2gll s VAL 107 N -3.13 4.92 -0.01 -0.18 1.01 -1.26 -3.92 120.40 117.82 2gll s VAL 107 Ca 0.24 1.85 0.01 0.00 0.00 0.00 0.00 61.98 64.08 2gll s VAL 107 Cb -0.11 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.06 2gll s VAL 107 CO 0.30 0.17 -0.03 -0.54 0.00 0.00 0.00 175.10 174.99 2gll s LYS 108 N 1.09 0.41 -0.22 2.72 1.02 -0.68 -4.99 119.74 119.09 2gll s LYS 108 Ca 0.47 -0.10 -0.04 0.00 0.02 0.00 0.00 55.97 56.32 2gll s LYS 108 Cb -0.20 -0.44 -0.00 0.00 -0.52 0.00 0.00 37.83 36.67 2gll s LYS 108 CO 0.23 0.02 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.58 2gll s PHE 109 N 0.29 2.96 -0.24 3.18 0.40 -1.26 -1.72 117.98 121.59 2gll s PHE 109 Ca -0.03 -1.01 -0.07 0.00 -0.60 0.00 0.00 56.93 55.22 2gll s PHE 109 Cb -0.06 -2.10 -0.12 0.00 0.51 0.00 0.00 43.02 41.25 2gll s PHE 109 CO -0.00 -0.57 -0.27 0.54 0.70 0.00 0.00 175.22 175.61 2gll n ARG 110 N 4.78 0.53 -4.63 0.44 1.74 -0.15 -5.00 116.66 114.37 2gll n ARG 110 Ca -0.18 0.19 -0.22 0.00 -0.77 0.00 0.00 57.85 56.87 2gll n ARG 110 Cb 0.50 -1.39 -0.15 0.00 -1.02 0.00 0.00 32.46 30.40 2gll n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2gll s ILE 111 N -2.44 1.10 0.26 0.55 1.01 -1.04 -5.05 121.20 115.59 2gll s ILE 111 Ca -0.32 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.45 2gll s ILE 111 Cb 0.11 -0.93 -0.09 0.00 0.01 0.00 0.00 42.46 41.56 2gll s ILE 111 CO 0.46 0.32 1.28 -2.84 0.00 0.00 0.00 174.94 174.16 2gll s PRO 112 N -0.20 4.41 -0.18 2.79 0.02 -1.26 -4.76 135.00 135.82 2gll s PRO 112 Ca 0.03 2.08 -0.09 0.00 0.02 0.00 0.00 61.00 63.04 2gll s PRO 112 Cb -0.07 -3.15 -0.05 0.00 0.02 0.00 0.00 34.50 31.26 2gll s PRO 112 CO -0.00 -0.17 0.12 0.08 -0.33 0.00 0.00 177.00 176.71 2gll s VAL 113 N -0.52 5.35 0.28 3.83 1.01 -1.26 -5.04 120.40 124.05 2gll s VAL 113 Ca 0.52 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.68 2gll s VAL 113 Cb -0.37 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2gll s VAL 113 CO 0.44 0.49 0.09 0.42 0.00 0.00 0.00 175.10 176.54 2gll s THR 114 N -0.00 0.69 0.28 3.92 -4.23 -1.26 -1.14 115.64 113.91 2gll s THR 114 Ca 0.09 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.31 2gll s THR 114 Cb -0.11 -2.67 -0.14 0.00 1.34 0.00 0.00 72.50 70.92 2gll s THR 114 CO -0.00 0.00 1.12 -2.65 -0.54 0.00 0.00 174.62 172.55 2gll n PRO 115 N -0.52 1.56 0.00 3.99 -0.02 -1.26 -1.79 135.00 136.96 2gll n PRO 115 Ca -0.00 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2gll n PRO 115 Cb 0.66 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 2gll n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gll n GLY 116 N 1.30 2.66 3.84 -1.23 0.00 0.23 -4.92 105.19 107.07 2gll n GLY 116 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2gll n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gll s ASP 117 N -1.31 6.85 -0.51 1.61 -0.00 -0.74 -4.89 116.67 117.68 2gll s ASP 117 Ca 0.00 1.38 -0.13 0.00 -0.00 0.00 0.00 52.55 53.80 2gll s ASP 117 Cb 0.00 -2.41 0.12 0.00 -0.00 0.00 0.00 42.92 40.63 2gll s ASP 117 CO 0.00 -0.20 0.43 -0.60 -0.00 0.00 0.00 175.17 174.80 2gll s ARG 118 N -2.88 2.76 -0.82 8.23 3.52 -1.26 -1.08 118.95 127.43 2gll s ARG 118 Ca 0.54 -1.72 -0.26 0.00 -0.13 0.00 0.00 55.73 54.16 2gll s ARG 118 Cb -0.11 -4.13 0.03 0.00 -1.56 0.00 0.00 34.95 29.19 2gll s ARG 118 CO 0.17 -1.26 1.34 -1.17 -0.81 0.00 0.00 175.30 173.57 2gll s LEU 119 N 1.50 3.26 -0.13 -0.88 2.96 0.06 -4.45 118.68 121.00 2gll s LEU 119 Ca 0.04 -0.73 -0.21 0.00 -0.22 0.00 0.00 54.13 53.01 2gll s LEU 119 Cb -0.28 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.81 2gll s LEU 119 CO 0.01 -1.76 0.61 -0.70 -1.32 0.00 0.00 176.35 173.20 2gll s GLU 120 N 5.54 4.33 -0.19 1.98 2.12 -0.19 -0.61 118.70 131.68 2gll s GLU 120 Ca 0.39 0.66 -0.09 0.00 0.36 0.00 0.00 54.97 56.29 2gll s GLU 120 Cb -0.06 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.80 2gll s GLU 120 CO 0.08 -0.00 0.10 0.71 -0.54 0.00 0.00 175.26 175.60 2gll s TYR 121 N 1.10 3.34 -0.28 5.30 1.51 0.49 0.31 117.35 129.13 2gll s TYR 121 Ca 0.31 0.22 0.02 0.00 -1.01 0.00 0.00 57.07 56.61 2gll s TYR 121 Cb -0.16 -2.11 0.08 0.00 -0.11 0.00 0.00 41.96 39.65 2gll s TYR 121 CO 0.13 0.25 -0.01 -1.01 -1.11 0.00 0.00 175.55 173.80 2gll s HIS 122 N 0.31 2.79 0.01 2.71 3.76 0.44 -1.29 115.29 124.02 2gll s HIS 122 Ca 0.06 -2.18 0.08 0.00 -0.15 0.00 0.00 55.06 52.87 2gll s HIS 122 Cb -0.12 -2.02 -0.02 0.00 1.11 0.00 0.00 32.58 31.53 2gll s HIS 122 CO -0.01 -0.85 -0.24 -0.51 -0.85 0.00 0.00 174.74 172.28 2gll s LEU 123 N 1.25 2.11 0.11 0.89 2.01 -0.66 -0.80 118.68 123.59 2gll s LEU 123 Ca 0.01 -0.50 0.06 0.00 0.01 0.00 0.00 54.13 53.71 2gll s LEU 123 Cb -0.19 -1.19 -0.04 0.00 0.01 0.00 0.00 46.19 44.79 2gll s LEU 123 CO -0.10 0.25 -0.14 -1.83 1.01 0.00 0.00 176.35 175.54 2gll s GLU 124 N -0.90 0.99 -0.37 1.70 -1.05 0.44 -0.38 118.70 119.13 2gll s GLU 124 Ca 0.10 -1.18 -0.28 0.00 -0.15 0.00 0.00 54.97 53.45 2gll s GLU 124 Cb -0.09 -0.92 0.02 0.00 -0.44 0.00 0.00 34.13 32.70 2gll s GLU 124 CO 0.01 0.18 1.04 0.08 0.95 0.00 0.00 175.26 177.52 2gll s VAL 125 N -1.93 4.46 -0.00 1.83 1.01 0.16 -1.32 120.40 124.61 2gll s VAL 125 Ca 0.07 1.42 -0.20 0.00 0.00 0.00 0.00 61.98 63.27 2gll s VAL 125 Cb -0.06 -4.43 -0.23 0.00 0.00 0.00 0.00 36.38 31.65 2gll s VAL 125 CO 0.03 -0.63 1.09 -0.07 0.00 0.00 0.00 175.10 175.52 2gll h LEU 126 N 10.35 0.49 -7.00 3.92 3.38 -0.85 -3.48 115.31 122.12 2gll h LEU 126 Ca -0.22 -0.76 0.08 0.00 0.09 0.00 0.00 57.88 57.07 2gll h LEU 126 Cb 1.07 -0.15 -0.22 0.00 0.09 0.00 0.00 40.66 41.44 2gll h LEU 126 CO 1.04 1.19 0.54 -1.59 0.09 0.00 0.00 178.44 179.71 2gll s LYS 127 N -3.19 0.61 -0.17 1.13 -2.85 -1.12 -5.03 119.74 109.12 2gll s LYS 127 Ca -0.14 0.12 -0.14 0.00 -1.00 0.00 0.00 55.97 54.82 2gll s LYS 127 Cb 0.03 0.29 0.05 0.00 -2.06 0.00 0.00 37.83 36.14 2gll s LYS 127 CO 0.81 -0.20 0.44 -3.38 0.10 0.00 0.00 175.35 173.12 2gll s HIS 128 N -1.24 -0.53 -0.07 1.78 -3.43 -1.26 -0.84 115.29 109.71 2gll s HIS 128 Ca -0.01 1.22 -0.03 0.00 -0.80 0.00 0.00 55.06 55.44 2gll s HIS 128 Cb -0.00 0.20 0.04 0.00 -1.43 0.00 0.00 32.58 31.39 2gll s HIS 128 CO 0.01 -0.27 0.12 0.21 -2.00 0.00 0.00 174.74 172.81 2gll s LYS 129 N 0.58 -0.01 7.72 -0.38 2.20 -0.50 -5.03 119.74 124.33 2gll s LYS 129 Ca -0.03 0.46 0.00 0.00 -0.36 0.00 0.00 55.97 56.04 2gll s LYS 129 Cb -0.05 -0.44 0.00 0.00 -1.51 0.00 0.00 37.83 35.84 2gll s LYS 129 CO -0.03 -0.34 0.00 0.41 -0.36 0.00 0.00 175.35 175.03 2gll n GLY 130 N 5.31 3.18 0.58 5.54 0.00 -1.26 -1.65 105.19 116.89 2gll n GLY 130 Ca -0.04 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.94 2gll n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2gll n MET 131 N 13.71 1.79 -3.18 1.61 2.81 -1.26 -4.84 117.12 127.77 2gll n MET 131 Ca 0.00 -1.16 -0.40 0.00 -1.81 0.00 0.00 57.70 54.33 2gll n MET 131 Cb 0.00 -1.47 -0.07 0.00 -0.71 0.00 0.00 33.22 30.97 2gll n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2gll s ILE 132 N -1.98 5.03 -0.08 2.02 -1.09 -0.66 -1.41 121.20 123.04 2gll s ILE 132 Ca 0.36 1.01 0.02 0.00 -2.23 0.00 0.00 60.65 59.81 2gll s ILE 132 Cb 0.21 -3.88 0.01 0.00 -1.58 0.00 0.00 42.46 37.22 2gll s ILE 132 CO 0.32 0.07 -0.14 0.26 -1.23 0.00 0.00 174.94 174.22 2gll s TRP 133 N 2.34 1.67 -0.22 3.97 0.52 0.44 -1.41 118.94 126.24 2gll s TRP 133 Ca 0.24 -0.67 -0.04 0.00 0.02 0.00 0.00 56.10 55.65 2gll s TRP 133 Cb -0.16 -1.21 -0.01 0.00 -1.15 0.00 0.00 33.47 30.95 2gll s TRP 133 CO 0.09 -0.34 -0.04 -0.65 0.02 0.00 0.00 176.95 176.03 2gll s GLN 134 N 0.74 3.35 0.24 4.98 -0.21 -0.02 -0.20 119.66 128.54 2gll s GLN 134 Ca -0.13 -0.64 0.11 0.00 0.02 0.00 0.00 55.36 54.72 2gll s GLN 134 Cb -0.16 -3.03 -0.05 0.00 1.00 0.00 0.00 33.01 30.78 2gll s GLN 134 CO 0.03 -0.21 -0.14 0.14 -2.12 0.00 0.00 175.29 172.98 2gll s VAL 135 N 1.48 2.82 0.16 1.09 -7.23 0.09 -0.12 120.40 118.69 2gll s VAL 135 Ca 0.06 -2.06 -0.17 0.00 -1.81 0.00 0.00 61.98 58.00 2gll s VAL 135 Cb -0.14 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.38 2gll s VAL 135 CO -0.03 -0.27 0.46 -0.83 -0.31 0.00 0.00 175.10 174.12 2gll s GLY 136 N -3.23 -0.22 0.00 2.32 0.00 -0.44 -0.35 107.32 105.41 2gll s GLY 136 Ca 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.91 2gll s GLY 136 CO 0.15 -0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.60 2gll n GLY 137 N -0.28 -0.41 3.28 0.20 0.00 -0.70 -0.42 105.19 106.85 2gll n GLY 137 Ca -0.14 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 2gll n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gll s THR 138 N -4.00 0.12 -0.06 2.61 -4.23 0.02 -2.15 115.64 107.95 2gll s THR 138 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 2gll s THR 138 Cb 0.00 -2.50 -0.00 0.00 1.34 0.00 0.00 72.50 71.33 2gll s THR 138 CO 0.00 0.00 -0.21 0.00 -0.54 0.00 0.00 174.62 173.87 2gll s ALA 139 N -3.74 1.90 0.07 3.99 0.00 -0.26 -0.42 121.76 123.29 2gll s ALA 139 Ca 0.38 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.50 2gll s ALA 139 Cb 0.05 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 2gll s ALA 139 CO 0.19 0.32 -0.10 -0.65 0.00 0.00 0.00 175.76 175.52 2gll s GLN 140 N 0.08 0.70 -0.14 0.00 -0.21 0.15 -0.70 119.66 119.53 2gll s GLN 140 Ca -0.08 -0.95 -0.02 0.00 0.02 0.00 0.00 55.36 54.33 2gll s GLN 140 Cb -0.14 -0.46 0.04 0.00 1.00 0.00 0.00 33.01 33.45 2gll s GLN 140 CO 0.04 0.08 -0.00 0.08 -2.12 0.00 0.00 175.29 173.37 2gll s VAL 141 N -1.83 0.65 -1.36 1.09 1.01 -0.75 -1.02 120.40 118.19 2gll s VAL 141 Ca -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 2gll s VAL 141 Cb -0.07 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.40 2gll s VAL 141 CO 0.00 0.06 0.72 0.47 0.00 0.00 0.00 175.10 176.36 2gll n ASP 142 N 5.03 -1.70 0.00 3.32 8.00 -1.26 -2.50 116.55 127.44 2gll n ASP 142 Ca -0.09 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.58 2gll n ASP 142 Cb 0.48 -3.92 0.00 0.00 -0.02 0.00 0.00 41.12 37.66 2gll n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gll n GLY 143 N -1.64 2.84 3.87 0.44 0.00 -1.26 -5.02 105.19 104.42 2gll n GLY 143 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 2gll n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gll s LYS 144 N -0.08 3.34 -0.33 1.61 3.01 -1.04 -5.06 119.74 121.18 2gll s LYS 144 Ca 0.00 -0.36 -0.29 0.00 -1.01 0.00 0.00 55.97 54.31 2gll s LYS 144 Cb 0.00 -3.03 0.01 0.00 -1.01 0.00 0.00 37.83 33.79 2gll s LYS 144 CO 0.00 0.67 1.27 0.08 0.51 0.00 0.00 175.35 177.88 2gll s VAL 145 N -1.28 4.16 -0.11 3.17 1.01 -1.26 -1.82 120.40 124.28 2gll s VAL 145 Ca 0.26 1.29 0.22 0.00 0.00 0.00 0.00 61.98 63.75 2gll s VAL 145 Cb -0.12 -4.24 -0.22 0.00 0.00 0.00 0.00 36.38 31.80 2gll s VAL 145 CO 0.17 -0.56 0.68 1.33 0.00 0.00 0.00 175.10 176.73 2gll n VAL 146 N 6.33 0.22 -3.62 2.92 0.24 0.13 -4.50 118.33 120.04 2gll n VAL 146 Ca 0.14 -0.51 -0.09 0.00 -2.04 0.00 0.00 64.34 61.84 2gll n VAL 146 Cb 0.47 -0.12 -0.02 0.00 -1.47 0.00 0.00 33.84 32.70 2gll n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gll s ALA 147 N -3.46 -1.49 0.07 2.33 0.00 -1.09 -0.98 121.76 117.14 2gll s ALA 147 Ca -0.05 0.21 -0.15 0.00 0.00 0.00 0.00 51.96 51.97 2gll s ALA 147 Cb 0.12 0.81 0.02 0.00 0.00 0.00 0.00 23.12 24.07 2gll s ALA 147 CO 0.87 -0.89 0.33 -1.83 0.00 0.00 0.00 175.76 174.24 2gll s GLU 148 N -3.71 0.89 -0.16 0.00 -1.05 -0.70 -1.10 118.70 112.87 2gll s GLU 148 Ca 0.06 -0.57 -0.34 0.00 -0.15 0.00 0.00 54.97 53.96 2gll s GLU 148 Cb -0.03 0.39 0.14 0.00 -0.44 0.00 0.00 34.13 34.19 2gll s GLU 148 CO -0.04 -0.31 1.28 0.00 0.95 0.00 0.00 175.26 177.14 2gll s ALA 149 N -2.96 -2.17 -0.00 -0.84 0.00 -0.91 -1.69 121.76 113.18 2gll s ALA 149 Ca -0.02 1.39 0.05 0.00 0.00 0.00 0.00 51.96 53.38 2gll s ALA 149 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 2gll s ALA 149 CO -0.06 -0.73 -0.15 -1.21 0.00 0.00 0.00 175.76 173.61 2gll s GLU 150 N -2.32 1.15 0.03 0.00 2.02 -0.23 -1.72 118.70 117.63 2gll s GLU 150 Ca 0.11 -0.56 -0.01 0.00 0.02 0.00 0.00 54.97 54.53 2gll s GLU 150 Cb 0.01 -1.12 -0.03 0.00 0.10 0.00 0.00 34.13 33.10 2gll s GLU 150 CO -0.04 0.30 -0.01 -0.51 0.02 0.00 0.00 175.26 175.03 2gll s LEU 151 N -0.47 2.25 -0.07 1.80 1.02 0.52 -0.88 118.68 122.85 2gll s LEU 151 Ca 0.05 -0.68 0.02 0.00 0.02 0.00 0.00 54.13 53.54 2gll s LEU 151 Cb -0.06 0.23 0.01 0.00 0.02 0.00 0.00 46.19 46.39 2gll s LEU 151 CO -0.00 -0.44 -0.13 -0.75 0.02 0.00 0.00 176.35 175.04 2gll s LYS 152 N -2.54 1.80 0.19 1.70 2.20 -0.67 -0.73 119.74 121.68 2gll s LYS 152 Ca -0.06 -0.44 0.09 0.00 -0.36 0.00 0.00 55.97 55.20 2gll s LYS 152 Cb -0.02 -1.49 -0.04 0.00 -1.51 0.00 0.00 37.83 34.76 2gll s LYS 152 CO -0.05 0.02 -0.18 0.00 -0.36 0.00 0.00 175.35 174.78 2gll s ALA 153 N 0.71 2.11 -0.09 3.13 0.00 0.71 -0.74 121.76 127.61 2gll s ALA 153 Ca -0.13 -1.59 0.02 0.00 0.00 0.00 0.00 51.96 50.26 2gll s ALA 153 Cb -0.16 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.80 2gll s ALA 153 CO 0.03 0.20 -0.16 1.41 0.00 0.00 0.00 175.76 177.24 2gll s MET 154 N -3.11 2.20 -0.13 0.00 1.75 0.17 -0.42 119.30 119.76 2gll s MET 154 Ca 0.19 -0.57 -0.11 0.00 -1.25 0.00 0.00 55.69 53.95 2gll s MET 154 Cb -0.04 -1.78 -0.05 0.00 2.84 0.00 0.00 34.83 35.80 2gll s MET 154 CO 0.08 0.03 0.22 0.42 -0.65 0.00 0.00 175.02 175.12 2gll s ILE 155 N 0.70 5.35 0.28 10.11 1.01 -0.50 0.16 121.20 138.31 2gll s ILE 155 Ca -0.13 0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.86 2gll s ILE 155 Cb -0.16 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 2gll s ILE 155 CO 0.03 0.51 0.40 0.00 0.00 0.00 0.00 174.94 175.89 2gll s ALA 156 N -0.34 0.51 0.08 9.38 0.00 0.33 -4.80 121.76 126.91 2gll s ALA 156 Ca 0.15 -1.34 -0.30 0.00 0.00 0.00 0.00 51.96 50.48 2gll s ALA 156 Cb -0.13 1.18 -0.06 0.00 0.00 0.00 0.00 23.12 24.11 2gll s ALA 156 CO 0.04 -0.77 1.12 -1.21 0.00 0.00 0.00 175.76 174.94 2gll s GLU 157 N -3.62 4.51 1.25 0.00 0.41 -1.26 0.23 118.70 120.22 2gll s GLU 157 Ca 0.29 1.66 -0.16 0.00 -0.41 0.00 0.00 54.97 56.36 2gll s GLU 157 Cb 0.01 -3.36 0.30 0.00 -1.78 0.00 0.00 34.13 29.30 2gll s GLU 157 CO 0.15 -0.11 0.84 -2.13 -0.49 0.00 0.00 175.26 173.52 2gll n ARG 158 N 3.49 -3.05 0.00 1.61 3.00 -0.20 -4.73 116.66 116.78 2gll n ARG 158 Ca 0.06 -0.88 0.00 0.00 -0.00 0.00 0.00 57.85 57.04 2gll n ARG 158 Cb 0.47 -2.03 0.00 0.00 0.00 0.00 0.00 32.46 30.90 2gll n ARG 158 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78