#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gag n ASN 3 N 0.00 0.00 -0.22 1.61 4.05 -1.26 -4.63 115.26 114.81 3gag n ASN 3 Ca 0.00 0.00 -0.07 0.00 0.45 0.00 0.00 54.58 54.96 3gag n ASN 3 Cb 0.00 0.00 0.03 0.00 1.23 0.00 0.00 39.78 41.04 3gag n ASN 3 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 177.26 174.65 3gag h ASP 4 N 0.00 0.82 -0.30 1.20 3.32 -2.05 0.11 116.42 119.52 3gag h ASP 4 Ca 0.00 -0.14 -0.16 0.00 0.02 0.00 0.00 57.03 56.75 3gag h ASP 4 Cb 0.00 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 3gag h ASP 4 CO 0.00 0.73 -0.44 1.88 -1.72 0.00 0.00 179.24 179.70 3gag h TYR 5 N 0.86 1.05 -0.36 4.55 0.05 -2.00 -1.22 116.97 119.90 3gag h TYR 5 Ca 0.21 -0.33 -0.02 0.00 0.05 0.00 0.00 58.73 58.64 3gag h TYR 5 Cb 0.14 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 3gag h TYR 5 CO 0.00 1.14 0.13 -0.07 -1.05 0.00 0.00 178.16 178.32 3gag h LEU 6 N 0.69 0.50 -0.98 3.88 3.38 -1.90 -1.34 115.31 119.54 3gag h LEU 6 Ca 0.04 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 57.90 3gag h LEU 6 Cb 1.02 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 3gag h LEU 6 CO 0.10 0.54 0.63 0.78 0.09 0.00 0.00 178.44 180.59 3gag h ASN 7 N 0.43 1.02 0.09 -0.43 2.35 -0.71 -0.51 115.58 117.82 3gag h ASN 7 Ca 0.12 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3gag h ASN 7 Cb 0.21 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3gag h ASN 7 CO -0.01 0.66 -0.05 0.15 -1.65 0.00 0.00 177.43 176.53 3gag h PHE 8 N 1.16 -0.12 -0.77 1.19 3.57 -0.92 -1.86 116.94 119.20 3gag h PHE 8 Ca 0.42 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.95 3gag h PHE 8 Cb 0.14 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 3gag h PHE 8 CO -0.01 0.06 0.49 -0.07 -2.23 0.00 0.00 178.31 176.55 3gag h LEU 9 N -0.28 0.80 -1.98 0.59 3.38 -1.01 -2.24 115.31 114.58 3gag h LEU 9 Ca -0.01 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3gag h LEU 9 Cb 0.23 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3gag h LEU 9 CO 0.02 0.56 -0.10 0.44 0.09 0.00 0.00 178.44 179.45 3gag h ASP 10 N 0.95 0.00 0.88 -0.43 3.32 -0.95 -2.86 116.42 117.34 3gag h ASP 10 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3gag h ASP 10 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3gag h ASP 10 CO -0.11 0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.12 3gag n GLY 11 N -0.67 -1.35 3.69 2.75 0.00 -0.71 -4.68 105.19 104.22 3gag n GLY 11 Ca -0.02 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3gag n GLY 11 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gag s ARG 12 N -3.20 4.24 0.21 1.61 3.00 -1.08 -4.96 118.95 118.77 3gag s ARG 12 Ca 0.07 2.16 -0.13 0.00 -1.00 0.00 0.00 55.73 56.83 3gag s ARG 12 Cb 0.11 -3.55 0.00 0.00 0.00 0.00 0.00 34.95 31.50 3gag s ARG 12 CO 0.43 -0.65 0.43 0.08 0.00 0.00 0.00 175.30 175.59 3gag s VAL 13 N 2.41 0.02 -0.14 7.11 1.01 -1.26 -5.06 120.40 124.49 3gag s VAL 13 Ca 0.69 -1.27 -0.27 0.00 0.00 0.00 0.00 61.98 61.13 3gag s VAL 13 Cb -0.36 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 3gag s VAL 13 CO 0.30 -0.11 0.88 -0.44 0.00 0.00 0.00 175.10 175.73 3gag s SER 14 N -2.97 7.05 -0.15 3.32 0.01 -1.26 -4.48 113.70 115.22 3gag s SER 14 Ca 0.18 1.29 -0.00 0.00 1.31 0.00 0.00 55.95 58.73 3gag s SER 14 Cb 0.01 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 3gag s SER 14 CO 0.04 -0.40 -0.13 -0.69 0.41 0.00 0.00 173.24 172.47 3gag s VAL 15 N 2.02 2.91 -0.26 3.43 1.01 -0.51 -4.25 120.40 124.76 3gag s VAL 15 Ca 0.41 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.73 3gag s VAL 15 Cb -0.17 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 33.98 3gag s VAL 15 CO 0.14 0.51 0.40 0.54 0.00 0.00 0.00 175.10 176.69 3gag n ARG 16 N 3.85 2.11 -3.82 2.72 1.74 -1.26 -3.95 116.66 118.04 3gag n ARG 16 Ca -0.18 -0.40 -0.36 0.00 -0.77 0.00 0.00 57.85 56.14 3gag n ARG 16 Cb 0.52 -0.88 -0.12 0.00 -1.02 0.00 0.00 32.46 30.96 3gag n ARG 16 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3gag s ARG 17 N -0.63 2.24 0.27 5.56 0.52 -1.26 -3.93 118.95 121.70 3gag s ARG 17 Ca 0.02 -1.53 0.09 0.00 -0.52 0.00 0.00 55.73 53.80 3gag s ARG 17 Cb 0.02 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 3gag s ARG 17 CO 0.06 -0.85 0.02 -0.06 0.02 0.00 0.00 175.30 174.49 3gag s PHE 18 N 1.22 2.73 -0.40 -0.53 0.08 -1.26 -0.40 117.98 119.42 3gag s PHE 18 Ca 0.02 -0.22 -0.25 0.00 0.12 0.00 0.00 56.93 56.60 3gag s PHE 18 Cb -0.21 -1.23 0.02 0.00 -0.57 0.00 0.00 43.02 41.02 3gag s PHE 18 CO -0.02 0.60 0.88 0.34 -0.10 0.00 0.00 175.22 176.92 3gag s ASP 19 N -3.70 6.58 0.00 1.36 -1.08 0.20 -4.72 116.67 115.31 3gag s ASP 19 Ca 0.32 0.35 0.15 0.00 -0.52 0.00 0.00 52.55 52.85 3gag s ASP 19 Cb -0.06 -2.44 0.71 0.00 -1.46 0.00 0.00 42.92 39.67 3gag s ASP 19 CO 0.20 -0.88 1.47 -0.81 0.52 0.00 0.00 175.17 175.67 3gag n PRO 20 N 6.79 0.09 0.00 4.34 -0.04 -1.24 -2.34 135.00 142.59 3gag n PRO 20 Ca 0.05 0.20 0.09 0.00 -0.04 0.00 0.00 63.50 63.80 3gag n PRO 20 Cb 0.48 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.37 3gag n PRO 20 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3gag n ASP 21 N -1.41 1.12 -4.72 3.54 8.00 -1.26 -4.97 116.55 116.85 3gag n ASP 21 Ca 0.05 -1.06 -0.42 0.00 0.71 0.00 0.00 54.79 54.07 3gag n ASP 21 Cb 0.16 0.85 -0.03 0.00 -0.02 0.00 0.00 41.12 42.08 3gag n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gag s ALA 22 N -2.54 3.48 -0.19 2.24 0.00 -0.99 -5.02 121.76 118.74 3gag s ALA 22 Ca 0.09 0.99 -0.07 0.00 0.00 0.00 0.00 51.96 52.97 3gag s ALA 22 Cb 0.14 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 3gag s ALA 22 CO 0.66 -0.49 0.05 0.08 0.00 0.00 0.00 175.76 176.06 3gag s VAL 23 N 0.77 4.61 -0.44 0.00 1.01 -1.26 -4.52 120.40 120.58 3gag s VAL 23 Ca 0.59 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 62.32 3gag s VAL 23 Cb -0.33 -3.08 0.04 0.00 0.00 0.00 0.00 36.38 33.01 3gag s VAL 23 CO 0.32 0.45 0.37 -0.22 0.00 0.00 0.00 175.10 176.01 3gag s LEU 24 N 0.53 5.26 0.51 3.92 2.96 -1.26 -5.07 118.68 125.53 3gag s LEU 24 Ca 0.02 -1.03 -0.23 0.00 -0.22 0.00 0.00 54.13 52.68 3gag s LEU 24 Cb -0.13 -2.21 -0.06 0.00 0.50 0.00 0.00 46.19 44.29 3gag s LEU 24 CO 0.01 -0.56 1.32 -2.84 -1.32 0.00 0.00 176.35 172.96 3gag s PRO 25 N 1.76 3.39 0.35 0.98 0.02 -1.26 -4.85 135.00 135.40 3gag s PRO 25 Ca 0.06 2.14 0.03 0.00 0.02 0.00 0.00 61.00 63.25 3gag s PRO 25 Cb -0.21 -2.37 0.65 0.00 0.02 0.00 0.00 34.50 32.60 3gag s PRO 25 CO 0.09 -0.96 1.99 -0.91 -0.33 0.00 0.00 177.00 176.88 3gag h ASN 26 N 1.76 0.66 -0.88 2.53 2.35 -1.99 -1.41 115.58 118.60 3gag h ASN 26 Ca -0.50 -0.04 0.09 0.00 -0.55 0.00 0.00 56.30 55.30 3gag h ASN 26 Cb 1.28 -0.17 -0.07 0.00 0.05 0.00 0.00 38.32 39.41 3gag h ASN 26 CO 0.59 0.52 0.53 0.44 -1.65 0.00 0.00 177.43 177.85 3gag h ASP 27 N 0.76 0.78 -0.19 5.81 5.19 -2.00 -0.84 116.42 125.92 3gag h ASP 27 Ca 0.20 0.04 -0.16 0.00 -0.62 0.00 0.00 57.03 56.49 3gag h ASP 27 Cb -0.01 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 3gag h ASP 27 CO -0.04 0.45 -0.45 -0.07 -3.12 0.00 0.00 179.24 176.02 3gag h LEU 28 N 0.89 0.81 -0.70 1.55 3.38 -1.66 -1.32 115.31 118.26 3gag h LEU 28 Ca 0.42 -0.39 0.08 0.00 0.09 0.00 0.00 57.88 58.08 3gag h LEU 28 Cb 0.36 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 3gag h LEU 28 CO -0.24 1.14 0.36 0.40 0.09 0.00 0.00 178.44 180.19 3gag h ILE 29 N 0.60 0.89 -0.39 1.22 2.04 -0.56 -2.60 117.51 118.71 3gag h ILE 29 Ca 0.04 -0.22 -0.11 0.00 1.00 0.00 0.00 64.86 65.57 3gag h ILE 29 Cb 1.01 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3gag h ILE 29 CO 0.10 0.12 -0.20 0.11 0.00 0.00 0.00 178.15 178.27 3gag h LYS 30 N 0.63 0.82 -1.24 2.37 1.57 -0.95 -1.82 116.57 117.96 3gag h LYS 30 Ca 0.33 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3gag h LYS 30 Cb 0.31 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3gag h LYS 30 CO -0.24 1.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.39 3gag n ASP 31 N -4.24 0.06 0.00 0.86 8.00 -0.52 -0.85 116.55 119.86 3gag n ASP 31 Ca -0.02 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.43 3gag n ASP 31 Cb 0.43 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 3gag n ASP 31 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3gag n LEU 33 N 0.80 0.00 0.05 0.64 4.77 -0.69 -1.49 117.00 121.08 3gag n LEU 33 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3gag n LEU 33 Cb 0.01 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 3gag n LEU 33 CO 0.00 0.00 0.80 -0.08 -1.33 0.00 0.00 177.39 176.78 3gag h GLU 34 N 0.00 -0.06 -0.55 3.23 4.81 -1.26 -0.74 114.58 120.01 3gag h GLU 34 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 3gag h GLU 34 Cb 0.00 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3gag h GLU 34 CO 0.00 0.05 -0.03 0.45 -0.73 0.00 0.00 179.01 178.75 3gag h HIS 35 N -0.17 1.05 -0.47 0.92 3.86 -1.52 -2.66 115.15 116.16 3gag h HIS 35 Ca -0.01 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.01 3gag h HIS 35 Cb 0.15 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 3gag h HIS 35 CO -0.04 0.96 0.26 0.00 0.86 0.00 0.00 177.93 179.96 3gag h ALA 36 N 1.07 1.57 0.00 2.45 0.00 -1.77 -2.44 119.26 120.14 3gag h ALA 36 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gag h ALA 36 Cb 0.56 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3gag h ALA 36 CO 0.03 0.36 0.00 -1.13 0.00 0.00 0.00 179.25 178.51 3gag n SER 37 N -4.42 0.40 0.00 0.00 3.41 -0.30 -1.64 113.62 111.08 3gag n SER 37 Ca 0.04 0.65 0.09 0.00 -0.26 0.00 0.00 58.87 59.40 3gag n SER 37 Cb 0.10 -0.72 0.47 0.00 -0.26 0.00 0.00 64.21 63.80 3gag n SER 37 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3gag n TYR 38 N -2.00 0.00 -1.50 7.33 4.01 -0.92 -4.80 117.16 119.27 3gag n TYR 38 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.36 3gag n TYR 38 Cb 0.09 -0.35 0.04 0.00 -0.31 0.00 0.00 39.34 38.81 3gag n TYR 38 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gag n ALA 39 N -1.35 -0.84 -1.83 -0.72 0.00 -0.65 -4.98 120.51 110.14 3gag n ALA 39 Ca 0.08 0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.22 3gag n ALA 39 Cb 0.17 -1.89 -0.02 0.00 0.00 0.00 0.00 19.45 17.71 3gag n ALA 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3gag s PRO 40 N -2.15 3.82 0.03 0.00 0.04 -1.26 -4.98 135.00 130.50 3gag s PRO 40 Ca 0.69 0.95 -0.17 0.00 0.04 0.00 0.00 61.00 62.51 3gag s PRO 40 Cb -0.46 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 31.99 3gag s PRO 40 CO 0.53 -0.38 0.37 -1.54 0.04 0.00 0.00 177.00 176.03 3gag s SER 41 N -3.23 -0.24 0.14 6.66 1.04 -1.26 -4.70 113.70 112.12 3gag s SER 41 Ca 0.59 -0.02 -0.33 0.00 0.48 0.00 0.00 55.95 56.68 3gag s SER 41 Cb -0.11 0.39 -0.12 0.00 0.10 0.00 0.00 66.02 66.28 3gag s SER 41 CO 0.36 -0.61 1.73 0.61 0.98 0.00 0.00 173.24 176.30 3gag n GLY 42 N 0.66 1.44 2.25 7.32 0.00 -1.26 -1.28 105.19 114.33 3gag n GLY 42 Ca -0.19 0.68 -0.16 0.00 0.00 0.00 0.00 46.02 46.35 3gag n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gag n ASN 43 N 4.50 -4.28 -2.97 1.61 3.02 -1.26 -1.99 115.26 113.90 3gag n ASN 43 Ca 0.17 0.34 -0.21 0.00 -0.03 0.00 0.00 54.58 54.85 3gag n ASN 43 Cb 0.33 -3.84 0.01 0.00 -0.61 0.00 0.00 39.78 35.68 3gag n ASN 43 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3gag n ASN 44 N -1.00 -5.14 0.21 6.41 5.15 -0.41 -4.89 115.26 115.59 3gag n ASN 44 Ca -0.16 -0.22 0.07 0.00 -0.60 0.00 0.00 54.58 53.66 3gag n ASN 44 Cb 0.54 -4.21 0.45 0.00 -0.53 0.00 0.00 39.78 36.03 3gag n ASN 44 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 3gag h PHE 45 N -0.94 0.00 -6.25 1.20 0.04 -1.60 -3.48 116.94 105.91 3gag h PHE 45 Ca -0.47 0.00 -0.44 0.00 2.80 0.00 0.00 57.97 59.86 3gag h PHE 45 Cb 1.33 0.00 0.08 0.00 2.20 0.00 0.00 35.95 39.55 3gag h PHE 45 CO 0.60 0.30 -0.94 1.04 -0.60 0.00 0.00 178.31 178.71 3gag n GLN 46 N -3.68 -1.43 -0.06 1.51 6.02 -1.26 -4.82 117.38 113.66 3gag n GLN 46 Ca -0.01 0.45 0.01 0.00 -0.01 0.00 0.00 57.00 57.44 3gag n GLN 46 Cb 0.41 -4.15 0.04 0.00 1.02 0.00 0.00 30.24 27.56 3gag n GLN 46 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3gag n PRO 47 N -4.22 1.26 -2.67 -1.09 -0.04 -1.26 -4.86 135.00 122.12 3gag n PRO 47 Ca -0.11 -0.30 -0.40 0.00 -0.04 0.00 0.00 63.50 62.65 3gag n PRO 47 Cb 0.60 -1.22 -0.05 0.00 -0.04 0.00 0.00 33.50 32.78 3gag n PRO 47 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3gag s TRP 48 N -1.67 3.85 -0.00 0.54 -2.14 -1.26 -1.40 118.94 116.85 3gag s TRP 48 Ca 0.05 1.85 0.04 0.00 2.66 0.00 0.00 56.10 60.71 3gag s TRP 48 Cb 0.03 -3.07 -0.01 0.00 -3.10 0.00 0.00 33.47 27.32 3gag s TRP 48 CO 0.03 0.15 -0.13 1.03 -2.66 0.00 0.00 176.95 175.36 3gag s ARG 49 N -1.30 1.06 -0.01 3.25 1.81 -0.37 -4.90 118.95 118.49 3gag s ARG 49 Ca 0.42 -0.50 0.03 0.00 -1.72 0.00 0.00 55.73 53.97 3gag s ARG 49 Cb -0.27 -1.03 -0.01 0.00 -0.45 0.00 0.00 34.95 33.19 3gag s ARG 49 CO 0.34 0.28 -0.11 0.08 -0.68 0.00 0.00 175.30 175.21 3gag s VAL 50 N -0.37 0.87 -0.13 3.52 1.01 -1.26 -0.44 120.40 123.59 3gag s VAL 50 Ca 0.05 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3gag s VAL 50 Cb -0.05 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.62 3gag s VAL 50 CO -0.00 0.25 -0.17 -0.69 0.00 0.00 0.00 175.10 174.48 3gag s VAL 51 N -0.24 1.72 -0.24 2.92 1.01 -0.44 -4.99 120.40 120.14 3gag s VAL 51 Ca 0.04 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 3gag s VAL 51 Cb -0.04 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 3gag s VAL 51 CO -0.00 0.48 0.04 -0.69 0.00 0.00 0.00 175.10 174.93 3gag s VAL 52 N 1.10 4.05 -0.33 2.92 1.01 -1.26 -0.64 120.40 127.26 3gag s VAL 52 Ca -0.03 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 3gag s VAL 52 Cb -0.14 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 3gag s VAL 52 CO -0.05 0.37 0.20 -0.69 0.00 0.00 0.00 175.10 174.93 3gag s VAL 53 N 1.54 5.01 -0.56 2.92 1.01 -0.07 -4.94 120.40 125.30 3gag s VAL 53 Ca 0.06 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.78 3gag s VAL 53 Cb -0.15 -3.57 0.16 0.00 0.00 0.00 0.00 36.38 32.82 3gag s VAL 53 CO 0.02 0.02 0.37 -0.75 0.00 0.00 0.00 175.10 174.76 3gag s LYS 54 N 1.68 1.83 -0.30 2.72 2.20 -1.26 -0.80 119.74 125.81 3gag s LYS 54 Ca 0.05 -2.70 -0.14 0.00 -0.36 0.00 0.00 55.97 52.82 3gag s LYS 54 Cb -0.17 -2.77 0.18 0.00 -1.51 0.00 0.00 37.83 33.55 3gag s LYS 54 CO 0.09 -1.25 1.08 1.21 -0.36 0.00 0.00 175.35 176.11 3gag s ASN 55 N -0.59 -0.40 0.36 1.43 3.84 -1.26 -5.06 114.94 113.25 3gag s ASN 55 Ca 0.24 0.28 0.06 0.00 0.21 0.00 0.00 52.86 53.65 3gag s ASN 55 Cb -0.10 1.35 0.70 0.00 -0.55 0.00 0.00 41.25 42.64 3gag s ASN 55 CO -0.11 -0.08 1.94 0.11 -2.79 0.00 0.00 177.10 176.17 3gag h LYS 56 N 7.92 0.51 -0.05 0.43 1.79 -1.94 -0.79 116.57 124.44 3gag h LYS 56 Ca -0.13 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 3gag h LYS 56 Cb 1.17 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.73 3gag h LYS 56 CO -0.09 0.48 0.03 -0.91 -1.08 0.00 0.00 179.45 177.88 3gag h ASN 57 N 0.51 0.06 -0.55 0.86 2.35 -1.97 -0.20 115.58 116.63 3gag h ASN 57 Ca 0.12 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 3gag h ASN 57 Cb 0.20 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 3gag h ASN 57 CO -0.00 0.06 0.11 0.11 -1.65 0.00 0.00 177.43 176.06 3gag h LYS 58 N 0.05 0.94 0.00 0.81 1.57 -1.93 -2.47 116.57 115.54 3gag h LYS 58 Ca 0.02 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 3gag h LYS 58 Cb 0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3gag h LYS 58 CO -0.00 0.86 -0.30 1.96 -0.57 0.00 0.00 179.45 181.39 3gag h GLN 59 N 0.89 0.00 -0.51 3.15 4.20 -0.71 0.03 115.11 122.17 3gag h GLN 59 Ca 0.19 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.77 3gag h GLN 59 Cb 0.37 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 3gag h GLN 59 CO 0.01 0.30 -0.16 0.93 -0.67 0.00 0.00 178.83 179.24 3gag h GLU 60 N 0.00 1.01 -0.33 1.46 4.39 -0.66 0.90 114.58 121.36 3gag h GLU 60 Ca -0.00 -0.41 -0.00 0.00 0.34 0.00 0.00 59.36 59.29 3gag h GLU 60 Cb 0.55 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 3gag h GLU 60 CO 0.04 1.09 0.19 -0.44 -1.16 0.00 0.00 179.01 178.73 3gag h ASP 61 N 0.88 0.40 -0.23 1.42 3.32 -0.96 -2.60 116.42 118.65 3gag h ASP 61 Ca 0.12 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3gag h ASP 61 Cb 0.74 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 3gag h ASP 61 CO 0.06 0.36 0.04 -0.07 -1.72 0.00 0.00 179.24 177.91 3gag h LEU 62 N 0.42 0.44 -1.18 1.55 3.38 -0.75 -2.56 115.31 116.61 3gag h LEU 62 Ca 0.12 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3gag h LEU 62 Cb 0.04 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3gag h LEU 62 CO -0.02 0.48 0.48 0.50 0.09 0.00 0.00 178.44 179.97 3gag h LYS 63 N 0.47 1.04 0.00 1.13 3.64 -0.44 -0.04 116.57 122.37 3gag h LYS 63 Ca 0.11 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3gag h LYS 63 Cb 0.24 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3gag h LYS 63 CO 0.00 0.72 -0.14 0.87 -2.27 0.00 0.00 179.45 178.63 3gag h LYS 64 N 1.06 0.00 -0.11 1.90 1.57 -1.22 -0.58 116.57 119.19 3gag h LYS 64 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3gag h LYS 64 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3gag h LYS 64 CO -0.06 0.14 0.00 1.28 -0.57 0.00 0.00 179.45 180.25 3gag n LEU 65 N -3.99 2.15 -1.16 2.94 4.77 -0.13 -4.08 117.00 117.50 3gag n LEU 65 Ca -0.02 -0.80 -0.06 0.00 -0.03 0.00 0.00 56.01 55.10 3gag n LEU 65 Cb 0.23 -0.06 0.14 0.00 -2.33 0.00 0.00 43.42 41.39 3gag n LEU 65 CO 0.33 0.40 0.32 0.00 -1.33 0.00 0.00 177.39 177.11 3gag n ALA 66 N 0.66 4.21 -3.04 -1.18 0.00 -0.40 -0.35 120.51 120.42 3gag n ALA 66 Ca 0.17 -3.48 -0.23 0.00 0.00 0.00 0.00 53.44 49.90 3gag n ALA 66 Cb 0.44 -0.37 0.04 0.00 0.00 0.00 0.00 19.45 19.56 3gag n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gag n ALA 67 N -0.97 -0.98 -2.39 0.00 0.00 -1.20 -2.10 120.51 112.87 3gag n ALA 67 Ca 0.29 0.29 -0.17 0.00 0.00 0.00 0.00 53.44 53.85 3gag n ALA 67 Cb 0.81 -3.90 -0.01 0.00 0.00 0.00 0.00 19.45 16.35 3gag n ALA 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gag n LEU 68 N -4.04 -1.59 -4.65 0.00 4.77 -0.37 -4.93 117.00 106.18 3gag n LEU 68 Ca -0.11 0.08 -0.43 0.00 -0.03 0.00 0.00 56.01 55.53 3gag n LEU 68 Cb 0.62 -2.60 -0.02 0.00 -2.33 0.00 0.00 43.42 39.09 3gag n LEU 68 CO 0.48 -0.20 1.19 -1.10 -1.33 0.00 0.00 177.39 176.43 3gag s GLN 69 N -5.00 4.12 0.51 3.23 -0.21 -0.89 -4.88 119.66 116.54 3gag s GLN 69 Ca 0.00 1.72 0.22 0.00 0.02 0.00 0.00 55.36 57.33 3gag s GLN 69 Cb 0.00 -3.86 1.34 0.00 1.00 0.00 0.00 33.01 31.49 3gag s GLN 69 CO 0.00 -0.87 2.08 -1.00 -2.12 0.00 0.00 175.29 173.38 3gag h PRO 70 N 8.95 0.00 0.00 2.91 0.13 -1.91 -2.74 132.00 139.34 3gag h PRO 70 Ca -0.30 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 3gag h PRO 70 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3gag h PRO 70 CO 0.98 0.12 -0.03 -0.56 -0.23 0.00 0.00 178.00 178.27 3gag h GLN 71 N 0.00 0.00 -0.65 0.86 -0.00 -1.90 -2.03 115.11 111.38 3gag h GLN 71 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.61 3gag h GLN 71 Cb 0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.71 3gag h GLN 71 CO 0.02 0.03 0.23 0.28 -0.00 0.00 0.00 178.83 179.39 3gag h VAL 72 N 0.00 1.23 0.00 1.86 2.07 -1.84 -2.06 116.25 117.51 3gag h VAL 72 Ca -0.00 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 3gag h VAL 72 Cb 0.09 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3gag h VAL 72 CO 0.00 0.30 -1.25 0.00 0.02 0.00 0.00 177.57 176.65 3gag n ALA 73 N -2.45 2.47 0.07 1.67 0.00 -0.79 -4.18 120.51 117.30 3gag n ALA 73 Ca 0.05 -0.34 0.07 0.00 0.00 0.00 0.00 53.44 53.23 3gag n ALA 73 Cb 0.19 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 3gag n ALA 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gag n THR 74 N -2.64 0.79 -1.65 0.00 -2.24 -1.03 -4.86 114.28 102.66 3gag n THR 74 Ca -0.03 -0.60 -0.37 0.00 -2.27 0.00 0.00 64.05 60.79 3gag n THR 74 Cb 0.60 -0.46 0.07 0.00 -2.10 0.00 0.00 70.33 68.44 3gag n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gag n ALA 75 N -2.26 0.73 0.03 6.98 0.00 -0.78 -3.73 120.51 121.47 3gag n ALA 75 Ca -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 53.44 53.37 3gag n ALA 75 Cb 0.66 -2.25 0.30 0.00 0.00 0.00 0.00 19.45 18.16 3gag n ALA 75 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3gag h SER 76 N 0.39 0.44 -5.01 0.00 0.02 -1.33 -3.46 113.55 104.60 3gag h SER 76 Ca -0.50 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 60.29 3gag h SER 76 Cb 1.35 -0.12 -0.17 0.00 0.14 0.00 0.00 62.40 63.60 3gag h SER 76 CO 0.52 0.56 0.06 0.00 -1.14 0.00 0.00 176.83 176.83 3gag s ALA 77 N -4.83 -1.43 -0.26 3.77 0.00 -0.86 -4.65 121.76 113.50 3gag s ALA 77 Ca -0.07 0.79 -0.02 0.00 0.00 0.00 0.00 51.96 52.67 3gag s ALA 77 Cb 0.15 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.56 3gag s ALA 77 CO 0.76 -0.45 -0.05 0.08 0.00 0.00 0.00 175.76 176.10 3gag s VAL 78 N -2.00 2.94 -0.26 0.00 1.01 0.02 -0.73 120.40 121.38 3gag s VAL 78 Ca -0.08 -1.05 -0.20 0.00 0.00 0.00 0.00 61.98 60.66 3gag s VAL 78 Cb -0.01 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 3gag s VAL 78 CO 0.02 0.16 0.62 -0.36 0.00 0.00 0.00 175.10 175.54 3gag s PHE 79 N 1.32 3.27 -0.32 5.22 0.40 -0.25 -0.90 117.98 126.73 3gag s PHE 79 Ca -0.00 0.77 -0.12 0.00 -0.60 0.00 0.00 56.93 56.98 3gag s PHE 79 Cb -0.17 -2.86 -0.03 0.00 0.51 0.00 0.00 43.02 40.48 3gag s PHE 79 CO -0.04 -0.34 0.22 -0.51 0.70 0.00 0.00 175.22 175.25 3gag s LEU 80 N 2.51 4.36 -0.21 -0.37 1.43 0.19 0.57 118.68 127.16 3gag s LEU 80 Ca 0.26 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 52.98 3gag s LEU 80 Cb -0.15 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 3gag s LEU 80 CO 0.09 -0.18 0.07 -0.76 0.23 0.00 0.00 176.35 175.80 3gag s LEU 81 N 1.73 3.68 0.28 1.79 1.43 0.18 -1.33 118.68 126.44 3gag s LEU 81 Ca 0.06 -0.04 0.09 0.00 -1.03 0.00 0.00 54.13 53.21 3gag s LEU 81 Cb -0.17 -1.96 -0.06 0.00 0.03 0.00 0.00 46.19 44.04 3gag s LEU 81 CO 0.11 0.08 -0.11 -0.36 0.23 0.00 0.00 176.35 176.30 3gag s PHE 82 N 0.93 2.07 -0.03 0.29 0.40 0.41 -0.82 117.98 121.23 3gag s PHE 82 Ca 0.04 -0.56 0.07 0.00 -0.60 0.00 0.00 56.93 55.89 3gag s PHE 82 Cb -0.14 -1.08 -0.02 0.00 0.51 0.00 0.00 43.02 42.29 3gag s PHE 82 CO 0.03 0.45 -0.25 0.20 0.70 0.00 0.00 175.22 176.35 3gag s GLY 83 N -3.47 1.29 -0.30 4.36 0.00 -0.27 -1.24 107.32 107.69 3gag s GLY 83 Ca 0.29 -1.10 -0.05 0.00 0.00 0.00 0.00 44.72 43.85 3gag s GLY 83 CO 0.12 -0.89 0.06 -0.35 0.00 0.00 0.00 173.10 172.04 3gag s ASP 84 N -0.58 5.04 0.51 1.64 -1.08 -0.49 -0.75 116.67 120.97 3gag s ASP 84 Ca 0.09 -0.95 0.18 0.00 -0.52 0.00 0.00 52.55 51.35 3gag s ASP 84 Cb -0.10 -1.82 1.27 0.00 -1.46 0.00 0.00 42.92 40.80 3gag s ASP 84 CO -0.00 -0.24 2.12 -0.33 0.52 0.00 0.00 175.17 177.24 3gag h GLU 85 N 8.17 0.00 0.00 4.34 5.08 -1.89 -1.42 114.58 128.86 3gag h GLU 85 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3gag h GLU 85 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3gag h GLU 85 CO 0.59 0.05 0.00 0.09 -1.00 0.00 0.00 179.01 178.75 3gag n ASN 86 N -4.37 0.00 0.25 1.42 3.02 -1.26 -2.55 115.26 111.78 3gag n ASN 86 Ca -0.03 0.36 0.14 0.00 -0.03 0.00 0.00 54.58 55.02 3gag n ASN 86 Cb 0.14 -0.42 0.57 0.00 -0.61 0.00 0.00 39.78 39.46 3gag n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gag h ALA 87 N 2.46 1.01 -0.35 5.41 0.00 -1.61 -3.32 119.26 122.86 3gag h ALA 87 Ca 0.00 -0.07 -0.71 0.00 0.00 0.00 0.00 54.91 54.13 3gag h ALA 87 Cb 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 3gag h ALA 87 CO 0.00 0.10 3.02 0.66 0.00 0.00 0.00 179.25 183.03 3gag n TYR 88 N -3.20 2.65 -3.72 0.00 4.01 -1.06 -4.87 117.16 110.98 3gag n TYR 88 Ca 0.01 -2.94 -0.38 0.00 -0.16 0.00 0.00 57.90 54.43 3gag n TYR 88 Cb 0.36 -2.18 -0.12 0.00 -0.31 0.00 0.00 39.34 37.09 3gag n TYR 88 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3gag s ASP 89 N 1.41 5.29 0.34 7.72 2.15 -1.25 -5.00 116.67 127.33 3gag s ASP 89 Ca 0.58 -0.65 0.13 0.00 0.43 0.00 0.00 52.55 53.04 3gag s ASP 89 Cb 0.17 -1.93 0.58 0.00 -0.30 0.00 0.00 42.92 41.45 3gag s ASP 89 CO -0.07 -0.20 1.73 -0.07 -0.17 0.00 0.00 175.17 176.39 3gag h LEU 90 N 8.28 0.00 -0.16 -1.34 3.38 -1.94 -1.83 115.31 121.71 3gag h LEU 90 Ca -0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3gag h LEU 90 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3gag h LEU 90 CO 0.61 0.47 0.05 0.74 0.09 0.00 0.00 178.44 180.40 3gag h THR 91 N 0.00 1.17 -0.55 0.22 2.02 -1.99 -2.37 112.91 111.41 3gag h THR 91 Ca -0.00 -0.52 0.02 0.00 0.77 0.00 0.00 66.41 66.68 3gag h THR 91 Cb 0.88 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 3gag h THR 91 CO 0.06 0.16 0.34 -0.25 0.37 0.00 0.00 175.52 176.20 3gag h TRP 92 N 0.08 0.63 -0.70 3.16 7.01 -1.92 -2.14 115.95 122.08 3gag h TRP 92 Ca 0.05 0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.15 3gag h TRP 92 Cb 0.20 -0.20 -0.06 0.00 -2.10 0.00 0.00 29.16 26.99 3gag h TRP 92 CO -0.01 0.36 0.37 2.35 -2.79 0.00 0.00 178.44 178.73 3gag h TRP 93 N 0.67 0.67 -0.19 2.65 7.01 -1.12 0.25 115.95 125.88 3gag h TRP 93 Ca 0.22 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.22 3gag h TRP 93 Cb 0.01 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 26.87 3gag h TRP 93 CO -0.06 0.28 0.01 1.96 -2.79 0.00 0.00 178.44 177.84 3gag h GLN 94 N 0.65 0.34 0.14 2.65 4.20 -1.24 -2.35 115.11 119.51 3gag h GLN 94 Ca 0.33 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.94 3gag h GLN 94 Cb 0.29 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3gag h GLN 94 CO -0.23 0.53 -0.15 0.93 -0.67 0.00 0.00 178.83 179.25 3gag h GLU 95 N 0.10 -0.31 -0.03 1.46 5.08 -0.62 -2.24 114.58 118.03 3gag h GLU 95 Ca 0.06 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3gag h GLU 95 Cb 0.37 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3gag h GLU 95 CO 0.01 -0.20 -0.04 0.35 -1.00 0.00 0.00 179.01 178.12 3gag h PHE 96 N -0.32 -0.10 0.00 4.33 3.57 -1.04 -0.91 116.94 122.48 3gag h PHE 96 Ca 0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3gag h PHE 96 Cb 0.31 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.09 3gag h PHE 96 CO -0.13 -0.06 0.00 0.45 -2.23 0.00 0.00 178.31 176.33 3gag h HIS 97 N -0.06 0.00 0.00 0.41 3.86 -1.34 -1.18 115.15 116.85 3gag h HIS 97 Ca 0.03 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.17 3gag h HIS 97 Cb 0.10 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 3gag h HIS 97 CO -0.13 0.00 -0.37 0.28 0.86 0.00 0.00 177.93 178.57 3gag h VAL 98 N 0.00 1.31 -0.89 2.45 2.07 -1.28 0.62 116.25 120.53 3gag h VAL 98 Ca 0.00 -2.12 0.15 0.00 0.82 0.00 0.00 66.70 65.55 3gag h VAL 98 Cb 0.83 2.61 -0.07 0.00 -1.52 0.00 0.00 31.29 33.13 3gag h VAL 98 CO 0.00 0.44 0.57 -0.61 0.02 0.00 0.00 177.57 178.00 3gag h GLN 99 N -1.00 0.63 -0.00 1.57 -0.00 -1.16 0.90 115.11 116.05 3gag h GLN 99 Ca -0.10 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.51 3gag h GLN 99 Cb 0.97 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 28.31 3gag h GLN 99 CO -0.06 0.41 -0.02 1.63 0.00 0.00 0.00 178.83 180.80 3gag n LYS 100 N -4.56 1.04 -1.81 1.69 4.76 -0.45 -4.92 118.16 113.92 3gag n LYS 100 Ca 0.18 -0.24 -0.04 0.00 -2.87 0.00 0.00 58.31 55.34 3gag n LYS 100 Cb 0.50 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.19 3gag n LYS 100 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gag n GLY 101 N 1.11 0.34 0.13 0.72 0.00 0.31 -4.94 105.19 102.85 3gag n GLY 101 Ca 0.21 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 3gag n GLY 101 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gag h ILE 102 N 0.00 1.03 -3.46 -0.61 1.08 -1.08 -3.49 117.51 110.97 3gag h ILE 102 Ca -0.08 -2.64 -0.04 0.00 -0.39 0.00 0.00 64.86 61.70 3gag h ILE 102 Cb 0.84 2.75 -0.10 0.00 -3.07 0.00 0.00 36.82 37.24 3gag h ILE 102 CO 0.11 0.83 -0.06 0.27 -0.69 0.00 0.00 178.15 178.61 3gag s ILE 103 N -2.60 0.03 0.00 -0.67 -4.36 -0.87 -5.03 121.20 107.70 3gag s ILE 103 Ca -0.13 -1.01 0.00 0.00 -0.26 0.00 0.00 60.65 59.26 3gag s ILE 103 Cb 0.06 -1.74 0.00 0.00 1.25 0.00 0.00 42.46 42.03 3gag s ILE 103 CO 0.85 -0.14 0.20 0.41 0.24 0.00 0.00 174.94 176.50 3gag n THR 104 N -0.32 0.00 0.00 8.37 -1.04 -1.26 -4.16 114.28 115.86 3gag n THR 104 Ca -0.08 0.53 0.00 0.00 -2.04 0.00 0.00 64.05 62.46 3gag n THR 104 Cb 0.62 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 3gag n THR 104 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3gag n GLU 107 N -0.29 0.00 -0.03 -2.82 0.00 -1.26 -4.98 120.64 111.26 3gag n GLU 107 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.02 3gag n GLU 107 Cb 0.00 -2.76 -0.10 0.00 0.00 0.00 0.00 31.44 28.57 3gag n GLU 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3gag h ALA 108 N 0.00 0.06 0.00 4.31 0.00 -1.96 -1.99 119.26 119.68 3gag h ALA 108 Ca 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 3gag h ALA 108 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3gag h ALA 108 CO 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 179.25 178.98 3gag h ALA 109 N 0.35 1.41 -0.10 0.00 0.00 -1.97 0.13 119.26 119.09 3gag h ALA 109 Ca -0.02 -0.28 -0.22 0.00 0.00 0.00 0.00 54.91 54.40 3gag h ALA 109 Cb 0.87 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.63 3gag h ALA 109 CO 0.04 0.38 -0.79 0.00 0.00 0.00 0.00 179.25 178.88 3gag h ALA 110 N 1.70 0.22 -0.47 0.00 0.00 -2.00 -2.57 119.26 116.14 3gag h ALA 110 Ca -0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 54.91 54.21 3gag h ALA 110 Cb 0.57 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3gag h ALA 110 CO 0.04 0.61 -0.06 -0.09 0.00 0.00 0.00 179.25 179.75 3gag h ARG 111 N 0.39 0.82 -0.73 0.00 2.43 -1.12 -2.56 114.38 113.60 3gag h ARG 111 Ca -0.07 -0.25 -0.05 0.00 -0.81 0.00 0.00 59.98 58.80 3gag h ARG 111 Cb 1.43 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.87 3gag h ARG 111 CO 0.16 0.86 0.26 0.00 -1.51 0.00 0.00 179.97 179.74 3gag h ALA 112 N 1.18 0.96 -0.63 2.80 0.00 -0.68 -0.82 119.26 122.07 3gag h ALA 112 Ca 0.14 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3gag h ALA 112 Cb 0.53 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3gag h ALA 112 CO 0.03 0.61 0.15 1.05 0.00 0.00 0.00 179.25 181.09 3gag h GLU 113 N 1.07 0.99 -0.55 0.00 9.09 -1.28 0.25 114.58 124.15 3gag h GLU 113 Ca 0.24 -0.22 -0.11 0.00 0.05 0.00 0.00 59.36 59.32 3gag h GLU 113 Cb 0.26 -0.14 -0.02 0.00 -1.65 0.00 0.00 28.75 27.20 3gag h GLU 113 CO -0.01 0.88 -0.08 -0.09 0.05 0.00 0.00 179.01 179.75 3gag h ARG 114 N 0.94 1.02 -0.33 1.06 1.12 -1.05 -0.99 114.38 116.16 3gag h ARG 114 Ca 0.20 -0.36 -0.05 0.00 -1.11 0.00 0.00 59.98 58.66 3gag h ARG 114 Cb 0.34 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.21 3gag h ARG 114 CO 0.00 1.05 0.01 0.82 -3.11 0.00 0.00 179.97 178.74 3gag h ILE 115 N 0.92 1.26 -0.75 1.20 2.04 -0.68 -1.37 117.51 120.12 3gag h ILE 115 Ca 0.15 -0.94 0.09 0.00 1.00 0.00 0.00 64.86 65.16 3gag h ILE 115 Cb 0.64 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 37.88 3gag h ILE 115 CO 0.04 0.31 0.41 -0.09 0.00 0.00 0.00 178.15 178.82 3gag h ARG 116 N 0.38 0.67 -0.07 2.37 2.43 -0.33 -0.91 114.38 118.92 3gag h ARG 116 Ca 0.09 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 3gag h ARG 116 Cb 0.43 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3gag h ARG 116 CO 0.02 0.45 -0.50 1.96 -1.51 0.00 0.00 179.97 180.38 3gag h GLN 117 N 0.69 0.19 -0.08 0.20 1.08 -0.93 -0.47 115.11 115.79 3gag h GLN 117 Ca 0.36 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.44 3gag h GLN 117 Cb 0.34 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 3gag h GLN 117 CO -0.25 0.65 0.02 -0.92 -0.95 0.00 0.00 178.83 177.39 3gag h TYR 118 N 0.16 0.14 0.00 2.96 3.20 -0.62 -2.78 116.97 120.02 3gag h TYR 118 Ca 0.01 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3gag h TYR 118 Cb 0.94 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.17 3gag h TYR 118 CO 0.01 0.32 -0.07 0.74 -1.64 0.00 0.00 178.16 177.52 3gag h PHE 119 N -0.08 0.00 -0.62 -3.82 0.04 -0.97 0.18 116.94 111.67 3gag h PHE 119 Ca 0.03 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.72 3gag h PHE 119 Cb 0.25 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 3gag h PHE 119 CO 0.01 0.07 0.09 -0.44 -0.60 0.00 0.00 178.31 177.44 3gag h ASP 120 N 0.00 0.97 0.11 2.17 3.32 -0.82 -1.01 116.42 121.17 3gag h ASP 120 Ca -0.00 -0.23 -0.27 0.00 0.02 0.00 0.00 57.03 56.55 3gag h ASP 120 Cb 0.18 -0.26 0.02 0.00 0.22 0.00 0.00 39.33 39.49 3gag h ASP 120 CO 0.01 0.98 -1.10 -0.07 -1.72 0.00 0.00 179.24 177.34 3gag h LEU 121 N 0.95 0.83 -6.14 1.55 3.38 -1.20 -3.38 115.31 111.31 3gag h LEU 121 Ca 0.19 -0.70 -0.60 0.00 0.09 0.00 0.00 57.88 56.86 3gag h LEU 121 Cb 0.43 -0.26 -0.42 0.00 0.09 0.00 0.00 40.66 40.50 3gag h LEU 121 CO 0.01 1.51 -0.62 1.41 0.09 0.00 0.00 178.44 180.84 3gag n HIS 122 N -3.81 3.48 0.28 1.13 8.25 -0.01 -4.92 115.22 119.63 3gag n HIS 122 Ca -0.11 -4.12 0.14 0.00 -0.26 0.00 0.00 57.72 53.37 3gag n HIS 122 Cb 0.91 -0.55 0.84 0.00 1.12 0.00 0.00 29.99 32.31 3gag n HIS 122 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3gag h PRO 123 N 4.10 0.00 0.00 -0.41 0.13 -1.38 -2.14 132.00 132.30 3gag h PRO 123 Ca 0.19 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.30 3gag h PRO 123 Cb 0.66 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 3gag h PRO 123 CO 0.82 0.05 -0.11 1.05 -0.23 0.00 0.00 178.00 179.58 3gag h GLU 124 N 0.00 0.00 0.00 0.86 9.09 -1.91 -2.14 114.58 120.48 3gag h GLU 124 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3gag h GLU 124 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.24 3gag h GLU 124 CO 0.01 0.11 0.00 -0.25 0.05 0.00 0.00 179.01 178.93 3gag n ASP 125 N -3.93 0.54 -0.89 3.06 9.92 -0.80 -1.35 116.55 123.09 3gag n ASP 125 Ca -0.02 0.63 0.07 0.00 -0.53 0.00 0.00 54.79 54.94 3gag n ASP 125 Cb 0.21 -0.74 0.23 0.00 -0.64 0.00 0.00 41.12 40.17 3gag n ASP 125 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 3gag n LYS 126 N -2.09 3.04 -0.19 -1.24 2.85 -0.80 -4.08 118.16 115.64 3gag n LYS 126 Ca 0.03 -2.49 0.00 0.00 -1.05 0.00 0.00 58.31 54.80 3gag n LYS 126 Cb 0.23 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 33.02 3gag n LYS 126 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3gag n GLU 127 N 0.25 3.44 -0.14 -1.58 1.02 -0.46 -4.86 120.64 118.32 3gag n GLU 127 Ca 0.18 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.38 3gag n GLU 127 Cb 0.68 0.00 0.37 0.00 -0.02 0.00 0.00 31.44 32.47 3gag n GLU 127 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3gag h THR 128 N 0.10 1.04 0.00 2.62 1.35 -1.94 -1.53 112.91 114.54 3gag h THR 128 Ca 0.00 -0.24 0.01 0.00 -0.55 0.00 0.00 66.41 65.63 3gag h THR 128 Cb 0.00 0.28 -0.02 0.00 -1.73 0.00 0.00 68.15 66.68 3gag h THR 128 CO 0.00 0.13 -0.08 1.56 -0.25 0.00 0.00 175.52 176.87 3gag h GLN 129 N 0.70 -0.14 -0.38 4.72 4.20 -1.94 0.58 115.11 122.86 3gag h GLN 129 Ca 0.27 0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.04 3gag h GLN 129 Cb 0.19 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.95 3gag h GLN 129 CO -0.08 -0.09 0.11 0.78 -0.67 0.00 0.00 178.83 178.87 3gag h GLY 130 N -0.15 0.47 0.63 3.46 0.00 -0.53 -2.30 103.07 104.64 3gag h GLY 130 Ca 0.03 -0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.38 3gag h GLY 130 CO -0.08 0.00 0.44 1.41 0.00 0.00 0.00 176.54 178.31 3gag h LEU 131 N 0.25 0.65 -0.65 3.11 3.38 -0.92 -1.06 115.31 120.07 3gag h LEU 131 Ca 0.18 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3gag h LEU 131 Cb 0.18 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3gag h LEU 131 CO -0.20 0.40 0.32 0.03 0.09 0.00 0.00 178.44 179.07 3gag h ARG 132 N 0.78 0.94 0.41 1.13 2.47 -0.36 0.15 114.38 119.90 3gag h ARG 132 Ca 0.35 -0.14 -0.02 0.00 -1.26 0.00 0.00 59.98 58.91 3gag h ARG 132 Cb 0.25 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 3gag h ARG 132 CO -0.21 0.75 -0.20 1.25 0.56 0.00 0.00 179.97 182.12 3gag h LEU 133 N 0.90 -0.47 -0.21 3.04 5.85 -1.23 -1.19 115.31 121.99 3gag h LEU 133 Ca 0.22 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.89 3gag h LEU 133 Cb 0.12 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 3gag h LEU 133 CO -0.03 -0.05 -0.09 0.44 -0.34 0.00 0.00 178.44 178.37 3gag h ASP 134 N -1.00 -0.31 1.06 1.25 3.32 -1.14 -0.78 116.42 118.81 3gag h ASP 134 Ca -0.06 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 3gag h ASP 134 Cb 0.54 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3gag h ASP 134 CO 0.09 -0.12 -0.35 0.58 -1.72 0.00 0.00 179.24 177.72 3gag h VAL 135 N -0.06 0.76 -0.61 -1.35 2.07 -0.81 -2.68 116.25 113.57 3gag h VAL 135 Ca 0.11 -1.57 -0.07 0.00 0.82 0.00 0.00 66.70 65.99 3gag h VAL 135 Cb 0.23 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 3gag h VAL 135 CO -0.25 0.35 0.08 1.23 0.02 0.00 0.00 177.57 178.99 3gag h GLY 136 N 2.47 1.07 0.94 2.17 0.00 -0.60 0.20 103.07 109.32 3gag h GLY 136 Ca -0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.60 3gag h GLY 136 CO 0.05 0.65 0.16 1.41 0.00 0.00 0.00 176.54 178.81 3gag h LEU 137 N 0.93 0.53 -0.38 3.11 3.38 -0.84 -2.57 115.31 119.46 3gag h LEU 137 Ca 0.19 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3gag h LEU 137 Cb 0.43 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3gag h LEU 137 CO 0.01 0.54 0.15 0.15 0.09 0.00 0.00 178.44 179.39 3gag h PHE 138 N 0.48 0.27 0.00 1.13 3.04 -1.27 -2.15 116.94 118.45 3gag h PHE 138 Ca 0.13 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.10 3gag h PHE 138 Cb 0.17 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.62 3gag h PHE 138 CO -0.00 0.12 0.00 0.00 -2.02 0.00 0.00 178.31 176.40 3gag n ALA 139 N -2.33 1.30 0.00 2.41 0.00 0.68 -0.55 120.51 122.02 3gag n ALA 139 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3gag n ALA 139 Cb 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3gag n ALA 139 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gag n ASN 141 N 0.68 0.00 -1.14 0.00 5.15 -0.81 -4.71 115.26 114.44 3gag n ASN 141 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3gag n ASN 141 Cb 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.27 3gag n ASN 141 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 3gag n LEU 142 N 0.00 0.00 0.00 1.20 7.94 0.29 -0.93 117.00 125.50 3gag n LEU 142 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3gag n LEU 142 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3gag n LEU 142 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 3gag n GLN 144 N 1.04 0.00 -0.26 1.96 1.13 -1.26 -0.86 117.38 119.13 3gag n GLN 144 Ca 0.00 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.00 3gag n GLN 144 Cb 0.00 0.00 0.05 0.00 0.11 0.00 0.00 30.24 30.40 3gag n GLN 144 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3gag h VAL 145 N 0.00 1.23 -0.14 5.09 2.07 -1.44 -2.82 116.25 120.24 3gag h VAL 145 Ca 0.00 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3gag h VAL 145 Cb 0.00 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 3gag h VAL 145 CO 0.00 0.26 0.04 -0.37 0.02 0.00 0.00 177.57 177.52 3gag h VAL 146 N 0.98 1.07 0.00 2.57 -1.51 -1.26 -1.43 116.25 116.67 3gag h VAL 146 Ca 0.25 -0.23 -0.01 0.00 -1.23 0.00 0.00 66.70 65.48 3gag h VAL 146 Cb 0.08 0.92 -0.00 0.00 -2.13 0.00 0.00 31.29 30.16 3gag h VAL 146 CO -0.03 0.08 -0.06 0.03 -1.23 0.00 0.00 177.57 176.36 3gag h ARG 147 N 0.19 0.00 -0.42 5.19 3.08 -1.55 -2.51 114.38 118.36 3gag h ARG 147 Ca 0.05 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.12 3gag h ARG 147 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3gag h ARG 147 CO -0.00 0.06 0.28 0.28 -1.07 0.00 0.00 179.97 179.52 3gag h VAL 148 N 0.00 1.06 -0.16 2.04 2.07 -1.19 -2.31 116.25 117.76 3gag h VAL 148 Ca -0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3gag h VAL 148 Cb 0.71 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3gag h VAL 148 CO 0.01 0.09 0.00 -1.22 0.02 0.00 0.00 177.57 176.47 3gag n TYR 149 N -4.48 0.19 -0.36 1.57 4.01 -1.00 -4.92 117.16 112.16 3gag n TYR 149 Ca 0.04 -0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 3gag n TYR 149 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 3gag n TYR 149 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gag n GLY 150 N 1.25 0.80 3.92 2.72 0.00 -0.87 -5.07 105.19 107.95 3gag n GLY 150 Ca 0.17 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 3gag n GLY 150 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gag s TYR 151 N -2.00 2.78 0.31 1.61 1.51 -0.98 -4.80 117.35 115.78 3gag s TYR 151 Ca 0.00 -0.43 0.03 0.00 -1.01 0.00 0.00 57.07 55.66 3gag s TYR 151 Cb 0.00 -2.20 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 3gag s TYR 151 CO 0.00 -0.19 0.15 -0.51 -1.11 0.00 0.00 175.55 173.89 3gag s ASP 152 N -4.19 1.62 0.30 2.29 1.01 0.41 -3.54 116.67 114.55 3gag s ASP 152 Ca 0.50 -1.54 -0.12 0.00 0.71 0.00 0.00 52.55 52.10 3gag s ASP 152 Cb -0.06 0.35 0.01 0.00 1.01 0.00 0.00 42.92 44.23 3gag s ASP 152 CO 0.30 -0.86 0.56 -0.94 0.21 0.00 0.00 175.17 174.43 3gag s SER 153 N -3.39 0.15 -0.07 0.27 1.04 -1.26 -1.35 113.70 109.08 3gag s SER 153 Ca 0.35 -1.07 -0.03 0.00 0.48 0.00 0.00 55.95 55.69 3gag s SER 153 Cb 0.05 0.67 0.04 0.00 0.10 0.00 0.00 66.02 66.88 3gag s SER 153 CO 0.17 -1.30 0.15 0.54 0.98 0.00 0.00 173.24 173.78 3gag s VAL 154 N -3.48 -0.18 0.98 5.02 0.11 -1.13 -1.43 120.40 120.29 3gag s VAL 154 Ca 0.22 0.30 -0.16 0.00 -2.93 0.00 0.00 61.98 59.41 3gag s VAL 154 Cb -0.02 -0.26 0.20 0.00 -1.53 0.00 0.00 36.38 34.77 3gag s VAL 154 CO 0.12 0.13 1.27 -2.16 -3.33 0.00 0.00 175.10 171.13 3gag s PRO 155 N 1.90 0.49 0.00 1.54 0.04 -1.26 -3.84 135.00 133.87 3gag s PRO 155 Ca -0.01 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 60.74 3gag s PRO 155 Cb -0.12 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3gag s PRO 155 CO -0.06 -2.53 0.00 0.54 0.04 0.00 0.00 177.00 174.99 3gag n ARG 157 N -3.88 0.00 -0.97 4.56 1.74 -1.26 -5.02 116.66 111.82 3gag n ARG 157 Ca 0.14 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.96 3gag n ARG 157 Cb 0.60 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.99 3gag n ARG 157 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gag n GLY 158 N 0.00 3.45 3.31 -0.13 0.00 -1.26 -4.77 105.19 105.79 3gag n GLY 158 Ca 0.00 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 3gag n GLY 158 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gag s VAL 159 N 2.51 0.06 -1.03 1.61 -7.23 -1.26 -4.43 120.40 110.64 3gag s VAL 159 Ca 0.54 -1.57 -0.14 0.00 -1.81 0.00 0.00 61.98 59.00 3gag s VAL 159 Cb 0.16 -1.99 0.19 0.00 0.56 0.00 0.00 36.38 35.30 3gag s VAL 159 CO -0.04 -0.27 1.14 -0.62 -0.31 0.00 0.00 175.10 175.00 3gag s ASP 160 N -3.01 6.93 0.45 4.85 -1.08 0.53 -4.85 116.67 120.48 3gag s ASP 160 Ca 0.22 -2.77 0.12 0.00 -0.52 0.00 0.00 52.55 49.60 3gag s ASP 160 Cb 0.04 -2.32 1.01 0.00 -1.46 0.00 0.00 42.92 40.19 3gag s ASP 160 CO 0.03 -0.71 2.05 -0.26 0.52 0.00 0.00 175.17 176.79 3gag h PHE 161 N 7.69 0.18 -0.11 -5.34 0.04 -1.90 -1.40 116.94 116.09 3gag h PHE 161 Ca 0.20 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.96 3gag h PHE 161 Cb 0.95 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.04 3gag h PHE 161 CO 1.04 0.19 0.06 -0.44 -0.60 0.00 0.00 178.31 178.56 3gag h ASP 162 N 0.18 0.15 -0.62 2.17 3.32 -1.99 -1.23 116.42 118.40 3gag h ASP 162 Ca 0.05 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 3gag h ASP 162 Cb 0.13 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3gag h ASP 162 CO 0.00 0.20 0.20 0.00 -1.72 0.00 0.00 179.24 177.92 3gag h ALA 163 N 0.95 1.12 -0.19 3.45 0.00 -1.85 -2.18 119.26 120.56 3gag h ALA 163 Ca 0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3gag h ALA 163 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3gag h ALA 163 CO -0.01 0.60 0.11 0.82 0.00 0.00 0.00 179.25 180.77 3gag h ILE 164 N 0.96 1.11 -0.49 0.00 2.04 -1.06 0.14 117.51 120.21 3gag h ILE 164 Ca 0.21 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.81 3gag h ILE 164 Cb 0.28 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 3gag h ILE 164 CO -0.01 0.10 0.25 0.11 0.00 0.00 0.00 178.15 178.61 3gag h LYS 165 N 0.21 0.48 -0.78 2.37 1.57 -1.05 -0.53 116.57 118.83 3gag h LYS 165 Ca 0.07 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3gag h LYS 165 Cb 0.07 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 3gag h LYS 165 CO -0.01 0.32 0.35 1.15 -0.57 0.00 0.00 179.45 180.69 3gag h THR 166 N 0.50 1.25 -0.12 -0.16 2.02 -1.16 -0.20 112.91 115.04 3gag h THR 166 Ca 0.21 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.59 3gag h THR 166 Cb 0.11 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3gag h THR 166 CO -0.15 0.31 -0.20 0.22 0.37 0.00 0.00 175.52 176.07 3gag h TYR 167 N 1.12 0.21 -0.31 3.16 3.20 0.28 -2.99 116.97 121.65 3gag h TYR 167 Ca 0.27 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3gag h TYR 167 Cb 0.16 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.37 3gag h TYR 167 CO 0.01 0.40 0.00 1.28 -1.64 0.00 0.00 178.16 178.21 3gag n LEU 168 N -4.22 3.01 -2.30 2.82 4.77 -0.30 -5.09 117.00 115.68 3gag n LEU 168 Ca -0.01 -1.55 0.00 0.00 -0.03 0.00 0.00 56.01 54.42 3gag n LEU 168 Cb 0.31 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3gag n LEU 168 CO 0.39 0.67 -0.48 -0.90 -1.33 0.00 0.00 177.39 175.73 3gag n ASP 169 N 1.04 -9.26 -4.84 -1.43 3.85 -0.11 -5.04 116.55 100.75 3gag n ASP 169 Ca 0.15 1.77 -0.37 0.00 -0.71 0.00 0.00 54.79 55.62 3gag n ASP 169 Cb 0.49 -5.14 -0.06 0.00 -1.35 0.00 0.00 41.12 35.05 3gag n ASP 169 CO 0.00 0.00 0.00 -2.84 -1.01 0.00 0.00 177.20 173.35 3gag s PRO 171 N -0.57 3.70 0.43 0.11 0.02 -1.26 -5.05 135.00 132.38 3gag s PRO 171 Ca 0.00 0.02 0.10 0.00 0.02 0.00 0.00 61.00 61.14 3gag s PRO 171 Cb 0.00 -3.24 0.93 0.00 0.02 0.00 0.00 34.50 32.21 3gag s PRO 171 CO 0.00 0.67 2.02 -2.95 -0.33 0.00 0.00 177.00 176.41 3gag h ASN 172 N 5.21 0.25 -0.66 2.53 -1.07 -2.04 -2.80 115.58 117.00 3gag h ASN 172 Ca -0.52 -0.02 0.01 0.00 0.07 0.00 0.00 56.30 55.84 3gag h ASN 172 Cb 1.21 -0.06 -0.03 0.00 -2.07 0.00 0.00 38.32 37.37 3gag h ASN 172 CO 0.62 0.27 0.43 1.23 0.07 0.00 0.00 177.43 180.06 3gag h GLY 173 N 0.49 0.93 -4.90 9.14 0.00 -2.04 -3.43 103.07 103.26 3gag h GLY 173 Ca 0.07 -0.34 -0.53 0.00 0.00 0.00 0.00 47.33 46.53 3gag h GLY 173 CO -0.00 0.32 1.00 -0.98 0.00 0.00 0.00 176.54 176.88 3gag s TRP 174 N -6.14 2.48 -0.17 5.60 0.52 -1.06 -4.60 118.94 115.57 3gag s TRP 174 Ca -0.13 0.31 -0.20 0.00 0.02 0.00 0.00 56.10 56.11 3gag s TRP 174 Cb 0.14 -3.99 -0.03 0.00 -1.15 0.00 0.00 33.47 28.43 3gag s TRP 174 CO 0.76 -3.96 0.56 -1.83 0.02 0.00 0.00 176.95 172.51 3gag s GLU 175 N 2.41 4.25 0.14 4.98 -1.05 0.08 -4.89 118.70 124.62 3gag s GLU 175 Ca 0.74 0.53 -0.31 0.00 -0.15 0.00 0.00 54.97 55.79 3gag s GLU 175 Cb -0.41 -3.53 -0.08 0.00 -0.44 0.00 0.00 34.13 29.67 3gag s GLU 175 CO 0.33 -0.10 1.30 -1.25 0.95 0.00 0.00 175.26 176.49 3gag s PRO 176 N 1.44 4.39 -0.12 -4.83 0.04 -1.26 -1.12 135.00 133.54 3gag s PRO 176 Ca 0.27 1.98 -0.08 0.00 0.04 0.00 0.00 61.00 63.21 3gag s PRO 176 Cb -0.16 -3.25 -0.06 0.00 0.04 0.00 0.00 34.50 31.08 3gag s PRO 176 CO 0.11 -0.29 -0.20 -0.89 0.04 0.00 0.00 177.00 175.77 3gag n ILE 177 N 3.33 1.01 -1.45 0.56 2.08 0.00 -4.91 119.36 119.98 3gag n ILE 177 Ca 0.08 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.33 3gag n ILE 177 Cb 0.44 -1.80 0.00 0.00 -0.75 0.00 0.00 39.64 37.52 3gag n ILE 177 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 3gag n LEU 178 N -3.80 0.00 0.00 1.39 7.94 -0.99 -4.87 117.00 116.67 3gag n LEU 178 Ca -0.23 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.67 3gag n LEU 178 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 3gag n LEU 178 CO 0.05 0.00 0.00 -0.11 -1.11 0.00 0.00 177.39 176.22 3gag n LEU 180 N 0.00 0.00 -4.76 -1.96 7.94 0.19 -0.65 117.00 117.77 3gag n LEU 180 Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 3gag n LEU 180 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 3gag n LEU 180 CO 0.00 0.00 1.14 -2.84 -1.11 0.00 0.00 177.39 174.58 3gag s PRO 181 N 0.00 4.19 -0.05 1.96 0.02 -1.25 -1.09 135.00 138.77 3gag s PRO 181 Ca 0.00 2.46 0.02 0.00 0.02 0.00 0.00 61.00 63.50 3gag s PRO 181 Cb 0.00 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.50 3gag s PRO 181 CO 0.00 -0.48 -0.11 0.08 -0.33 0.00 0.00 177.00 176.15 3gag s VAL 182 N -0.54 1.04 0.06 3.83 1.01 0.10 -2.83 120.40 123.06 3gag s VAL 182 Ca 0.57 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 3gag s VAL 182 Cb -0.45 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.01 3gag s VAL 182 CO 0.53 0.33 0.28 0.61 0.00 0.00 0.00 175.10 176.84 3gag n GLY 183 N 3.64 1.17 3.65 4.51 0.00 -0.46 -1.06 105.19 116.64 3gag n GLY 183 Ca -0.22 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 3gag n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gag s LYS 184 N -2.02 4.17 0.22 1.61 -0.14 -1.26 -0.45 119.74 121.88 3gag s LYS 184 Ca 0.06 0.52 -0.30 0.00 -1.36 0.00 0.00 55.97 54.89 3gag s LYS 184 Cb -0.01 -3.59 -0.10 0.00 -1.68 0.00 0.00 37.83 32.45 3gag s LYS 184 CO 0.02 -0.26 1.41 0.00 -0.76 0.00 0.00 175.35 175.77 3gag s ALA 185 N 1.98 3.61 -0.15 5.17 0.00 -1.26 -0.63 121.76 130.48 3gag s ALA 185 Ca 0.26 1.26 0.19 0.00 0.00 0.00 0.00 51.96 53.68 3gag s ALA 185 Cb -0.16 -3.54 -0.13 0.00 0.00 0.00 0.00 23.12 19.29 3gag s ALA 185 CO 0.10 -0.68 0.78 1.28 0.00 0.00 0.00 175.76 177.24 3gag n LEU 186 N 2.67 0.66 -3.83 0.00 4.77 0.46 -4.79 117.00 116.95 3gag n LEU 186 Ca 0.08 0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 56.20 3gag n LEU 186 Cb 0.41 0.05 -0.15 0.00 -2.33 0.00 0.00 43.42 41.40 3gag n LEU 186 CO 0.60 0.04 -0.36 -1.58 -1.33 0.00 0.00 177.39 174.76 3gag s GLN 187 N -3.12 -0.00 0.74 3.23 0.74 -1.23 -5.06 119.66 114.95 3gag s GLN 187 Ca -0.03 0.08 -0.12 0.00 0.05 0.00 0.00 55.36 55.33 3gag s GLN 187 Cb 0.10 -0.12 0.04 0.00 1.10 0.00 0.00 33.01 34.12 3gag s GLN 187 CO 0.82 -0.07 1.10 0.00 -0.55 0.00 0.00 175.29 176.59 3gag s ALA 188 N 0.46 2.31 1.09 1.58 0.00 -1.26 -4.68 121.76 121.26 3gag s ALA 188 Ca -0.04 0.36 -0.13 0.00 0.00 0.00 0.00 51.96 52.16 3gag s ALA 188 Cb -0.06 -3.29 0.24 0.00 0.00 0.00 0.00 23.12 20.01 3gag s ALA 188 CO -0.01 -1.63 1.06 0.20 0.00 0.00 0.00 175.76 175.39 3gag s GLY 189 N -3.12 1.55 0.49 0.00 0.00 -1.26 -5.00 107.32 99.99 3gag s GLY 189 Ca 0.63 -0.32 -0.13 0.00 0.00 0.00 0.00 44.72 44.90 3gag s GLY 189 CO 0.51 0.36 0.91 -1.31 0.00 0.00 0.00 173.10 173.57 3gag s ASN 190 N -3.09 6.50 0.56 1.64 0.01 -1.26 -5.03 114.94 114.27 3gag s ASN 190 Ca 0.67 1.35 -0.20 0.00 -0.71 0.00 0.00 52.86 53.97 3gag s ASN 190 Cb -0.21 -2.42 -0.05 0.00 0.41 0.00 0.00 41.25 38.97 3gag s ASN 190 CO 0.61 -0.57 1.13 -2.65 -1.51 0.00 0.00 177.10 174.11 3gag n PRO 191 N -1.72 1.25 -2.16 -0.60 -0.02 -1.26 -4.89 135.00 125.60 3gag n PRO 191 Ca 0.05 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 3gag n PRO 191 Cb 0.54 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 3gag n PRO 191 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3gag s HIS 192 N -1.39 3.20 -0.20 6.00 3.76 -1.26 -5.01 115.29 120.39 3gag s HIS 192 Ca 0.73 1.14 -0.02 0.00 -0.15 0.00 0.00 55.06 56.76 3gag s HIS 192 Cb -0.43 -3.67 0.00 0.00 1.11 0.00 0.00 32.58 29.59 3gag s HIS 192 CO 0.49 -2.14 -0.10 0.08 -0.85 0.00 0.00 174.74 172.22 3gag s VAL 193 N 0.19 2.92 0.03 -0.90 1.01 -1.26 -5.11 120.40 117.29 3gag s VAL 193 Ca 0.58 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 3gag s VAL 193 Cb -0.38 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 33.70 3gag s VAL 193 CO 0.38 0.47 0.15 -0.13 0.00 0.00 0.00 175.10 175.97 3gag s ARG 194 N 1.34 0.62 0.45 2.72 1.81 -1.26 -5.13 118.95 119.50 3gag s ARG 194 Ca 0.04 -0.64 -0.25 0.00 -1.72 0.00 0.00 55.73 53.16 3gag s ARG 194 Cb -0.14 0.25 -0.08 0.00 -0.45 0.00 0.00 34.95 34.54 3gag s ARG 194 CO -0.06 -0.17 1.37 0.15 -0.68 0.00 0.00 175.30 175.92 3gag s LYS 195 N -2.41 3.70 0.81 3.54 1.02 -1.26 -4.98 119.74 120.16 3gag s LYS 195 Ca -0.06 2.30 -0.10 0.00 0.02 0.00 0.00 55.97 58.12 3gag s LYS 195 Cb -0.02 -2.62 0.08 0.00 -0.52 0.00 0.00 37.83 34.75 3gag s LYS 195 CO -0.03 -0.77 1.10 -1.54 -0.92 0.00 0.00 175.35 173.19 3gag s SER 196 N -0.66 4.08 0.22 2.83 1.04 -1.26 -4.90 113.70 115.05 3gag s SER 196 Ca 0.61 1.87 -0.08 0.00 0.48 0.00 0.00 55.95 58.83 3gag s SER 196 Cb -0.41 -2.50 0.31 0.00 0.10 0.00 0.00 66.02 63.52 3gag s SER 196 CO 0.52 -2.32 1.76 0.58 0.98 0.00 0.00 173.24 174.77 3gag h VAL 197 N -1.32 0.82 0.00 5.02 2.07 -1.96 -0.81 116.25 120.06 3gag h VAL 197 Ca -0.44 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3gag h VAL 197 Cb 1.24 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3gag h VAL 197 CO 0.50 0.10 -0.01 0.00 0.02 0.00 0.00 177.57 178.17 3gag h ALA 198 N 1.42 1.27 0.00 1.67 0.00 -1.92 -0.00 119.26 121.70 3gag h ALA 198 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3gag h ALA 198 Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3gag h ALA 198 CO -0.28 0.01 -0.29 0.39 0.00 0.00 0.00 179.25 179.08 3gag n GLU 199 N -3.48 0.09 0.00 0.00 1.02 -0.31 -4.29 120.64 113.66 3gag n GLU 199 Ca -0.03 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3gag n GLU 199 Cb 0.10 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 3gag n GLU 199 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 3gag n PHE 200 N -1.72 0.00 -4.19 -0.32 1.16 -0.65 -4.99 117.46 106.75 3gag n PHE 200 Ca 0.06 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.46 3gag n PHE 200 Cb 0.37 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.12 3gag n PHE 200 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3gag s ALA 201 N -0.28 1.04 0.02 1.98 0.00 -0.11 -5.11 121.76 119.30 3gag s ALA 201 Ca 0.00 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.10 3gag s ALA 201 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 3gag s ALA 201 CO 0.00 0.14 -0.11 -1.83 0.00 0.00 0.00 175.76 173.96 3gag s GLU 202 N -1.52 0.80 -0.18 0.00 -1.05 -1.26 -4.58 118.70 110.90 3gag s GLU 202 Ca -0.03 -0.55 -0.02 0.00 -0.15 0.00 0.00 54.97 54.22 3gag s GLU 202 Cb -0.09 -0.76 -0.01 0.00 -0.44 0.00 0.00 34.13 32.82 3gag s GLU 202 CO 0.02 0.20 -0.09 0.42 0.95 0.00 0.00 175.26 176.76 3gag s ILE 203 N -0.60 3.17 -0.21 1.83 1.01 -1.26 -5.11 121.20 120.03 3gag s ILE 203 Ca 0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 3gag s ILE 203 Cb -0.06 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 3gag s ILE 203 CO 0.00 0.47 -0.03 -0.63 0.00 0.00 0.00 174.94 174.76 3gag s ILE 204 N 1.01 3.59 -0.70 2.92 1.01 -1.26 -5.31 121.20 122.47 3gag s ILE 204 Ca -0.00 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.27 3gag s ILE 204 Cb -0.15 -2.62 0.04 0.00 0.01 0.00 0.00 42.46 39.74 3gag s ILE 204 CO -0.01 0.43 0.68 -0.62 0.00 0.00 0.00 174.94 175.42