#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 2.60 0.78 1.08 0.40 -0.84 -5.00 117.98 117.00 2gll s PHE 12 Ca 0.00 -1.59 -0.04 0.00 -0.60 0.00 0.00 56.93 54.70 2gll s PHE 12 Cb 0.00 -1.79 0.15 0.00 0.51 0.00 0.00 43.02 41.90 2gll s PHE 12 CO 0.00 -0.77 1.08 -0.06 0.70 0.00 0.00 175.22 176.17 2gll s PHE 13 N 1.34 1.42 0.32 0.36 0.40 -1.26 -0.52 117.98 120.04 2gll s PHE 13 Ca 0.03 -0.21 0.07 0.00 -0.60 0.00 0.00 56.93 56.21 2gll s PHE 13 Cb -0.14 -3.23 0.75 0.00 0.51 0.00 0.00 43.02 40.91 2gll s PHE 13 CO -0.11 -1.98 1.82 0.97 0.70 0.00 0.00 175.22 176.62 2gll h ILE 14 N -0.80 0.78 -0.43 0.64 6.09 -1.90 -0.65 117.51 121.25 2gll h ILE 14 Ca -0.37 -0.27 0.07 0.00 -1.37 0.00 0.00 64.86 62.92 2gll h ILE 14 Cb 1.26 -0.06 -0.06 0.00 0.47 0.00 0.00 36.82 38.43 2gll h ILE 14 CO 0.38 0.14 0.07 -0.33 -3.07 0.00 0.00 178.15 175.34 2gll h GLU 15 N 0.77 0.19 0.08 2.19 5.08 -1.93 0.05 114.58 121.01 2gll h GLU 15 Ca 0.52 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.87 2gll h GLU 15 Cb 0.79 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2gll h GLU 15 CO -0.29 0.13 -0.04 0.45 -1.00 0.00 0.00 179.01 178.26 2gll h HIS 16 N 0.20 -0.10 -0.76 4.33 3.86 -1.53 -3.01 115.15 118.14 2gll h HIS 16 Ca 0.21 -0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.59 2gll h HIS 16 Cb 0.27 0.03 -0.12 0.00 1.06 0.00 0.00 27.41 28.65 2gll h HIS 16 CO -0.22 0.15 0.16 0.82 0.86 0.00 0.00 177.93 179.70 2gll h ILE 17 N -0.33 0.46 0.00 2.45 2.04 -0.69 0.24 117.51 121.68 2gll h ILE 17 Ca -0.01 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2gll h ILE 17 Cb 0.29 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2gll h ILE 17 CO 0.02 0.04 -0.06 -0.07 0.00 0.00 0.00 178.15 178.08 2gll h LEU 18 N 0.24 0.00 0.00 1.44 3.38 -0.88 -0.17 115.31 119.32 2gll h LEU 18 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2gll h LEU 18 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2gll h LEU 18 CO -0.55 0.06 -0.17 0.00 0.09 0.00 0.00 178.44 177.87 2gll n GLN 19 N -3.79 0.25 -0.08 1.13 6.02 0.81 -4.35 117.38 117.37 2gll n GLN 19 Ca -0.02 0.16 -0.16 0.00 -0.01 0.00 0.00 57.00 56.97 2gll n GLN 19 Cb 0.16 -1.75 -0.05 0.00 1.02 0.00 0.00 30.24 29.62 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 -2.16 0.86 -3.02 5.09 2.08 -0.65 -4.44 119.36 117.12 2gll n ILE 20 Ca 0.05 -0.20 -0.39 0.00 0.56 0.00 0.00 62.75 62.76 2gll n ILE 20 Cb 0.42 -1.72 -0.06 0.00 -0.75 0.00 0.00 39.64 37.54 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 -6.85 4.53 0.00 1.39 1.43 -0.17 -4.77 118.68 114.24 2gll s LEU 21 Ca -0.21 1.51 0.29 0.00 -1.03 0.00 0.00 54.13 54.68 2gll s LEU 21 Cb 0.08 -3.21 1.18 0.00 0.03 0.00 0.00 46.19 44.27 2gll s LEU 21 CO 0.27 0.14 1.87 -0.81 0.23 0.00 0.00 176.35 178.05 2gll n PRO 22 N 2.10 0.13 -1.94 1.29 -0.04 -1.26 -4.66 135.00 130.61 2gll n PRO 22 Ca -0.05 -0.02 -0.41 0.00 -0.04 0.00 0.00 63.50 62.98 2gll n PRO 22 Cb 0.50 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 2gll n PRO 22 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2gll s HIS 23 N -2.89 2.77 0.30 0.54 3.76 -1.26 -5.03 115.29 113.49 2gll s HIS 23 Ca 0.17 1.29 0.03 0.00 -0.15 0.00 0.00 55.06 56.39 2gll s HIS 23 Cb 0.19 -3.86 -0.04 0.00 1.11 0.00 0.00 32.58 29.97 2gll s HIS 23 CO 0.54 -2.49 0.12 1.03 -0.85 0.00 0.00 174.74 173.09 2gll s ARG 24 N -2.01 1.57 0.35 1.40 1.81 -1.26 -4.66 118.95 116.15 2gll s ARG 24 Ca 0.52 -1.88 -0.28 0.00 -1.72 0.00 0.00 55.73 52.36 2gll s ARG 24 Cb -0.43 -0.31 -0.12 0.00 -0.45 0.00 0.00 34.95 33.64 2gll s ARG 24 CO 0.58 -0.36 1.39 0.98 -0.68 0.00 0.00 175.30 177.20 2gll n TYR 25 N -0.59 2.61 -1.15 -0.53 4.19 -1.26 0.10 117.16 120.53 2gll n TYR 25 Ca -0.01 0.49 -0.28 0.00 3.31 0.00 0.00 57.90 61.42 2gll n TYR 25 Cb 0.66 -2.47 0.10 0.00 0.49 0.00 0.00 39.34 38.11 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 0.61 2.37 -0.01 2.98 -0.04 -1.26 -4.91 135.00 134.73 2gll n PRO 26 Ca 0.04 -2.82 0.01 0.00 -0.04 0.00 0.00 63.50 60.68 2gll n PRO 26 Cb 0.37 -2.11 0.01 0.00 -0.04 0.00 0.00 33.50 31.74 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 -0.73 1.81 -3.03 0.54 2.81 0.11 -4.93 117.12 113.71 2gll n MET 27 Ca 0.55 -1.26 -0.43 0.00 -1.81 0.00 0.00 57.70 54.75 2gll n MET 27 Cb 0.92 -1.03 -0.06 0.00 -0.71 0.00 0.00 33.22 32.35 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 -0.72 4.57 -0.35 4.03 2.96 -1.05 -4.72 118.68 123.40 2gll s LEU 28 Ca 0.02 -0.61 0.07 0.00 -0.22 0.00 0.00 54.13 53.39 2gll s LEU 28 Cb 0.01 -2.64 0.54 0.00 0.50 0.00 0.00 46.19 44.60 2gll s LEU 28 CO 0.02 -1.00 1.58 0.18 -1.32 0.00 0.00 176.35 175.81 2gll n LEU 29 N 6.67 4.92 -3.85 -0.68 4.77 -1.26 -4.90 117.00 122.66 2gll n LEU 29 Ca -0.03 -3.83 -0.21 0.00 -0.03 0.00 0.00 56.01 51.91 2gll n LEU 29 Cb 0.47 -0.69 -0.17 0.00 -2.33 0.00 0.00 43.42 40.70 2gll n LEU 29 CO 0.58 1.28 -0.40 -0.69 -1.33 0.00 0.00 177.39 176.83 2gll s VAL 30 N -3.41 0.51 -0.16 4.08 1.01 -1.26 -4.62 120.40 116.55 2gll s VAL 30 Ca 0.49 -0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.52 2gll s VAL 30 Cb 0.43 -0.58 -0.23 0.00 0.00 0.00 0.00 36.38 35.99 2gll s VAL 30 CO 0.02 0.25 0.19 0.47 0.00 0.00 0.00 175.10 176.03 2gll n ASP 31 N 4.48 0.87 -3.61 3.32 10.43 -0.25 -4.95 116.55 126.84 2gll n ASP 31 Ca -0.18 0.10 -0.16 0.00 2.57 0.00 0.00 54.79 57.12 2gll n ASP 31 Cb 0.50 0.23 -0.07 0.00 1.84 0.00 0.00 41.12 43.62 2gll n ASP 31 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 2gll s ARG 32 N -2.53 0.89 -0.27 -1.24 3.52 -0.97 -2.92 118.95 115.43 2gll s ARG 32 Ca -0.15 0.19 -0.06 0.00 -0.13 0.00 0.00 55.73 55.58 2gll s ARG 32 Cb 0.07 0.42 0.00 0.00 -1.56 0.00 0.00 34.95 33.88 2gll s ARG 32 CO 0.78 -0.25 0.04 0.42 -0.81 0.00 0.00 175.30 175.48 2gll s ILE 33 N -1.05 3.80 -0.10 4.11 -1.09 0.32 -1.31 121.20 125.88 2gll s ILE 33 Ca -0.10 -0.63 0.03 0.00 -2.23 0.00 0.00 60.65 57.72 2gll s ILE 33 Cb -0.02 -2.90 -0.24 0.00 -1.58 0.00 0.00 42.46 37.72 2gll s ILE 33 CO 0.07 0.18 0.44 0.35 -1.23 0.00 0.00 174.94 174.75 2gll n THR 34 N 4.84 1.67 -4.13 2.92 -2.24 -0.03 -1.99 114.28 115.32 2gll n THR 34 Ca -0.15 -0.72 -0.15 0.00 -2.27 0.00 0.00 64.05 60.75 2gll n THR 34 Cb 0.49 -1.34 -0.14 0.00 -2.10 0.00 0.00 70.33 67.24 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 -2.57 0.43 -0.13 -0.78 2.02 -0.30 -4.77 118.70 112.61 2gll s GLU 35 Ca -0.15 -0.32 -0.10 0.00 0.02 0.00 0.00 54.97 54.43 2gll s GLU 35 Cb 0.07 -0.37 0.04 0.00 0.10 0.00 0.00 34.13 33.98 2gll s GLU 35 CO 0.79 0.09 0.33 -1.17 0.02 0.00 0.00 175.26 175.32 2gll s LEU 36 N -0.47 0.50 -0.28 1.80 2.96 -1.26 -1.21 118.68 120.73 2gll s LEU 36 Ca -0.01 0.69 -0.02 0.00 -0.22 0.00 0.00 54.13 54.58 2gll s LEU 36 Cb -0.04 1.11 0.12 0.00 0.50 0.00 0.00 46.19 47.89 2gll s LEU 36 CO -0.00 -0.14 0.26 -1.10 -1.32 0.00 0.00 176.35 174.05 2gll s GLN 37 N 0.62 0.28 0.11 1.98 -0.21 -0.49 -5.00 119.66 116.95 2gll s GLN 37 Ca -0.04 -0.17 -0.34 0.00 0.02 0.00 0.00 55.36 54.84 2gll s GLN 37 Cb -0.05 -0.81 -0.18 0.00 1.00 0.00 0.00 33.01 32.97 2gll s GLN 37 CO -0.04 -0.98 0.84 0.00 -2.12 0.00 0.00 175.29 172.99 2gll n ALA 38 N 5.30 -2.99 -1.11 6.09 0.00 -1.26 -0.24 120.51 126.30 2gll n ALA 38 Ca -0.03 0.51 -0.07 0.00 0.00 0.00 0.00 53.44 53.85 2gll n ALA 38 Cb 0.46 -1.72 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 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 1.77 -4.96 0.00 0.00 5.03 -1.26 -4.74 115.26 111.10 2gll n ASN 39 Ca 0.19 0.17 0.00 0.00 0.87 0.00 0.00 54.58 55.81 2gll n ASN 39 Cb 0.17 -3.51 0.00 0.00 -1.02 0.00 0.00 39.78 35.42 2gll n ASN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2gll n GLN 40 N -0.31 0.00 -3.97 3.52 6.02 0.67 -4.74 117.38 118.56 2gll n GLN 40 Ca -0.07 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.83 2gll n GLN 40 Cb 0.49 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.70 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 -0.37 1.54 -0.06 -1.09 -2.85 -0.95 -0.71 119.74 115.25 2gll s LYS 41 Ca 0.00 -1.20 -0.15 0.00 -1.00 0.00 0.00 55.97 53.62 2gll s LYS 41 Cb 0.00 0.48 0.03 0.00 -2.06 0.00 0.00 37.83 36.28 2gll s LYS 41 CO 0.00 -0.65 0.35 -1.50 0.10 0.00 0.00 175.35 173.66 2gll s ILE 42 N -4.00 0.03 -0.08 3.79 2.07 0.76 -1.39 121.20 122.38 2gll s ILE 42 Ca 0.20 -0.27 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 2gll s ILE 42 Cb -0.01 -0.60 0.02 0.00 0.13 0.00 0.00 42.46 42.00 2gll s ILE 42 CO 0.08 -0.15 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.21 2gll s VAL 43 N -0.75 0.78 0.28 4.00 1.01 -0.35 -1.37 120.40 124.01 2gll s VAL 43 Ca -0.08 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2gll s VAL 43 Cb -0.04 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 2gll s VAL 43 CO 0.03 0.31 0.34 0.00 0.00 0.00 0.00 175.10 175.78 2gll n ALA 44 N 4.59 0.02 -3.52 5.51 0.00 -0.44 -0.85 120.51 125.82 2gll n ALA 44 Ca -0.16 -1.39 -0.10 0.00 0.00 0.00 0.00 53.44 51.78 2gll n ALA 44 Cb 0.50 1.13 -0.02 0.00 0.00 0.00 0.00 19.45 21.06 2gll n ALA 44 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2gll s TYR 45 N -3.24 -0.40 -0.02 0.00 1.13 -0.43 0.97 117.35 115.36 2gll s TYR 45 Ca 0.26 0.11 0.01 0.00 -1.41 0.00 0.00 57.07 56.04 2gll s TYR 45 Cb 0.00 0.58 0.02 0.00 -1.10 0.00 0.00 41.96 41.45 2gll s TYR 45 CO 0.19 -0.96 -0.02 0.21 -2.51 0.00 0.00 175.55 172.46 2gll s LYS 46 N -3.81 0.44 0.30 -3.49 2.20 -0.44 -1.09 119.74 113.85 2gll s LYS 46 Ca 0.04 -0.04 -0.24 0.00 -0.36 0.00 0.00 55.97 55.37 2gll s LYS 46 Cb -0.02 -0.51 -0.09 0.00 -1.51 0.00 0.00 37.83 35.69 2gll s LYS 46 CO -0.07 -0.05 0.88 -0.80 -0.36 0.00 0.00 175.35 174.96 2gll s ASN 47 N 0.62 7.24 -0.19 1.43 0.01 -1.26 -0.96 114.94 121.83 2gll s ASN 47 Ca -0.07 1.71 -0.03 0.00 -0.71 0.00 0.00 52.86 53.76 2gll s ASN 47 Cb -0.10 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.01 2gll s ASN 47 CO -0.01 -0.05 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.84 2gll s ILE 48 N -1.62 3.45 0.15 0.60 -1.09 -0.25 -4.92 121.20 117.53 2gll s ILE 48 Ca 0.49 -0.48 0.04 0.00 -2.23 0.00 0.00 60.65 58.47 2gll s ILE 48 Cb -0.18 -2.54 -0.04 0.00 -1.58 0.00 0.00 42.46 38.12 2gll s ILE 48 CO 0.22 0.45 -0.09 0.28 -1.23 0.00 0.00 174.94 174.58 2gll s THR 49 N 1.06 1.13 0.35 2.92 -1.32 -1.26 -0.35 115.64 118.16 2gll s THR 49 Ca 0.01 -2.05 0.12 0.00 -1.21 0.00 0.00 61.69 58.55 2gll s THR 49 Cb -0.15 -1.90 0.06 0.00 -1.51 0.00 0.00 72.50 69.01 2gll s THR 49 CO -0.00 -0.71 1.78 0.15 -2.21 0.00 0.00 174.62 173.63 2gll h PHE 50 N 2.75 0.01 0.00 9.09 3.57 -1.96 -3.29 116.94 127.12 2gll h PHE 50 Ca -0.37 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.12 2gll h PHE 50 Cb 1.19 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 2gll h PHE 50 CO 0.64 0.43 0.01 -1.71 -2.23 0.00 0.00 178.31 175.44 2gll n ASN 51 N -4.03 2.71 -4.18 0.41 4.05 -1.26 -4.73 115.26 108.22 2gll n ASN 51 Ca -0.02 -1.75 -0.30 0.00 0.45 0.00 0.00 54.58 52.97 2gll n ASN 51 Cb 0.45 -0.59 -0.17 0.00 1.23 0.00 0.00 39.78 40.71 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 1.10 2.52 0.39 1.20 2.02 -1.24 -5.04 118.70 119.64 2gll s GLU 52 Ca 0.04 -0.76 0.12 0.00 0.02 0.00 0.00 54.97 54.39 2gll s GLU 52 Cb 0.02 -2.00 0.93 0.00 0.10 0.00 0.00 34.13 33.18 2gll s GLU 52 CO 0.00 0.20 1.88 0.22 0.02 0.00 0.00 175.26 177.58 2gll h ASP 53 N 6.56 0.53 -0.52 -0.19 3.58 -1.95 -2.41 116.42 122.03 2gll h ASP 53 Ca -0.26 0.04 0.15 0.00 0.42 0.00 0.00 57.03 57.38 2gll h ASP 53 Cb 1.21 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 42.17 2gll h ASP 53 CO 0.47 0.26 0.41 -0.37 -2.88 0.00 0.00 179.24 177.13 2gll h VAL 54 N 0.56 0.63 0.00 2.25 -1.51 -1.96 -1.63 116.25 114.59 2gll h VAL 54 Ca 0.43 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.90 2gll h VAL 54 Cb 0.83 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 2gll h VAL 54 CO -0.18 0.00 0.00 -0.26 -1.23 0.00 0.00 177.57 175.90 2gll h PHE 55 N 0.00 0.00 -0.21 5.19 -1.00 -1.70 -2.57 116.94 116.64 2gll h PHE 55 Ca 0.25 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.02 2gll h PHE 55 Cb 1.06 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.60 2gll h PHE 55 CO 0.00 0.00 0.09 -0.91 -1.61 0.00 0.00 178.31 175.88 2gll h ASN 56 N 0.00 0.26 -0.09 2.17 2.35 -1.48 -3.07 115.58 115.72 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 0.51 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.81 2gll h ASN 56 CO 0.00 0.23 0.00 0.61 -1.65 0.00 0.00 177.43 176.62 2gll n GLY 57 N -1.37 1.71 2.43 2.83 0.00 -1.09 -4.14 105.19 105.55 2gll n GLY 57 Ca 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.04 -1.50 -4.28 1.61 -0.00 -0.99 -4.55 115.22 105.47 2gll n HIS 58 Ca 0.03 -2.90 -0.19 0.00 -0.00 0.00 0.00 57.72 54.66 2gll n HIS 58 Cb 0.25 0.41 -0.11 0.00 -0.00 0.00 0.00 29.99 30.54 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 -0.14 1.57 0.21 1.57 0.40 0.22 -1.62 117.98 120.19 2gll s PHE 59 Ca 0.33 -0.53 -0.32 0.00 -0.60 0.00 0.00 56.93 55.81 2gll s PHE 59 Cb 0.10 -0.80 -0.14 0.00 0.51 0.00 0.00 43.02 42.69 2gll s PHE 59 CO -0.15 0.22 1.41 -0.35 0.70 0.00 0.00 175.22 177.05 2gll n PRO 60 N 0.42 1.91 -0.60 0.24 -0.04 -1.26 -0.43 135.00 135.24 2gll n PRO 60 Ca -0.14 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 2gll n PRO 60 Cb 0.57 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 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 2.43 0.00 -3.10 3.54 4.13 -1.26 -4.85 115.26 116.15 2gll n ASN 61 Ca 0.13 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.23 2gll n ASN 61 Cb 0.29 -1.00 -0.05 0.00 -1.54 0.00 0.00 39.78 37.48 2gll n ASN 61 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2gll n LYS 62 N -2.00 0.38 -2.04 3.52 3.00 0.43 -5.12 118.16 116.33 2gll n LYS 62 Ca 0.00 -2.65 -0.42 0.00 -0.00 0.00 0.00 58.31 55.23 2gll n LYS 62 Cb 0.00 -1.56 -0.03 0.00 0.00 0.00 0.00 35.03 33.45 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 0.35 4.05 -0.07 1.64 0.04 -1.21 -0.61 135.00 139.20 2gll s PRO 63 Ca 0.32 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.37 2gll s PRO 63 Cb 0.04 -4.00 0.03 0.00 0.04 0.00 0.00 34.50 30.61 2gll s PRO 63 CO -0.14 -0.99 -0.00 0.42 0.04 0.00 0.00 177.00 176.33 2gll s ILE 64 N 4.43 0.37 0.06 0.56 1.01 -0.64 -4.60 121.20 122.39 2gll s ILE 64 Ca 0.73 0.11 -0.31 0.00 0.00 0.00 0.00 60.65 61.18 2gll s ILE 64 Cb -0.31 -0.52 -0.08 0.00 0.01 0.00 0.00 42.46 41.57 2gll s ILE 64 CO 0.29 0.25 1.64 0.12 0.00 0.00 0.00 174.94 177.24 2gll s PHE 65 N 1.87 2.42 0.10 3.97 5.36 -0.07 -4.59 117.98 127.04 2gll s PHE 65 Ca 0.03 0.33 -0.35 0.00 -0.96 0.00 0.00 56.93 55.99 2gll s PHE 65 Cb -0.12 -3.95 -0.15 0.00 -0.34 0.00 0.00 43.02 38.46 2gll s PHE 65 CO -0.05 -3.80 1.52 -2.30 -1.46 0.00 0.00 175.22 169.13 2gll n PRO 66 N 5.67 1.77 -0.19 10.12 -0.02 -1.26 -4.61 135.00 146.48 2gll n PRO 66 Ca 0.16 0.64 0.08 0.00 -2.02 0.00 0.00 63.50 62.35 2gll n PRO 66 Cb 0.41 -2.37 0.37 0.00 -0.02 0.00 0.00 33.50 31.89 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 5.72 0.97 2.00 -1.23 0.00 -1.99 -0.25 103.07 108.29 2gll h GLY 67 Ca -0.46 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 46.51 2gll h GLY 67 CO 0.86 0.20 -0.30 -0.39 0.00 0.00 0.00 176.54 176.91 2gll h VAL 68 N 0.73 1.04 0.00 4.60 -1.51 -2.00 -2.09 116.25 117.02 2gll h VAL 68 Ca 0.33 -1.09 -0.09 0.00 -1.23 0.00 0.00 66.70 64.62 2gll h VAL 68 Cb 0.35 1.61 -0.01 0.00 -2.13 0.00 0.00 31.29 31.11 2gll h VAL 68 CO -0.12 0.29 -0.44 -0.07 -1.23 0.00 0.00 177.57 176.01 2gll h LEU 69 N 0.00 0.00 -0.27 4.19 3.38 -1.43 -0.35 115.31 120.83 2gll h LEU 69 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2gll h LEU 69 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2gll h LEU 69 CO 0.04 0.44 -0.09 0.40 0.09 0.00 0.00 178.44 179.32 2gll h ILE 70 N 0.00 1.29 -0.59 1.22 2.04 -0.82 -0.38 117.51 120.27 2gll h ILE 70 Ca -0.00 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 64.69 2gll h ILE 70 Cb 1.27 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.80 2gll h ILE 70 CO 0.06 0.36 0.30 0.58 0.00 0.00 0.00 178.15 179.45 2gll h VAL 71 N 0.28 1.20 -0.91 1.67 2.07 -1.20 -1.83 116.25 117.53 2gll h VAL 71 Ca 0.06 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.06 2gll h VAL 71 Cb 0.58 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 2gll h VAL 71 CO 0.03 0.23 0.60 -0.08 0.02 0.00 0.00 177.57 178.37 2gll h GLU 72 N 0.80 1.12 -0.02 1.57 4.57 -0.86 -0.22 114.58 121.55 2gll h GLU 72 Ca 0.20 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.26 2gll h GLU 72 Cb 0.09 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 2gll h GLU 72 CO -0.03 0.74 -0.26 0.78 -1.18 0.00 0.00 179.01 179.07 2gll h GLY 73 N 1.15 0.03 1.68 1.92 0.00 -0.29 0.11 103.07 107.67 2gll h GLY 73 Ca 0.36 -0.02 -0.25 0.00 0.00 0.00 0.00 47.33 47.42 2gll h GLY 73 CO -0.11 0.02 -1.14 -0.33 0.00 0.00 0.00 176.54 174.98 2gll h MET 74 N 0.03 0.25 -0.62 4.80 2.86 -0.43 -2.02 114.93 119.80 2gll h MET 74 Ca 0.00 -0.38 -0.08 0.00 -2.06 0.00 0.00 59.70 57.18 2gll h MET 74 Cb 0.47 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 2gll h MET 74 CO 0.03 1.15 0.06 0.00 1.06 0.00 0.00 176.91 179.22 2gll h ALA 75 N 0.69 0.82 -0.31 6.32 0.00 -0.61 -0.89 119.26 125.27 2gll h ALA 75 Ca -0.10 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 2gll h ALA 75 Cb 1.85 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 2gll h ALA 75 CO 0.18 0.62 -0.02 1.96 0.00 0.00 0.00 179.25 181.99 2gll h GLN 76 N 0.95 0.57 -0.79 0.00 4.20 -0.99 0.49 115.11 119.54 2gll h GLN 76 Ca 0.18 -0.19 0.04 0.00 0.06 0.00 0.00 58.65 58.74 2gll h GLN 76 Cb 0.49 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 2gll h GLN 76 CO 0.02 0.72 0.50 0.77 -0.67 0.00 0.00 178.83 180.17 2gll h SER 77 N 0.36 0.80 0.34 1.46 0.02 -1.12 -0.51 113.55 114.89 2gll h SER 77 Ca 0.09 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.95 2gll h SER 77 Cb 0.48 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2gll h SER 77 CO 0.02 0.54 -0.40 1.23 -1.14 0.00 0.00 176.83 177.08 2gll h GLY 78 N 0.95 0.10 1.12 -3.77 0.00 -0.94 -2.56 103.07 97.96 2gll h GLY 78 Ca 0.33 -0.09 -0.11 0.00 0.00 0.00 0.00 47.33 47.46 2gll h GLY 78 CO -0.13 0.08 -0.08 -1.33 0.00 0.00 0.00 176.54 175.07 2gll h GLY 79 N 1.22 1.11 0.97 4.60 0.00 0.58 -1.12 103.07 110.43 2gll h GLY 79 Ca 0.01 -0.88 -0.00 0.00 0.00 0.00 0.00 47.33 46.46 2gll h GLY 79 CO 0.06 0.80 -0.01 -2.75 0.00 0.00 0.00 176.54 174.64 2gll h PHE 80 N 0.92 -0.03 -0.68 5.60 3.57 -0.88 0.89 116.94 126.33 2gll h PHE 80 Ca 0.15 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.74 2gll h PHE 80 Cb 0.65 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 2gll h PHE 80 CO 0.04 0.02 0.45 1.25 -2.23 0.00 0.00 178.31 177.84 2gll h LEU 81 N -0.06 0.50 -0.15 0.59 5.85 -1.30 -1.69 115.31 119.05 2gll h LEU 81 Ca -0.00 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.59 2gll h LEU 81 Cb 0.06 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2gll h LEU 81 CO 0.01 0.30 -0.45 0.00 -0.34 0.00 0.00 178.44 177.96 2gll h ALA 82 N 1.65 0.25 -0.80 1.25 0.00 -0.26 -0.59 119.26 120.76 2gll h ALA 82 Ca 0.31 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2gll h ALA 82 Cb 0.50 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2gll h ALA 82 CO -0.10 0.39 0.45 0.74 0.00 0.00 0.00 179.25 180.72 2gll h PHE 83 N 0.20 1.10 0.01 0.00 0.04 -0.40 -1.74 116.94 116.14 2gll h PHE 83 Ca -0.01 -0.02 -0.24 0.00 2.80 0.00 0.00 57.97 60.49 2gll h PHE 83 Cb 1.07 -0.35 0.02 0.00 2.20 0.00 0.00 35.95 38.89 2gll h PHE 83 CO 0.10 0.76 -0.94 1.79 -0.60 0.00 0.00 178.31 179.42 2gll h THR 84 N 1.11 1.32 -0.36 -1.55 1.35 -1.34 -0.61 112.91 112.83 2gll h THR 84 Ca 0.28 -2.22 -0.05 0.00 -0.55 0.00 0.00 66.41 63.88 2gll h THR 84 Cb 0.02 2.46 -0.02 0.00 -1.73 0.00 0.00 68.15 68.89 2gll h THR 84 CO -0.05 0.67 0.00 0.28 -0.25 0.00 0.00 175.52 176.18 2gll h SER 85 N 0.25 0.53 0.30 5.36 0.02 -1.06 0.92 113.55 119.87 2gll h SER 85 Ca -0.12 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 2gll h SER 85 Cb 1.61 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.01 2gll h SER 85 CO 0.18 0.60 -0.15 0.25 -1.14 0.00 0.00 176.83 176.57 2gll h LEU 86 N 0.54 -0.35 -3.00 5.07 5.85 -1.34 -3.40 115.31 118.67 2gll h LEU 86 Ca 0.11 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2gll h LEU 86 Cb 0.34 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2gll h LEU 86 CO 0.01 0.02 0.00 0.79 -0.34 0.00 0.00 178.44 178.92 2gll n TRP 87 N -4.57 0.20 -4.77 1.25 8.01 -0.24 -5.10 117.44 112.23 2gll n TRP 87 Ca -0.05 -0.65 0.00 0.00 -1.31 0.00 0.00 57.50 55.48 2gll n TRP 87 Cb 0.16 -0.10 0.00 0.00 -2.01 0.00 0.00 31.31 29.36 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 -0.50 0.05 3.41 6.99 0.00 0.32 -3.74 105.19 111.72 2gll n GLY 88 Ca 0.08 -0.97 -0.44 0.00 0.00 0.00 0.00 46.02 44.69 2gll n GLY 88 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2gll n PHE 89 N -0.32 4.72 -3.90 1.61 7.35 -1.26 -4.00 117.46 121.66 2gll n PHE 89 Ca 0.00 -3.22 -0.32 0.00 -0.76 0.00 0.00 57.45 53.14 2gll n PHE 89 Cb 0.00 -2.24 -0.13 0.00 0.35 0.00 0.00 39.48 37.46 2gll n PHE 89 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2gll s ASP 90 N 2.85 4.69 0.31 -2.13 -1.08 -1.25 -4.98 116.67 115.09 2gll s ASP 90 Ca 0.44 -2.72 0.06 0.00 -0.52 0.00 0.00 52.55 49.81 2gll s ASP 90 Cb -0.00 -1.70 0.75 0.00 -1.46 0.00 0.00 42.92 40.50 2gll s ASP 90 CO 0.01 -0.32 1.80 -0.65 0.52 0.00 0.00 175.17 176.53 2gll h PRO 91 N 6.97 0.75 0.00 4.34 0.11 -1.91 -2.80 132.00 139.46 2gll h PRO 91 Ca -0.06 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.87 2gll h PRO 91 Cb 0.94 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 2gll h PRO 91 CO 0.66 0.49 -0.63 1.05 -0.21 0.00 0.00 178.00 179.36 2gll h GLU 92 N 0.77 0.00 -0.21 1.05 4.11 -1.94 -1.96 114.58 116.40 2gll h GLU 92 Ca 0.55 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.77 2gll h GLU 92 Cb 0.85 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.10 2gll h GLU 92 CO -0.33 0.63 -0.68 0.82 0.07 0.00 0.00 179.01 179.53 2gll h ILE 93 N 0.00 1.28 -0.36 -1.06 2.04 -1.91 -3.30 117.51 114.19 2gll h ILE 93 Ca -0.01 -1.87 -0.01 0.00 1.00 0.00 0.00 64.86 63.98 2gll h ILE 93 Cb 1.13 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 39.01 2gll h ILE 93 CO 0.08 0.60 0.20 0.00 0.00 0.00 0.00 178.15 179.03 2gll h ALA 94 N 0.63 0.46 0.00 1.87 0.00 -1.36 -3.05 119.26 117.82 2gll h ALA 94 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2gll h ALA 94 Cb 1.29 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2gll h ALA 94 CO 0.14 -0.01 0.03 0.36 0.00 0.00 0.00 179.25 179.77 2gll n LYS 95 N -4.77 0.00 0.00 0.00 2.85 -0.75 -0.64 118.16 114.85 2gll n LYS 95 Ca -0.00 0.14 0.07 0.00 -1.05 0.00 0.00 58.31 57.46 2gll n LYS 95 Cb 0.08 -1.53 -0.07 0.00 -0.65 0.00 0.00 35.03 32.85 2gll n LYS 95 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2gll n THR 96 N -1.08 0.00 -3.38 0.58 -2.24 -1.15 -5.01 114.28 102.01 2gll n THR 96 Ca 0.00 -0.17 -0.20 0.00 -2.27 0.00 0.00 64.05 61.41 2gll n THR 96 Cb 0.03 1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 69.28 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 -2.36 2.58 0.21 -0.78 -0.14 0.19 -4.53 119.74 114.91 2gll s LYS 97 Ca 0.07 -1.49 -0.06 0.00 -1.36 0.00 0.00 55.97 53.13 2gll s LYS 97 Cb 0.12 -2.49 -0.03 0.00 -1.68 0.00 0.00 37.83 33.75 2gll s LYS 97 CO 0.59 -0.30 0.25 0.96 -0.76 0.00 0.00 175.35 176.10 2gll s ILE 98 N -2.47 0.01 -0.01 2.17 -4.36 -0.67 -4.73 121.20 111.14 2gll s ILE 98 Ca 0.50 -1.74 0.07 0.00 -0.26 0.00 0.00 60.65 59.23 2gll s ILE 98 Cb -0.05 -2.31 -0.02 0.00 1.25 0.00 0.00 42.46 41.33 2gll s ILE 98 CO 0.30 -0.06 -0.23 -0.69 0.24 0.00 0.00 174.94 174.49 2gll s VAL 99 N -4.09 1.83 -0.02 8.37 1.01 -1.26 -1.59 120.40 124.65 2gll s VAL 99 Ca 0.30 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.32 2gll s VAL 99 Cb 0.04 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 2gll s VAL 99 CO 0.09 0.47 -0.25 -0.31 0.00 0.00 0.00 175.10 175.11 2gll s TYR 100 N -0.59 2.38 0.11 5.22 1.51 0.09 -4.96 117.35 121.10 2gll s TYR 100 Ca 0.09 -0.40 -0.28 0.00 -1.01 0.00 0.00 57.07 55.47 2gll s TYR 100 Cb -0.09 -1.51 -0.06 0.00 -0.11 0.00 0.00 41.96 40.19 2gll s TYR 100 CO -0.00 0.00 0.89 -0.06 -1.11 0.00 0.00 175.55 175.28 2gll s PHE 101 N -0.65 3.81 -0.12 2.71 0.40 -1.26 -0.47 117.98 122.41 2gll s PHE 101 Ca 0.10 1.71 -0.10 0.00 -0.60 0.00 0.00 56.93 58.04 2gll s PHE 101 Cb -0.10 -2.97 -0.05 0.00 0.51 0.00 0.00 43.02 40.41 2gll s PHE 101 CO -0.00 0.27 -0.22 -1.33 0.70 0.00 0.00 175.22 174.63 2gll n MET 102 N 2.61 0.35 -3.94 0.44 2.81 0.18 -4.89 117.12 114.68 2gll n MET 102 Ca 0.00 0.15 -0.09 0.00 -1.81 0.00 0.00 57.70 55.95 2gll n MET 102 Cb 0.49 -1.10 -0.09 0.00 -0.71 0.00 0.00 33.22 31.81 2gll n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2gll s THR 103 N -2.46 0.15 -0.05 2.03 -4.23 -0.84 -4.97 115.64 105.27 2gll s THR 103 Ca -0.21 -1.26 -0.03 0.00 -1.18 0.00 0.00 61.69 59.01 2gll s THR 103 Cb 0.06 -1.13 0.03 0.00 1.34 0.00 0.00 72.50 72.79 2gll s THR 103 CO 0.29 -0.70 0.12 -0.63 -0.54 0.00 0.00 174.62 173.16 2gll s ILE 104 N -3.18 -0.03 0.17 2.99 1.01 -1.26 -0.68 121.20 120.22 2gll s ILE 104 Ca -0.00 0.10 -0.17 0.00 0.00 0.00 0.00 60.65 60.58 2gll s ILE 104 Cb 0.02 -0.19 0.03 0.00 0.01 0.00 0.00 42.46 42.33 2gll s ILE 104 CO -0.07 0.04 0.48 -0.62 0.00 0.00 0.00 174.94 174.77 2gll s ASP 105 N 0.66 -0.28 -1.45 3.58 2.15 0.17 -4.97 116.67 116.54 2gll s ASP 105 Ca -0.05 -0.38 -0.06 0.00 0.43 0.00 0.00 52.55 52.48 2gll s ASP 105 Cb -0.07 0.54 0.04 0.00 -0.30 0.00 0.00 42.92 43.14 2gll s ASP 105 CO -0.03 -0.97 0.72 0.29 -0.17 0.00 0.00 175.17 175.01 2gll n LYS 106 N -0.30 -4.46 -3.86 4.34 5.02 -1.26 -1.59 118.16 116.03 2gll n LYS 106 Ca -0.13 0.53 -0.36 0.00 -2.02 0.00 0.00 58.31 56.33 2gll n LYS 106 Cb 0.63 -5.09 -0.07 0.00 -0.02 0.00 0.00 35.03 30.48 2gll n LYS 106 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2gll s VAL 107 N -3.59 5.43 -0.01 -0.18 0.11 -1.26 -3.90 120.40 117.00 2gll s VAL 107 Ca 0.29 0.18 0.01 0.00 -2.93 0.00 0.00 61.98 59.54 2gll s VAL 107 Cb -0.15 -3.39 0.00 0.00 -1.53 0.00 0.00 36.38 31.31 2gll s VAL 107 CO 0.85 0.57 -0.05 -0.54 -3.33 0.00 0.00 175.10 172.61 2gll s LYS 108 N -0.67 0.46 -0.22 1.54 1.02 -0.60 -4.96 119.74 116.31 2gll s LYS 108 Ca 0.13 -0.16 -0.05 0.00 0.02 0.00 0.00 55.97 55.90 2gll s LYS 108 Cb -0.12 -0.46 -0.02 0.00 -0.52 0.00 0.00 37.83 36.72 2gll s LYS 108 CO 0.02 0.08 0.01 -0.06 -0.92 0.00 0.00 175.35 174.48 2gll s PHE 109 N 0.05 3.02 -0.25 3.18 0.40 -1.26 -1.30 117.98 121.82 2gll s PHE 109 Ca -0.00 -0.62 -0.04 0.00 -0.60 0.00 0.00 56.93 55.67 2gll s PHE 109 Cb -0.04 -2.14 -0.14 0.00 0.51 0.00 0.00 43.02 41.21 2gll s PHE 109 CO -0.00 -0.39 -0.26 0.54 0.70 0.00 0.00 175.22 175.81 2gll n ARG 110 N 4.64 0.58 -4.42 0.44 1.74 0.34 -4.98 116.66 115.01 2gll n ARG 110 Ca -0.17 0.18 -0.20 0.00 -0.77 0.00 0.00 57.85 56.89 2gll n ARG 110 Cb 0.51 -1.46 -0.15 0.00 -1.02 0.00 0.00 32.46 30.34 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 -2.48 0.82 0.29 0.55 1.01 -1.16 -5.04 121.20 115.19 2gll s ILE 111 Ca -0.34 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 59.63 2gll s ILE 111 Cb 0.11 -0.72 -0.10 0.00 0.01 0.00 0.00 42.46 41.76 2gll s ILE 111 CO 0.52 0.25 1.26 -2.16 0.00 0.00 0.00 174.94 174.81 2gll s PRO 112 N 0.13 4.43 -0.08 2.79 0.04 -1.26 -4.79 135.00 136.26 2gll s PRO 112 Ca -0.02 2.09 -0.13 0.00 0.04 0.00 0.00 61.00 62.98 2gll s PRO 112 Cb -0.08 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 2gll s PRO 112 CO 0.00 -0.11 0.33 0.08 0.04 0.00 0.00 177.00 177.34 2gll s VAL 113 N -0.87 5.22 0.22 -0.36 1.01 -1.26 -5.02 120.40 119.34 2gll s VAL 113 Ca 0.50 0.64 -0.00 0.00 0.00 0.00 0.00 61.98 63.11 2gll s VAL 113 Cb -0.37 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2gll s VAL 113 CO 0.47 0.50 0.13 0.42 0.00 0.00 0.00 175.10 176.62 2gll s THR 114 N -0.41 0.16 0.18 3.92 -4.23 -1.26 -0.89 115.64 113.10 2gll s THR 114 Ca 0.20 -2.00 -0.33 0.00 -1.18 0.00 0.00 61.69 58.38 2gll s THR 114 Cb -0.14 -2.54 -0.14 0.00 1.34 0.00 0.00 72.50 71.01 2gll s THR 114 CO 0.08 0.00 1.44 -2.65 -0.54 0.00 0.00 174.62 172.96 2gll n PRO 115 N -0.34 1.86 0.00 3.99 -0.02 -1.26 -1.58 135.00 137.65 2gll n PRO 115 Ca 0.02 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2gll n PRO 115 Cb 0.66 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 2.73 2.76 3.82 -1.23 0.00 0.52 -4.93 105.19 108.86 2gll n GLY 116 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.49 7.00 -0.38 1.61 -0.00 -0.61 -4.90 116.67 117.90 2gll s ASP 117 Ca 0.00 1.64 -0.07 0.00 -0.00 0.00 0.00 52.55 54.12 2gll s ASP 117 Cb 0.00 -2.51 0.06 0.00 -0.00 0.00 0.00 42.92 40.47 2gll s ASP 117 CO 0.00 -0.25 0.18 -0.60 -0.00 0.00 0.00 175.17 174.50 2gll s ARG 118 N -2.84 2.55 -0.78 8.23 3.52 -1.26 -1.09 118.95 127.28 2gll s ARG 118 Ca 0.57 -1.36 -0.22 0.00 -0.13 0.00 0.00 55.73 54.58 2gll s ARG 118 Cb -0.12 -3.62 0.08 0.00 -1.56 0.00 0.00 34.95 29.73 2gll s ARG 118 CO 0.16 -0.83 1.11 -1.17 -0.81 0.00 0.00 175.30 173.76 2gll s LEU 119 N 1.39 4.24 -0.21 -0.88 2.96 -0.14 -4.42 118.68 121.63 2gll s LEU 119 Ca 0.01 -1.21 -0.22 0.00 -0.22 0.00 0.00 54.13 52.50 2gll s LEU 119 Cb -0.21 -2.45 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 2gll s LEU 119 CO 0.02 -1.42 0.70 -0.70 -1.32 0.00 0.00 176.35 173.63 2gll s GLU 120 N 4.12 4.20 -0.12 1.98 2.12 0.23 -1.32 118.70 129.91 2gll s GLU 120 Ca 0.29 0.74 -0.12 0.00 0.36 0.00 0.00 54.97 56.24 2gll s GLU 120 Cb -0.11 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.63 2gll s GLU 120 CO 0.04 -0.34 0.28 0.71 -0.54 0.00 0.00 175.26 175.41 2gll s TYR 121 N 2.24 3.54 -0.24 5.30 1.51 0.27 0.39 117.35 130.37 2gll s TYR 121 Ca 0.31 0.65 0.01 0.00 -1.01 0.00 0.00 57.07 57.04 2gll s TYR 121 Cb -0.16 -2.24 0.06 0.00 -0.11 0.00 0.00 41.96 39.51 2gll s TYR 121 CO 0.10 0.43 -0.06 -1.01 -1.11 0.00 0.00 175.55 173.90 2gll s HIS 122 N -0.17 2.56 0.01 2.71 3.76 -0.48 -1.33 115.29 122.35 2gll s HIS 122 Ca 0.17 -1.87 0.05 0.00 -0.15 0.00 0.00 55.06 53.26 2gll s HIS 122 Cb -0.13 -1.66 -0.02 0.00 1.11 0.00 0.00 32.58 31.88 2gll s HIS 122 CO 0.06 -0.80 -0.16 -0.51 -0.85 0.00 0.00 174.74 172.48 2gll s LEU 123 N 1.34 2.09 0.14 0.89 2.01 -0.47 -1.91 118.68 122.76 2gll s LEU 123 Ca -0.06 -0.36 0.08 0.00 0.01 0.00 0.00 54.13 53.80 2gll s LEU 123 Cb -0.19 -0.77 -0.04 0.00 0.01 0.00 0.00 46.19 45.21 2gll s LEU 123 CO -0.06 0.14 -0.19 -1.83 1.01 0.00 0.00 176.35 175.43 2gll s GLU 124 N -0.68 1.19 -0.07 1.70 -1.05 -0.90 -0.17 118.70 118.72 2gll s GLU 124 Ca 0.05 -1.30 -0.26 0.00 -0.15 0.00 0.00 54.97 53.31 2gll s GLU 124 Cb -0.07 -1.29 -0.03 0.00 -0.44 0.00 0.00 34.13 32.30 2gll s GLU 124 CO 0.00 0.28 0.82 0.14 0.95 0.00 0.00 175.26 177.45 2gll s VAL 125 N -1.75 4.95 -0.20 1.83 -7.23 0.11 -1.93 120.40 116.19 2gll s VAL 125 Ca 0.11 1.69 0.08 0.00 -1.81 0.00 0.00 61.98 62.05 2gll s VAL 125 Cb -0.07 -4.15 -0.22 0.00 0.56 0.00 0.00 36.38 32.50 2gll s VAL 125 CO 0.05 0.17 0.04 0.18 -0.31 0.00 0.00 175.10 175.24 2gll n LEU 126 N 4.14 1.62 -3.55 1.32 4.77 0.12 -4.94 117.00 120.48 2gll n LEU 126 Ca 0.02 0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.92 2gll n LEU 126 Cb 0.51 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 2gll n LEU 126 CO 0.49 0.71 0.76 -0.75 -1.33 0.00 0.00 177.39 177.27 2gll s LYS 127 N -2.52 0.67 -0.17 3.23 2.20 -0.63 -5.02 119.74 117.49 2gll s LYS 127 Ca -0.21 -0.07 -0.28 0.00 -0.36 0.00 0.00 55.97 55.04 2gll s LYS 127 Cb 0.07 0.31 0.10 0.00 -1.51 0.00 0.00 37.83 36.80 2gll s LYS 127 CO 0.73 -0.26 0.87 -3.38 -0.36 0.00 0.00 175.35 172.95 2gll s HIS 128 N -2.11 -0.55 -0.20 4.03 -3.43 -1.26 0.34 115.29 112.11 2gll s HIS 128 Ca 0.02 1.11 -0.06 0.00 -0.80 0.00 0.00 55.06 55.33 2gll s HIS 128 Cb -0.01 0.39 0.10 0.00 -1.43 0.00 0.00 32.58 31.63 2gll s HIS 128 CO -0.04 -0.40 0.41 0.21 -2.00 0.00 0.00 174.74 172.92 2gll s LYS 129 N -0.58 0.32 8.00 -0.38 2.20 -0.08 -5.02 119.74 124.20 2gll s LYS 129 Ca -0.03 0.94 0.00 0.00 -0.36 0.00 0.00 55.97 56.52 2gll s LYS 129 Cb -0.02 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 2gll s LYS 129 CO 0.02 -0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.10 2gll n GLY 130 N 5.39 4.26 0.06 5.54 0.00 -1.26 -1.29 105.19 117.89 2gll n GLY 130 Ca -0.07 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 13.89 0.18 -3.18 1.61 2.81 -1.26 -4.86 117.12 126.31 2gll n MET 131 Ca 0.00 -0.12 -0.40 0.00 -1.81 0.00 0.00 57.70 55.37 2gll n MET 131 Cb 0.00 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 30.94 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 -2.90 5.04 -0.05 2.02 -1.09 -0.41 -1.84 121.20 121.98 2gll s ILE 132 Ca 0.13 1.01 0.05 0.00 -2.23 0.00 0.00 60.65 59.60 2gll s ILE 132 Cb 0.17 -3.88 -0.01 0.00 -1.58 0.00 0.00 42.46 37.17 2gll s ILE 132 CO 0.71 0.09 -0.20 0.26 -1.23 0.00 0.00 174.94 174.56 2gll s TRP 133 N 2.21 2.01 -0.17 3.97 0.52 -0.37 -0.90 118.94 126.21 2gll s TRP 133 Ca 0.24 -0.58 0.01 0.00 0.02 0.00 0.00 56.10 55.78 2gll s TRP 133 Cb -0.16 -1.34 0.01 0.00 -1.15 0.00 0.00 33.47 30.84 2gll s TRP 133 CO 0.09 -0.19 -0.19 -1.14 0.02 0.00 0.00 176.95 175.55 2gll s GLN 134 N -0.05 3.05 0.20 4.98 0.74 0.15 -1.06 119.66 127.67 2gll s GLN 134 Ca -0.04 -0.81 0.01 0.00 0.05 0.00 0.00 55.36 54.57 2gll s GLN 134 Cb -0.12 -2.58 -0.05 0.00 1.10 0.00 0.00 33.01 31.37 2gll s GLN 134 CO 0.03 -0.14 0.07 0.14 -0.55 0.00 0.00 175.29 174.83 2gll s VAL 135 N 1.15 0.41 0.16 1.34 -7.23 -0.23 0.12 120.40 116.12 2gll s VAL 135 Ca 0.01 -1.98 -0.23 0.00 -1.81 0.00 0.00 61.98 57.98 2gll s VAL 135 Cb -0.14 -2.34 0.07 0.00 0.56 0.00 0.00 36.38 34.52 2gll s VAL 135 CO -0.08 -0.23 0.59 -0.83 -0.31 0.00 0.00 175.10 174.23 2gll s GLY 136 N -3.19 -0.60 0.00 2.32 0.00 -0.81 -0.31 107.32 104.73 2gll s GLY 136 Ca 0.31 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.49 2gll s GLY 136 CO 0.08 0.13 0.00 0.61 0.00 0.00 0.00 173.10 173.93 2gll n GLY 137 N -0.37 -0.73 3.30 0.20 0.00 0.47 -2.11 105.19 105.95 2gll n GLY 137 Ca -0.17 -0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 -0.04 2.61 -4.23 -0.80 -1.31 115.64 107.87 2gll s THR 138 Ca 0.00 -1.92 0.03 0.00 -1.18 0.00 0.00 61.69 58.62 2gll s THR 138 Cb 0.00 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.33 2gll s THR 138 CO 0.00 0.00 -0.13 0.00 -0.54 0.00 0.00 174.62 173.95 2gll s ALA 139 N -3.59 1.22 0.05 3.99 0.00 -0.32 -1.38 121.76 121.73 2gll s ALA 139 Ca 0.38 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 51.90 2gll s ALA 139 Cb 0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 2gll s ALA 139 CO 0.22 0.18 -0.13 -0.65 0.00 0.00 0.00 175.76 175.38 2gll s GLN 140 N 0.29 0.80 -0.09 0.00 -0.21 0.16 -1.25 119.66 119.36 2gll s GLN 140 Ca -0.07 -0.80 0.02 0.00 0.02 0.00 0.00 55.36 54.53 2gll s GLN 140 Cb -0.12 -0.76 0.02 0.00 1.00 0.00 0.00 33.01 33.14 2gll s GLN 140 CO 0.02 0.18 -0.12 0.08 -2.12 0.00 0.00 175.29 173.33 2gll s VAL 141 N -1.05 1.22 -1.60 1.09 1.01 -0.23 -0.60 120.40 120.24 2gll s VAL 141 Ca -0.02 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 2gll s VAL 141 Cb -0.09 -1.14 0.07 0.00 0.00 0.00 0.00 36.38 35.23 2gll s VAL 141 CO 0.01 0.38 0.39 -0.67 0.00 0.00 0.00 175.10 175.22 2gll n ASP 142 N 4.14 -0.78 0.00 3.32 4.64 -1.26 -0.78 116.55 125.82 2gll n ASP 142 Ca -0.20 -1.14 0.00 0.00 -1.38 0.00 0.00 54.79 52.07 2gll n ASP 142 Cb 0.51 -2.27 0.00 0.00 -1.04 0.00 0.00 41.12 38.32 2gll n ASP 142 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2gll n GLY 143 N -1.91 2.66 3.90 0.27 0.00 -1.26 -5.02 105.19 103.83 2gll n GLY 143 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.16 3.42 -0.23 1.61 1.02 0.04 -5.06 119.74 120.38 2gll s LYS 144 Ca 0.00 -0.35 -0.29 0.00 0.02 0.00 0.00 55.97 55.35 2gll s LYS 144 Cb 0.00 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 2gll s LYS 144 CO 0.00 0.66 1.12 0.08 -0.92 0.00 0.00 175.35 176.29 2gll s VAL 145 N -1.35 4.52 -0.44 3.17 1.01 -1.26 -1.07 120.40 124.98 2gll s VAL 145 Ca 0.28 1.83 0.17 0.00 0.00 0.00 0.00 61.98 64.26 2gll s VAL 145 Cb -0.13 -4.23 -0.23 0.00 0.00 0.00 0.00 36.38 31.80 2gll s VAL 145 CO 0.20 -0.21 0.56 1.33 0.00 0.00 0.00 175.10 176.98 2gll n VAL 146 N 5.44 0.00 -3.50 2.92 0.24 -0.38 -4.51 118.33 118.53 2gll n VAL 146 Ca 0.13 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.34 62.07 2gll n VAL 146 Cb 0.46 0.58 -0.04 0.00 -1.47 0.00 0.00 33.84 33.37 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 -2.89 -1.78 0.04 2.33 0.00 -1.12 -0.51 121.76 117.82 2gll s ALA 147 Ca 0.00 1.08 0.03 0.00 0.00 0.00 0.00 51.96 53.08 2gll s ALA 147 Cb 0.12 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.42 2gll s ALA 147 CO 0.71 -0.56 -0.10 -1.21 0.00 0.00 0.00 175.76 174.61 2gll s GLU 148 N -2.42 0.63 -0.02 0.00 2.02 -0.42 -1.18 118.70 117.31 2gll s GLU 148 Ca -0.01 -0.73 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 2gll s GLU 148 Cb -0.01 -0.50 0.11 0.00 0.10 0.00 0.00 34.13 33.83 2gll s GLU 148 CO -0.04 0.11 1.02 0.00 0.02 0.00 0.00 175.26 176.37 2gll s ALA 149 N -1.15 -1.89 0.01 5.21 0.00 -0.42 -1.55 121.76 121.96 2gll s ALA 149 Ca -0.06 0.96 0.01 0.00 0.00 0.00 0.00 51.96 52.87 2gll s ALA 149 Cb -0.09 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 2gll s ALA 149 CO 0.01 -0.77 -0.03 -1.21 0.00 0.00 0.00 175.76 173.76 2gll s GLU 150 N -2.92 0.28 0.20 0.00 2.02 -0.62 -0.40 118.70 117.26 2gll s GLU 150 Ca 0.08 -0.34 -0.21 0.00 0.02 0.00 0.00 54.97 54.52 2gll s GLU 150 Cb -0.00 -0.12 0.05 0.00 0.10 0.00 0.00 34.13 34.15 2gll s GLU 150 CO -0.05 0.02 0.61 -0.48 0.02 0.00 0.00 175.26 175.38 2gll s LEU 151 N -0.70 -0.32 -0.05 1.80 0.05 0.58 -0.65 118.68 119.39 2gll s LEU 151 Ca -0.06 -0.29 0.00 0.00 0.05 0.00 0.00 54.13 53.84 2gll s LEU 151 Cb -0.05 2.52 0.02 0.00 -2.05 0.00 0.00 46.19 46.63 2gll s LEU 151 CO -0.00 -1.09 -0.03 -0.75 -0.55 0.00 0.00 176.35 173.92 2gll s LYS 152 N -3.83 0.74 0.30 1.48 2.20 0.14 -1.07 119.74 119.71 2gll s LYS 152 Ca 0.06 -0.04 0.06 0.00 -0.36 0.00 0.00 55.97 55.69 2gll s LYS 152 Cb -0.02 -0.85 -0.06 0.00 -1.51 0.00 0.00 37.83 35.39 2gll s LYS 152 CO -0.05 -0.14 -0.04 0.00 -0.36 0.00 0.00 175.35 174.76 2gll s ALA 153 N 1.18 2.43 -0.04 3.13 0.00 -0.22 0.50 121.76 128.74 2gll s ALA 153 Ca -0.07 -1.95 0.02 0.00 0.00 0.00 0.00 51.96 49.96 2gll s ALA 153 Cb -0.14 0.23 0.01 0.00 0.00 0.00 0.00 23.12 23.22 2gll s ALA 153 CO -0.01 -0.09 -0.09 1.41 0.00 0.00 0.00 175.76 176.97 2gll s MET 154 N -3.74 1.14 -0.02 0.00 1.75 0.38 -1.24 119.30 117.58 2gll s MET 154 Ca 0.31 -0.31 -0.17 0.00 -1.25 0.00 0.00 55.69 54.27 2gll s MET 154 Cb 0.05 -1.03 -0.05 0.00 2.84 0.00 0.00 34.83 36.63 2gll s MET 154 CO 0.13 0.07 0.47 0.42 -0.65 0.00 0.00 175.02 175.46 2gll s ILE 155 N 0.40 5.01 0.01 10.11 1.01 -0.76 -0.73 121.20 136.24 2gll s ILE 155 Ca -0.07 0.97 -0.06 0.00 0.00 0.00 0.00 60.65 61.50 2gll s ILE 155 Cb -0.11 -3.79 -0.00 0.00 0.01 0.00 0.00 42.46 38.56 2gll s ILE 155 CO 0.01 0.49 0.10 0.00 0.00 0.00 0.00 174.94 175.54 2gll s ALA 156 N -0.54 -0.21 -2.00 9.38 0.00 -0.62 -4.82 121.76 122.94 2gll s ALA 156 Ca 0.26 -0.27 0.06 0.00 0.00 0.00 0.00 51.96 52.01 2gll s ALA 156 Cb -0.17 0.13 0.34 0.00 0.00 0.00 0.00 23.12 23.43 2gll s ALA 156 CO 0.14 -0.21 0.81 0.39 0.00 0.00 0.00 175.76 176.89