#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3m h LEU 1 N 0.00 0.27 -8.29 0.00 6.46 -1.96 -3.45 115.31 108.34 3m3m h LEU 1 Ca 0.00 -0.18 -0.48 0.00 -0.12 0.00 0.00 57.88 57.10 3m3m h LEU 1 Cb 0.00 -0.08 -0.27 0.00 -0.73 0.00 0.00 40.66 39.58 3m3m h LEU 1 CO 0.00 0.89 -0.81 -0.31 -0.62 0.00 0.00 178.44 177.59 3m3m s TYR 2 N -3.55 1.31 -0.08 1.25 2.02 -1.24 -3.70 117.35 113.36 3m3m s TYR 2 Ca -0.04 -0.29 0.02 0.00 -0.37 0.00 0.00 57.07 56.39 3m3m s TYR 2 Cb 0.11 -0.81 0.01 0.00 -0.40 0.00 0.00 41.96 40.87 3m3m s TYR 2 CO 0.81 0.01 -0.13 0.21 -1.57 0.00 0.00 175.55 174.88 3m3m s LYS 3 N -0.70 1.85 -0.16 -0.62 2.20 -0.63 -0.57 119.74 121.11 3m3m s LYS 3 Ca 0.04 -0.44 -0.05 0.00 -0.36 0.00 0.00 55.97 55.16 3m3m s LYS 3 Cb -0.07 -1.58 -0.03 0.00 -1.51 0.00 0.00 37.83 34.64 3m3m s LYS 3 CO 0.00 -0.03 -0.01 0.08 -0.36 0.00 0.00 175.35 175.03 3m3m s VAL 4 N 0.88 4.14 -0.22 4.02 1.01 -0.02 0.01 120.40 130.22 3m3m s VAL 4 Ca -0.10 -0.27 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 3m3m s VAL 4 Cb -0.15 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 3m3m s VAL 4 CO 0.01 0.49 0.43 -0.31 0.00 0.00 0.00 175.10 175.72 3m3m s TYR 5 N 0.35 3.34 0.14 5.22 2.02 -0.09 -0.22 117.35 128.11 3m3m s TYR 5 Ca -0.02 0.62 -0.24 0.00 -0.37 0.00 0.00 57.07 57.06 3m3m s TYR 5 Cb -0.14 -2.59 0.08 0.00 -0.40 0.00 0.00 41.96 38.92 3m3m s TYR 5 CO 0.02 -0.09 1.07 0.20 -1.57 0.00 0.00 175.55 175.18 3m3m s GLY 6 N 1.20 -0.05 -0.12 0.71 0.00 -0.66 -2.27 107.32 106.14 3m3m s GLY 6 Ca 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 44.72 44.83 3m3m s GLY 6 CO 0.09 1.95 -0.07 -0.35 0.00 0.00 0.00 173.10 174.72 3m3m s ASP 7 N -3.30 2.21 0.57 1.64 -1.08 -1.26 -0.64 116.67 114.81 3m3m s ASP 7 Ca 0.20 -0.33 0.26 0.00 -0.52 0.00 0.00 52.55 52.16 3m3m s ASP 7 Cb -0.01 -0.82 1.57 0.00 -1.46 0.00 0.00 42.92 42.20 3m3m s ASP 7 CO 0.03 -0.13 2.13 1.88 0.52 0.00 0.00 175.17 179.60 3m3m h TYR 8 N 8.18 0.00 0.00 -5.34 0.05 -1.94 -0.62 116.97 117.30 3m3m h TYR 8 Ca -0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.50 3m3m h TYR 8 Cb 1.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.87 3m3m h TYR 8 CO 0.47 0.00 0.00 0.54 -1.05 0.00 0.00 178.16 178.12 3m3m n ARG 9 N -4.05 0.09 -2.84 4.88 1.74 -1.26 -4.47 116.66 110.75 3m3m n ARG 9 Ca 0.01 0.23 -0.42 0.00 -0.77 0.00 0.00 57.85 56.91 3m3m n ARG 9 Cb 0.26 -1.64 -0.04 0.00 -1.02 0.00 0.00 32.46 30.03 3m3m n ARG 9 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3m3m s SER 10 N -3.53 7.07 0.25 0.55 0.15 -0.24 -4.93 113.70 113.01 3m3m s SER 10 Ca 0.08 1.31 -0.05 0.00 0.70 0.00 0.00 55.95 57.99 3m3m s SER 10 Cb 0.12 -2.49 0.35 0.00 -1.71 0.00 0.00 66.02 62.29 3m3m s SER 10 CO 0.40 -0.38 1.87 1.23 1.20 0.00 0.00 173.24 177.56 3m3m h GLY 11 N 7.99 1.37 1.59 9.45 0.00 -1.86 0.60 103.07 122.21 3m3m h GLY 11 Ca -0.32 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 3m3m h GLY 11 CO 0.83 0.30 0.20 3.43 0.00 0.00 0.00 176.54 181.30 3m3m h ASN 12 N 1.06 0.48 0.51 0.19 -0.26 -1.92 -2.23 115.58 113.41 3m3m h ASN 12 Ca 0.39 -0.03 -0.28 0.00 -0.56 0.00 0.00 56.30 55.82 3m3m h ASN 12 Cb 0.15 -0.12 0.01 0.00 -1.06 0.00 0.00 38.32 37.30 3m3m h ASN 12 CO -0.17 0.40 -1.23 0.00 -1.06 0.00 0.00 177.43 175.38 3m3m h TYR 14 N 0.12 0.94 -1.00 0.00 3.20 -0.55 -0.75 116.97 118.92 3m3m h TYR 14 Ca -0.15 0.03 0.21 0.00 3.14 0.00 0.00 58.73 61.96 3m3m h TYR 14 Cb 1.93 -0.30 -0.11 0.00 1.54 0.00 0.00 36.73 39.79 3m3m h TYR 14 CO 0.08 0.39 0.61 0.87 -1.64 0.00 0.00 178.16 178.46 3m3m h LYS 15 N 0.83 0.68 0.25 1.82 1.57 -1.43 0.20 116.57 120.49 3m3m h LYS 15 Ca 0.44 -0.04 -0.34 0.00 -1.87 0.00 0.00 60.65 58.85 3m3m h LYS 15 Cb 0.55 -0.15 0.04 0.00 0.08 0.00 0.00 32.23 32.74 3m3m h LYS 15 CO -0.21 0.45 -1.47 0.82 -0.57 0.00 0.00 179.45 178.48 3m3m h ILE 16 N 0.70 1.28 -0.11 1.86 1.08 -1.30 -3.19 117.51 117.83 3m3m h ILE 16 Ca 0.60 -2.68 0.03 0.00 -0.39 0.00 0.00 64.86 62.42 3m3m h ILE 16 Cb 1.01 3.02 -0.04 0.00 -3.07 0.00 0.00 36.82 37.74 3m3m h ILE 16 CO -0.40 0.81 -0.10 0.50 -0.69 0.00 0.00 178.15 178.26 3m3m h LYS 17 N 0.16 -0.12 -0.47 2.37 3.64 -0.84 -0.28 116.57 121.02 3m3m h LYS 17 Ca -0.25 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 3m3m h LYS 17 Cb 2.15 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 34.00 3m3m h LYS 17 CO 0.28 -0.08 0.00 -0.11 -2.27 0.00 0.00 179.45 177.27 3m3m n LEU 18 N -5.25 0.00 0.00 5.20 7.94 0.65 -1.84 117.00 123.71 3m3m n LEU 18 Ca -0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 3m3m n LEU 18 Cb 0.17 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.12 3m3m n LEU 18 CO 0.24 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 176.70 3m3m n LEU 20 N 0.61 0.00 -0.14 -1.96 4.77 -0.12 -0.67 117.00 119.49 3m3m n LEU 20 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3m3m n LEU 20 Cb 0.00 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3m3m n LEU 20 CO 0.00 0.00 0.70 0.78 -1.33 0.00 0.00 177.39 177.54 3m3m h ASN 21 N 0.00 0.96 -0.16 -1.43 2.35 -1.61 0.53 115.58 116.22 3m3m h ASN 21 Ca 0.00 -0.34 -0.03 0.00 -0.55 0.00 0.00 56.30 55.37 3m3m h ASN 21 Cb 0.00 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 3m3m h ASN 21 CO 0.00 1.12 0.01 -0.07 -1.65 0.00 0.00 177.43 176.84 3m3m h LEU 22 N 0.82 0.35 -1.66 1.61 3.38 -1.07 -2.15 115.31 116.59 3m3m h LEU 22 Ca 0.11 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3m3m h LEU 22 Cb 0.74 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3m3m h LEU 22 CO 0.06 0.40 0.00 0.18 0.09 0.00 0.00 178.44 179.17 3m3m n LEU 23 N -4.34 2.51 -1.38 1.67 4.77 -1.12 -4.95 117.00 114.16 3m3m n LEU 23 Ca 0.01 -1.01 -0.14 0.00 -0.03 0.00 0.00 56.01 54.84 3m3m n LEU 23 Cb 0.20 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 3m3m n LEU 23 CO 0.37 0.50 -0.16 0.61 -1.33 0.00 0.00 177.39 177.39 3m3m n GLY 24 N 1.31 0.37 3.82 -0.72 0.00 -0.60 -4.99 105.19 104.38 3m3m n GLY 24 Ca 0.17 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 3m3m n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m3m s LEU 25 N -3.64 4.42 0.29 0.99 1.43 0.08 -5.03 118.68 117.21 3m3m s LEU 25 Ca 0.00 0.85 -0.22 0.00 -1.03 0.00 0.00 54.13 53.73 3m3m s LEU 25 Cb 0.00 -2.52 -0.09 0.00 0.03 0.00 0.00 46.19 43.61 3m3m s LEU 25 CO 0.00 0.28 0.83 -2.16 0.23 0.00 0.00 176.35 175.53 3m3m s PRO 26 N -0.76 4.37 0.08 1.29 0.04 -1.26 -4.68 135.00 134.09 3m3m s PRO 26 Ca 0.22 1.06 -0.12 0.00 0.04 0.00 0.00 61.00 62.20 3m3m s PRO 26 Cb -0.16 -2.77 0.01 0.00 0.04 0.00 0.00 34.50 31.63 3m3m s PRO 26 CO 0.11 0.30 0.28 1.52 0.04 0.00 0.00 177.00 179.25 3m3m s TYR 27 N -1.64 -0.01 -0.02 0.56 -0.85 -1.26 -3.60 117.35 110.52 3m3m s TYR 27 Ca 0.48 -0.30 -0.00 0.00 -0.52 0.00 0.00 57.07 56.72 3m3m s TYR 27 Cb -0.16 0.07 -0.04 0.00 0.38 0.00 0.00 41.96 42.21 3m3m s TYR 27 CO 0.21 -0.57 0.05 -2.00 -1.52 0.00 0.00 175.55 171.72 3m3m s GLU 28 N -3.45 2.98 -0.19 -3.49 2.12 0.27 -4.42 118.70 112.51 3m3m s GLU 28 Ca 0.01 -0.49 -0.02 0.00 0.36 0.00 0.00 54.97 54.83 3m3m s GLU 28 Cb 0.02 -2.81 -0.00 0.00 0.26 0.00 0.00 34.13 31.60 3m3m s GLU 28 CO -0.09 0.66 -0.10 -0.46 -0.54 0.00 0.00 175.26 174.73 3m3m s TRP 29 N -1.10 2.89 -0.38 5.30 -0.11 -1.26 -0.84 118.94 123.43 3m3m s TRP 29 Ca 0.20 -1.03 -0.12 0.00 1.22 0.00 0.00 56.10 56.37 3m3m s TRP 29 Cb -0.12 -2.01 0.03 0.00 -1.50 0.00 0.00 33.47 29.87 3m3m s TRP 29 CO 0.10 -0.53 0.23 -1.14 -4.62 0.00 0.00 176.95 170.99 3m3m s GLN 30 N 1.20 2.85 0.27 5.86 2.00 0.70 -4.96 119.66 127.57 3m3m s GLN 30 Ca 0.02 -1.07 -0.30 0.00 -2.00 0.00 0.00 55.36 52.01 3m3m s GLN 30 Cb -0.14 -3.78 -0.11 0.00 0.80 0.00 0.00 33.01 29.78 3m3m s GLN 30 CO -0.03 -0.71 1.50 0.00 -0.50 0.00 0.00 175.29 175.54 3m3m s ALA 31 N 1.58 3.67 -0.08 1.58 0.00 -1.26 -1.65 121.76 125.59 3m3m s ALA 31 Ca 0.03 1.43 0.04 0.00 0.00 0.00 0.00 51.96 53.46 3m3m s ALA 31 Cb -0.19 -3.59 -0.00 0.00 0.00 0.00 0.00 23.12 19.34 3m3m s ALA 31 CO 0.07 -0.84 -0.22 0.08 0.00 0.00 0.00 175.76 174.85 3m3m s VAL 32 N -0.08 1.91 -0.43 0.00 1.01 0.19 -4.82 120.40 118.19 3m3m s VAL 32 Ca 0.60 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 3m3m s VAL 32 Cb -0.44 -1.65 0.08 0.00 0.00 0.00 0.00 36.38 34.36 3m3m s VAL 32 CO 0.46 0.53 0.28 -0.62 0.00 0.00 0.00 175.10 175.75 3m3m s ASP 33 N 0.26 5.74 0.07 3.32 -1.08 -1.26 -4.44 116.67 119.29 3m3m s ASP 33 Ca -0.15 -1.45 -0.15 0.00 -0.52 0.00 0.00 52.55 50.28 3m3m s ASP 33 Cb -0.17 -2.03 -0.17 0.00 -1.46 0.00 0.00 42.92 39.10 3m3m s ASP 33 CO 0.07 -0.55 1.26 0.40 0.52 0.00 0.00 175.17 176.87 3m3m h ILE 34 N 6.00 1.32 -0.39 4.11 2.04 -1.96 -1.69 117.51 126.94 3m3m h ILE 34 Ca -0.24 -1.90 -0.02 0.00 1.00 0.00 0.00 64.86 63.70 3m3m h ILE 34 Cb 1.09 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 39.25 3m3m h ILE 34 CO 0.78 0.59 0.16 0.25 0.00 0.00 0.00 178.15 179.93 3m3m h LEU 35 N 0.33 0.49 0.00 1.44 5.85 -2.03 -1.32 115.31 120.07 3m3m h LEU 35 Ca -0.05 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3m3m h LEU 35 Cb 1.28 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3m3m h LEU 35 CO 0.13 0.45 0.00 0.61 -0.34 0.00 0.00 178.44 179.29 3m3m n GLY 36 N -1.21 -0.97 0.00 3.75 0.00 -1.10 -4.88 105.19 100.77 3m3m n GLY 36 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3m3m n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m3m n GLY 37 N 0.60 0.81 0.25 -0.02 0.00 -0.50 -4.99 105.19 101.34 3m3m n GLY 37 Ca 0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.28 3m3m n GLY 37 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3m3m h ASP 38 N 0.00 0.00 -0.01 1.61 3.32 -1.47 -1.71 116.42 118.16 3m3m h ASP 38 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3m3m h ASP 38 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3m3m h ASP 38 CO 0.00 0.10 -0.04 0.35 -1.72 0.00 0.00 179.24 177.93 3m3m n THR 39 N -3.24 0.00 0.13 0.35 -2.24 -1.26 -4.00 114.28 104.01 3m3m n THR 39 Ca 0.00 -0.34 0.07 0.00 -2.27 0.00 0.00 64.05 61.52 3m3m n THR 39 Cb 0.35 0.90 0.13 0.00 -2.10 0.00 0.00 70.33 69.61 3m3m n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3m3m n GLN 40 N 0.55 2.02 -2.13 -0.78 6.02 -0.64 -4.63 117.38 117.78 3m3m n GLN 40 Ca 0.16 -1.82 -0.31 0.00 -0.01 0.00 0.00 57.00 55.03 3m3m n GLN 40 Cb 0.45 -1.31 -0.00 0.00 1.02 0.00 0.00 30.24 30.40 3m3m n GLN 40 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3m3m s THR 41 N -1.07 4.69 0.40 5.09 -4.23 -1.24 -4.93 115.64 114.34 3m3m s THR 41 Ca 0.24 0.88 0.10 0.00 -1.18 0.00 0.00 61.69 61.72 3m3m s THR 41 Cb 0.14 -3.82 0.17 0.00 1.34 0.00 0.00 72.50 70.32 3m3m s THR 41 CO 0.19 -0.97 1.94 -0.33 -0.54 0.00 0.00 174.62 174.90 3m3m h GLU 42 N 0.13 0.24 -0.38 3.99 4.39 -1.94 -0.71 114.58 120.29 3m3m h GLU 42 Ca -0.45 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.20 3m3m h GLU 42 Cb 1.19 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 3m3m h GLU 42 CO 0.62 0.35 0.23 0.00 -1.16 0.00 0.00 179.01 179.05 3m3m h ALA 43 N 1.67 0.49 -0.28 3.43 0.00 -1.95 -0.86 119.26 121.75 3m3m h ALA 43 Ca 0.05 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3m3m h ALA 43 Cb 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3m3m h ALA 43 CO 0.02 -0.02 -0.20 0.35 0.00 0.00 0.00 179.25 179.41 3m3m h PHE 44 N 0.50 0.75 0.00 0.00 3.57 -1.64 -3.13 116.94 116.98 3m3m h PHE 44 Ca 0.14 -0.20 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 3m3m h PHE 44 Cb 0.01 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 3m3m h PHE 44 CO -0.03 0.90 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.75 3m3m h LEU 45 N 0.38 0.00 -2.00 0.59 3.38 -0.95 0.30 115.31 117.02 3m3m h LEU 45 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3m3m h LEU 45 Cb 0.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3m3m h LEU 45 CO 0.05 0.13 -0.09 0.00 0.09 0.00 0.00 178.44 178.63 3m3m h ALA 46 N 1.87 1.58 0.10 1.53 0.00 -1.10 -2.28 119.26 120.96 3m3m h ALA 46 Ca -0.00 -0.08 -0.32 0.00 0.00 0.00 0.00 54.91 54.51 3m3m h ALA 46 Cb 0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3m3m h ALA 46 CO 0.02 0.11 -1.72 0.87 0.00 0.00 0.00 179.25 178.53 3m3m h LYS 47 N 0.00 0.22 -2.99 0.00 1.57 -0.54 -3.44 116.57 111.38 3m3m h LYS 47 Ca -0.00 -0.38 -0.48 0.00 -1.87 0.00 0.00 60.65 57.92 3m3m h LYS 47 Cb 0.19 0.14 -0.41 0.00 0.08 0.00 0.00 32.23 32.23 3m3m h LYS 47 CO 0.01 1.18 -0.76 1.21 -0.57 0.00 0.00 179.45 180.52 3m3m s ASN 48 N -7.03 2.70 0.47 0.86 2.47 -0.38 -4.77 114.94 109.26 3m3m s ASN 48 Ca -0.23 -0.81 0.32 0.00 0.42 0.00 0.00 52.86 52.56 3m3m s ASN 48 Cb 0.06 -0.28 1.54 0.00 -1.45 0.00 0.00 41.25 41.12 3m3m s ASN 48 CO 0.74 -0.37 1.96 1.55 -3.72 0.00 0.00 177.10 177.26 3m3m h PRO 49 N 8.41 0.00 -0.00 0.43 0.13 -1.67 0.53 132.00 139.83 3m3m h PRO 49 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3m3m h PRO 49 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3m3m h PRO 49 CO 0.33 0.00 -0.06 -1.71 -0.23 0.00 0.00 178.00 176.33 3m3m n ASN 50 N -2.70 0.13 -0.42 1.44 5.15 -1.26 -4.93 115.26 112.66 3m3m n ASN 50 Ca -0.01 0.01 -0.04 0.00 -0.60 0.00 0.00 54.58 53.94 3m3m n ASN 50 Cb 0.16 -0.28 -0.01 0.00 -0.53 0.00 0.00 39.78 39.12 3m3m n ASN 50 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3m3m n GLY 51 N 1.38 0.34 3.31 8.20 0.00 0.18 -5.04 105.19 113.56 3m3m n GLY 51 Ca 0.11 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 3m3m n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m3m s LYS 52 N -3.69 1.20 0.12 1.61 1.02 -1.26 -4.85 119.74 113.89 3m3m s LYS 52 Ca 0.00 -1.31 0.03 0.00 0.02 0.00 0.00 55.97 54.71 3m3m s LYS 52 Cb 0.00 -1.30 -0.04 0.00 -0.52 0.00 0.00 37.83 35.97 3m3m s LYS 52 CO 0.00 0.28 0.19 0.96 -0.92 0.00 0.00 175.35 175.85 3m3m s ILE 53 N -1.78 4.95 0.45 2.17 -4.36 -1.26 -4.48 121.20 116.89 3m3m s ILE 53 Ca 0.12 -0.75 -0.08 0.00 -0.26 0.00 0.00 60.65 59.68 3m3m s ILE 53 Cb -0.07 -3.48 -0.05 0.00 1.25 0.00 0.00 42.46 40.11 3m3m s ILE 53 CO 0.05 -0.01 0.79 -2.16 0.24 0.00 0.00 174.94 173.86 3m3m s PRO 54 N -2.88 3.65 -0.02 0.37 0.04 -1.26 -4.77 135.00 130.13 3m3m s PRO 54 Ca 0.33 0.35 0.06 0.00 0.04 0.00 0.00 61.00 61.78 3m3m s PRO 54 Cb -0.11 -2.37 -0.01 0.00 0.04 0.00 0.00 34.50 32.05 3m3m s PRO 54 CO 0.26 -0.15 -0.20 0.08 0.04 0.00 0.00 177.00 177.03 3m3m s VAL 55 N -2.60 1.61 -0.20 -0.36 1.01 -0.96 -4.06 120.40 114.83 3m3m s VAL 55 Ca 0.49 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 3m3m s VAL 55 Cb -0.10 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 3m3m s VAL 55 CO 0.39 0.45 -0.06 -0.22 0.00 0.00 0.00 175.10 175.67 3m3m s LEU 56 N -0.40 2.85 -0.17 3.92 2.96 0.13 -0.92 118.68 127.06 3m3m s LEU 56 Ca 0.06 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.54 3m3m s LEU 56 Cb -0.09 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 3m3m s LEU 56 CO -0.00 0.01 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.31 3m3m s GLU 57 N 1.28 3.62 0.64 1.98 2.12 0.10 -0.34 118.70 128.11 3m3m s GLU 57 Ca 0.03 -0.54 -0.02 0.00 0.36 0.00 0.00 54.97 54.81 3m3m s GLU 57 Cb -0.14 -2.96 0.06 0.00 0.26 0.00 0.00 34.13 31.35 3m3m s GLU 57 CO -0.02 0.14 0.90 -0.51 -0.54 0.00 0.00 175.26 175.23 3m3m s LEU 58 N 0.63 3.05 0.52 2.70 1.43 0.18 -1.61 118.68 125.59 3m3m s LEU 58 Ca -0.02 0.12 0.17 0.00 -1.03 0.00 0.00 54.13 53.37 3m3m s LEU 58 Cb -0.14 -2.83 1.29 0.00 0.03 0.00 0.00 46.19 44.54 3m3m s LEU 58 CO 0.02 -1.44 2.13 -0.08 0.23 0.00 0.00 176.35 177.22 3m3m h GLU 59 N -0.29 0.00 -0.13 1.70 4.81 -1.86 -0.09 114.58 118.71 3m3m h GLU 59 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3m3m h GLU 59 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 3m3m h GLU 59 CO 0.53 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.41 3m3m n ASP 60 N -4.51 1.35 0.00 1.04 5.68 -1.26 -4.89 116.55 113.96 3m3m n ASP 60 Ca -0.02 -1.65 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 3m3m n ASP 60 Cb 0.15 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 3m3m n ASP 60 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3m3m n GLY 61 N 1.06 0.86 3.74 6.12 0.00 -0.05 -5.04 105.19 111.88 3m3m n GLY 61 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3m3m n GLY 61 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3m3m n THR 62 N -2.00 1.01 -4.75 2.61 -1.04 -1.26 -4.71 114.28 104.14 3m3m n THR 62 Ca 0.00 -0.25 -0.33 0.00 -2.04 0.00 0.00 64.05 61.43 3m3m n THR 62 Cb 0.00 -1.92 -0.16 0.00 -1.82 0.00 0.00 70.33 66.43 3m3m n THR 62 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3m3m s LEU 64 N 0.65 3.01 0.41 0.00 1.43 0.54 -4.95 118.68 119.77 3m3m s LEU 64 Ca -0.09 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 3m3m s LEU 64 Cb -0.16 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 3m3m s LEU 64 CO 0.02 0.31 0.14 -1.66 0.23 0.00 0.00 176.35 175.39 3m3m s TRP 65 N -0.51 1.78 0.02 0.29 1.48 -1.26 -0.69 118.94 120.05 3m3m s TRP 65 Ca 0.07 -1.32 0.00 0.00 -1.06 0.00 0.00 56.10 53.80 3m3m s TRP 65 Cb -0.12 -1.14 0.00 0.00 -1.16 0.00 0.00 33.47 31.05 3m3m s TRP 65 CO 0.02 -0.33 0.00 0.39 -4.06 0.00 0.00 176.95 172.97 3m3m n GLU 66 N -0.92 -1.86 -0.30 3.25 -0.58 -1.26 -4.46 120.64 114.52 3m3m n GLU 66 Ca -0.06 1.66 0.06 0.00 -0.42 0.00 0.00 57.16 58.41 3m3m n GLU 66 Cb 0.65 -1.90 0.21 0.00 -0.57 0.00 0.00 31.44 29.83 3m3m n GLU 66 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3m3m h SER 67 N 1.50 0.61 0.90 1.62 4.64 -1.87 -0.66 113.55 120.29 3m3m h SER 67 Ca 0.00 0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 3m3m h SER 67 Cb 0.00 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3m3m h SER 67 CO 0.00 0.29 -0.36 0.78 -0.87 0.00 0.00 176.83 176.68 3m3m h ASN 68 N 0.70 0.00 0.34 4.97 2.35 -1.92 -1.20 115.58 120.83 3m3m h ASN 68 Ca 0.45 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.96 3m3m h ASN 68 Cb 0.57 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.95 3m3m h ASN 68 CO -0.32 0.36 -1.00 0.00 -1.65 0.00 0.00 177.43 174.81 3m3m h ALA 69 N 1.64 0.30 -0.82 -0.83 0.00 -1.44 -2.51 119.26 115.60 3m3m h ALA 69 Ca -0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 3m3m h ALA 69 Cb 0.90 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 3m3m h ALA 69 CO 0.05 0.82 0.43 0.82 0.00 0.00 0.00 179.25 181.36 3m3m h ILE 70 N 0.22 1.25 -0.56 0.00 2.04 -0.93 -1.12 117.51 118.41 3m3m h ILE 70 Ca -0.10 -0.66 0.04 0.00 1.00 0.00 0.00 64.86 65.15 3m3m h ILE 70 Cb 1.65 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 3m3m h ILE 70 CO 0.17 0.29 0.32 -0.07 0.00 0.00 0.00 178.15 178.86 3m3m h LEU 71 N 1.16 0.48 -0.64 1.44 3.38 -1.16 -0.80 115.31 119.17 3m3m h LEU 71 Ca 0.29 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3m3m h LEU 71 Cb 0.07 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3m3m h LEU 71 CO -0.04 0.33 0.41 0.78 0.09 0.00 0.00 178.44 180.01 3m3m h ASN 72 N 0.61 0.74 -0.31 -0.43 2.35 -0.84 -1.07 115.58 116.63 3m3m h ASN 72 Ca 0.24 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3m3m h ASN 72 Cb 0.10 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3m3m h ASN 72 CO -0.14 0.55 0.19 0.15 -1.65 0.00 0.00 177.43 176.54 3m3m h PHE 73 N 0.86 0.41 -0.22 1.19 3.57 -0.73 -2.00 116.94 120.02 3m3m h PHE 73 Ca 0.23 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.62 3m3m h PHE 73 Cb -0.08 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 3m3m h PHE 73 CO -0.03 0.30 -0.34 -0.07 -2.23 0.00 0.00 178.31 175.94 3m3m h LEU 74 N 0.40 0.48 0.00 0.59 3.38 -0.98 -3.23 115.31 115.95 3m3m h LEU 74 Ca 0.11 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3m3m h LEU 74 Cb 0.01 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3m3m h LEU 74 CO -0.02 0.79 -0.58 0.00 0.09 0.00 0.00 178.44 178.72 3m3m h ALA 75 N 1.24 0.62 -2.75 1.53 0.00 -1.13 -3.47 119.26 115.30 3m3m h ALA 75 Ca 0.05 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.43 3m3m h ALA 75 Cb 0.79 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.64 3m3m h ALA 75 CO 0.06 0.00 0.74 0.34 0.00 0.00 0.00 179.25 180.39 3m3m s ASP 76 N -4.41 6.69 0.00 0.00 -1.08 -0.76 -0.57 116.67 116.54 3m3m s ASP 76 Ca 0.06 2.65 0.00 0.00 -0.52 0.00 0.00 52.55 54.74 3m3m s ASP 76 Cb 0.13 -2.62 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 3m3m s ASP 76 CO 0.71 -0.67 0.00 0.61 0.52 0.00 0.00 175.17 176.34 3m3m n GLY 77 N 2.06 0.83 3.91 2.66 0.00 -1.26 -5.05 105.19 108.34 3m3m n GLY 77 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 3m3m n GLY 77 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m3m s SER 78 N -2.72 4.81 0.00 1.61 1.04 0.26 -5.00 113.70 113.70 3m3m s SER 78 Ca 0.00 -1.05 0.17 0.00 0.48 0.00 0.00 55.95 55.55 3m3m s SER 78 Cb 0.00 0.10 0.84 0.00 0.10 0.00 0.00 66.02 67.07 3m3m s SER 78 CO 0.00 -1.00 1.50 0.00 0.98 0.00 0.00 173.24 174.72 3m3m n GLN 79 N -1.76 0.22 0.00 4.02 0.00 -1.26 -2.67 117.38 115.93 3m3m n GLN 79 Ca 0.02 0.13 0.14 0.00 0.00 0.00 0.00 57.00 57.29 3m3m n GLN 79 Cb 0.63 -1.50 0.48 0.00 0.00 0.00 0.00 30.24 29.85 3m3m n GLN 79 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3m3m n PHE 80 N -1.30 0.00 -3.56 2.61 3.72 -1.26 -4.73 117.46 112.93 3m3m n PHE 80 Ca 0.08 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.25 3m3m n PHE 80 Cb 0.14 -0.06 -0.15 0.00 -0.94 0.00 0.00 39.48 38.47 3m3m n PHE 80 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3m3m s LEU 81 N -2.22 0.16 0.54 4.37 2.96 -1.09 -0.94 118.68 122.46 3m3m s LEU 81 Ca 0.32 -0.50 -0.22 0.00 -0.22 0.00 0.00 54.13 53.52 3m3m s LEU 81 Cb 0.20 0.01 -0.05 0.00 0.50 0.00 0.00 46.19 46.86 3m3m s LEU 81 CO 0.41 -0.35 1.34 -2.84 -1.32 0.00 0.00 176.35 173.60 3m3m s PRO 82 N 2.22 3.20 0.08 0.98 0.02 -1.26 -4.53 135.00 135.71 3m3m s PRO 82 Ca 0.04 2.19 0.21 0.00 0.02 0.00 0.00 61.00 63.47 3m3m s PRO 82 Cb -0.16 -2.27 -0.14 0.00 0.02 0.00 0.00 34.50 31.95 3m3m s PRO 82 CO -0.12 -1.13 0.78 -1.13 -0.33 0.00 0.00 177.00 175.07 3m3m n SER 83 N -0.98 0.55 -4.70 2.53 3.41 -1.26 -4.23 113.62 108.94 3m3m n SER 83 Ca 0.10 0.22 -0.42 0.00 -0.26 0.00 0.00 58.87 58.51 3m3m n SER 83 Cb 0.45 0.89 -0.03 0.00 -0.26 0.00 0.00 64.21 65.26 3m3m n SER 83 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3m3m s GLU 84 N -3.28 4.14 0.25 4.33 8.01 -1.26 -4.80 118.70 126.08 3m3m s GLU 84 Ca -0.04 2.60 -0.04 0.00 0.01 0.00 0.00 54.97 57.50 3m3m s GLU 84 Cb 0.10 -3.52 0.46 0.00 -4.31 0.00 0.00 34.13 26.86 3m3m s GLU 84 CO 0.83 -0.83 1.75 -1.35 0.01 0.00 0.00 175.26 175.67 3m3m h PRO 85 N 8.36 0.52 -0.81 0.39 0.11 -1.99 0.19 132.00 138.78 3m3m h PRO 85 Ca -0.46 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3m3m h PRO 85 Cb 1.22 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 3m3m h PRO 85 CO 0.95 0.35 0.34 0.00 -0.21 0.00 0.00 178.00 179.43 3m3m h ARG 86 N 0.54 1.19 0.03 1.05 3.08 -1.99 -1.08 114.38 117.19 3m3m h ARG 86 Ca 0.42 -0.20 -0.27 0.00 0.07 0.00 0.00 59.98 59.99 3m3m h ARG 86 Cb 0.58 -0.20 0.02 0.00 0.08 0.00 0.00 29.97 30.46 3m3m h ARG 86 CO -0.36 0.95 -1.09 -0.07 -1.07 0.00 0.00 179.97 178.33 3m3m h LEU 87 N 1.16 0.90 -0.99 3.04 3.38 -1.70 -1.67 115.31 119.43 3m3m h LEU 87 Ca 0.27 -0.75 0.06 0.00 0.09 0.00 0.00 57.88 57.55 3m3m h LEU 87 Cb 0.19 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 3m3m h LEU 87 CO -0.03 1.55 0.64 -0.09 0.09 0.00 0.00 178.44 180.60 3m3m h ARG 88 N 0.37 1.15 -0.45 1.13 2.43 -0.66 -1.13 114.38 117.21 3m3m h ARG 88 Ca -0.14 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 58.85 3m3m h ARG 88 Cb 1.75 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 31.02 3m3m h ARG 88 CO 0.21 0.76 -0.16 1.15 -1.51 0.00 0.00 179.97 180.42 3m3m h THR 89 N 1.18 1.27 -0.50 0.20 2.02 -1.08 -1.69 112.91 114.31 3m3m h THR 89 Ca 0.42 -1.27 -0.11 0.00 0.77 0.00 0.00 66.41 66.22 3m3m h THR 89 Cb 0.13 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3m3m h THR 89 CO -0.16 0.44 -0.12 1.56 0.37 0.00 0.00 175.52 177.61 3m3m h GLN 90 N 0.76 0.93 -0.54 6.66 4.20 -0.73 0.31 115.11 126.69 3m3m h GLN 90 Ca 0.12 -0.34 0.05 0.00 0.06 0.00 0.00 58.65 58.54 3m3m h GLN 90 Cb 0.68 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.35 3m3m h GLN 90 CO 0.05 0.99 0.28 0.28 -0.67 0.00 0.00 178.83 179.76 3m3m h VAL 91 N 0.83 0.95 -0.16 -0.54 2.07 -0.98 -2.24 116.25 116.18 3m3m h VAL 91 Ca 0.13 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 3m3m h VAL 91 Cb 0.65 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3m3m h VAL 91 CO 0.05 0.10 -0.34 -0.07 0.02 0.00 0.00 177.57 177.32 3m3m h LEU 92 N 0.53 0.34 0.13 2.57 3.38 -0.67 -1.76 115.31 119.83 3m3m h LEU 92 Ca 0.24 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3m3m h LEU 92 Cb 0.15 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3m3m h LEU 92 CO -0.17 0.67 -0.12 -0.61 0.09 0.00 0.00 178.44 178.30 3m3m h GLN 93 N 0.28 -0.26 -0.47 1.13 4.15 -0.09 -0.21 115.11 119.65 3m3m h GLN 93 Ca 0.03 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 3m3m h GLN 93 Cb 0.75 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.47 3m3m h GLN 93 CO 0.06 -0.17 0.17 -1.49 -1.93 0.00 0.00 178.83 175.46 3m3m h TRP 94 N -0.27 0.68 -0.39 3.99 4.06 -1.06 -0.75 115.95 122.22 3m3m h TRP 94 Ca -0.00 -0.04 -0.08 0.00 2.06 0.00 0.00 58.89 60.83 3m3m h TRP 94 Cb 0.25 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 3m3m h TRP 94 CO -0.11 0.55 -0.06 1.96 -3.56 0.00 0.00 178.44 177.21 3m3m h GLN 95 N 0.67 0.74 -0.50 0.49 4.20 -0.56 0.58 115.11 120.74 3m3m h GLN 95 Ca 0.16 -0.27 -0.11 0.00 0.06 0.00 0.00 58.65 58.50 3m3m h GLN 95 Cb 0.17 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3m3m h GLN 95 CO -0.01 0.86 -0.10 0.74 -0.67 0.00 0.00 178.83 179.65 3m3m h PHE 96 N 0.55 1.06 -0.97 2.96 0.04 -0.91 -2.26 116.94 117.41 3m3m h PHE 96 Ca 0.10 -0.22 0.10 0.00 2.80 0.00 0.00 57.97 60.75 3m3m h PHE 96 Cb 0.57 -0.26 -0.07 0.00 2.20 0.00 0.00 35.95 38.39 3m3m h PHE 96 CO 0.05 1.01 0.62 0.35 -0.60 0.00 0.00 178.31 179.74 3m3m h PHE 97 N 0.80 1.10 -0.62 -0.55 3.57 -1.09 -0.89 116.94 119.27 3m3m h PHE 97 Ca 0.13 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 3m3m h PHE 97 Cb 0.66 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 3m3m h PHE 97 CO 0.05 0.49 0.09 1.49 -2.23 0.00 0.00 178.31 178.19 3m3m h GLU 98 N 1.00 1.01 0.00 1.11 4.22 -0.42 0.61 114.58 122.12 3m3m h GLU 98 Ca 0.46 -0.27 -0.12 0.00 0.08 0.00 0.00 59.36 59.51 3m3m h GLU 98 Cb 0.40 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3m3m h GLU 98 CO -0.22 0.94 -0.58 1.96 -2.18 0.00 0.00 179.01 178.94 3m3m h GLN 99 N 0.95 0.00 0.00 1.92 1.08 -0.91 0.47 115.11 118.62 3m3m h GLN 99 Ca 0.19 0.00 -0.39 0.00 -1.45 0.00 0.00 58.65 57.00 3m3m h GLN 99 Cb 0.43 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.79 3m3m h GLN 99 CO 0.01 0.58 -2.48 0.98 -0.95 0.00 0.00 178.83 176.97 3m3m n TYR 100 N -3.56 0.01 0.41 2.96 9.36 -0.38 -4.46 117.16 121.49 3m3m n TYR 100 Ca -0.00 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.27 3m3m n TYR 100 Cb 0.65 -1.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.29 3m3m n TYR 100 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 3m3m n SER 101 N -3.26 0.85 0.04 2.98 7.64 0.18 -4.74 113.62 117.30 3m3m n SER 101 Ca -0.46 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 58.80 3m3m n SER 101 Cb 0.99 1.09 0.00 0.00 -1.01 0.00 0.00 64.21 65.28 3m3m n SER 101 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 3m3m n HIS 102 N -1.36 -0.38 -0.23 1.43 -0.00 -1.15 -4.55 115.22 108.98 3m3m n HIS 102 Ca 0.01 0.07 0.02 0.00 -0.00 0.00 0.00 57.72 57.82 3m3m n HIS 102 Cb 0.18 0.16 0.11 0.00 -0.00 0.00 0.00 29.99 30.44 3m3m n HIS 102 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 3m3m h GLU 103 N 0.00 0.07 0.00 1.57 4.22 -0.31 -0.08 114.58 120.05 3m3m h GLU 103 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3m3m h GLU 103 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3m3m h GLU 103 CO 0.00 0.04 0.00 -2.30 -2.18 0.00 0.00 179.01 174.57 3m3m n PRO 104 N -5.36 0.10 -0.12 0.92 -0.02 -1.26 -0.67 135.00 128.60 3m3m n PRO 104 Ca 0.10 0.46 -0.25 0.00 -2.02 0.00 0.00 63.50 61.79 3m3m n PRO 104 Cb 0.39 -1.75 -0.09 0.00 -0.02 0.00 0.00 33.50 32.03 3m3m n PRO 104 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3m3m n TYR 105 N -1.95 0.00 -0.02 6.00 4.01 -0.20 -4.03 117.16 120.97 3m3m n TYR 105 Ca 0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.62 3m3m n TYR 105 Cb 0.12 -0.84 -0.10 0.00 -0.31 0.00 0.00 39.34 38.21 3m3m n TYR 105 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3m3m h ILE 106 N -0.79 1.39 -0.37 -0.72 1.08 -1.06 -1.58 117.51 115.48 3m3m h ILE 106 Ca -0.59 -1.20 -0.13 0.00 -0.39 0.00 0.00 64.86 62.55 3m3m h ILE 106 Cb 1.54 2.16 -0.01 0.00 -3.07 0.00 0.00 36.82 37.44 3m3m h ILE 106 CO -0.34 0.32 -0.27 0.00 -0.69 0.00 0.00 178.15 177.17 3m3m h ALA 107 N 0.51 0.52 -0.17 1.87 0.00 -1.08 -2.27 119.26 118.65 3m3m h ALA 107 Ca 0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 3m3m h ALA 107 Cb 0.53 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3m3m h ALA 107 CO 0.01 0.54 -0.62 0.28 0.00 0.00 0.00 179.25 179.45 3m3m h VAL 108 N 0.62 1.32 -0.59 0.00 2.07 -1.61 -0.43 116.25 117.63 3m3m h VAL 108 Ca 0.07 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.70 3m3m h VAL 108 Cb 0.84 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 3m3m h VAL 108 CO 0.07 0.59 0.37 0.00 0.02 0.00 0.00 177.57 178.62 3m3m h ALA 109 N 0.86 0.74 -0.79 1.67 0.00 -1.22 0.23 119.26 120.75 3m3m h ALA 109 Ca -0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3m3m h ALA 109 Cb 1.20 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3m3m h ALA 109 CO 0.12 0.20 0.38 -0.09 0.00 0.00 0.00 179.25 179.87 3m3m h ARG 110 N 0.79 1.14 -0.17 0.00 2.43 -1.22 -0.10 114.38 117.26 3m3m h ARG 110 Ca 0.21 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3m3m h ARG 110 Cb -0.05 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 3m3m h ARG 110 CO -0.04 0.88 0.11 0.35 -1.51 0.00 0.00 179.97 179.75 3m3m h PHE 111 N 1.12 0.21 -0.20 2.20 3.57 -0.44 0.33 116.94 123.73 3m3m h PHE 111 Ca 0.27 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.80 3m3m h PHE 111 Cb 0.12 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3m3m h PHE 111 CO 0.01 0.16 0.02 0.82 -2.23 0.00 0.00 178.31 177.08 3m3m h ILE 112 N 0.21 0.88 0.05 1.41 2.04 -0.72 0.88 117.51 122.25 3m3m h ILE 112 Ca 0.06 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 3m3m h ILE 112 Cb -0.00 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3m3m h ILE 112 CO -0.01 0.02 -0.02 -0.61 0.00 0.00 0.00 178.15 177.52 3m3m h GLN 113 N 0.09 -0.06 -0.05 2.37 4.15 -0.90 -0.19 115.11 120.52 3m3m h GLN 113 Ca 0.09 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.28 3m3m h GLN 113 Cb 0.11 0.01 0.02 0.00 0.21 0.00 0.00 27.48 27.83 3m3m h GLN 113 CO -0.14 0.41 -0.89 1.25 -1.93 0.00 0.00 178.83 177.53 3m3m h LEU 114 N -0.97 0.87 0.06 -2.39 5.85 -0.41 -2.11 115.31 116.21 3m3m h LEU 114 Ca -0.01 -0.70 -0.30 0.00 0.84 0.00 0.00 57.88 57.71 3m3m h LEU 114 Cb 0.50 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3m3m h LEU 114 CO 0.01 1.45 -1.63 1.88 -0.34 0.00 0.00 178.44 179.82 3m3m h TYR 115 N 0.38 0.23 -0.02 1.25 0.05 -0.89 -3.39 116.97 114.58 3m3m h TYR 115 Ca -0.10 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.51 3m3m h TYR 115 Cb 1.54 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.27 3m3m h TYR 115 CO 0.10 1.26 0.00 0.39 -1.05 0.00 0.00 178.16 178.87 3m3m n GLU 116 N -3.29 0.41 -1.62 4.88 1.02 -0.81 -5.00 120.64 116.24 3m3m n GLU 116 Ca -0.18 -1.10 -0.14 0.00 -0.02 0.00 0.00 57.16 55.73 3m3m n GLU 116 Cb 1.04 -1.18 -0.05 0.00 -0.02 0.00 0.00 31.44 31.23 3m3m n GLU 116 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m3m n GLY 117 N 0.53 1.06 2.94 0.62 0.00 -0.79 -3.88 105.19 105.66 3m3m n GLY 117 Ca 0.06 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 3m3m n GLY 117 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3m3m n LEU 118 N -1.71 -5.13 -4.75 0.99 0.00 -0.12 -4.92 117.00 101.37 3m3m n LEU 118 Ca -0.15 -0.54 -0.37 0.00 0.00 0.00 0.00 56.01 54.95 3m3m n LEU 118 Cb 0.50 -2.77 0.04 0.00 0.00 0.00 0.00 43.42 41.19 3m3m n LEU 118 CO 0.21 -0.01 0.92 -2.84 0.00 0.00 0.00 177.39 175.66 3m3m s PRO 119 N -4.04 3.02 0.35 1.96 0.02 -1.25 -4.86 135.00 130.19 3m3m s PRO 119 Ca 0.34 2.06 0.09 0.00 0.02 0.00 0.00 61.00 63.52 3m3m s PRO 119 Cb -0.04 -2.10 0.83 0.00 0.02 0.00 0.00 34.50 33.21 3m3m s PRO 119 CO 0.61 -1.23 1.83 0.93 -0.33 0.00 0.00 177.00 178.82 3m3m h GLU 120 N 1.17 0.66 0.00 5.54 4.39 -1.96 -0.41 114.58 123.97 3m3m h GLU 120 Ca -0.51 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.15 3m3m h GLU 120 Cb 1.30 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3m3m h GLU 120 CO 0.56 0.43 -0.00 0.93 -1.16 0.00 0.00 179.01 179.77 3m3m h GLU 121 N 0.68 0.00 -0.21 2.33 3.07 -2.03 -2.05 114.58 116.36 3m3m h GLU 121 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 3m3m h GLU 121 Cb 0.87 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 3m3m h GLU 121 CO -0.26 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 177.89 3m3m n ARG 122 N -3.10 1.85 -0.13 2.33 1.74 -0.18 -4.73 116.66 114.43 3m3m n ARG 122 Ca -0.02 -1.70 -0.09 0.00 -0.77 0.00 0.00 57.85 55.27 3m3m n ARG 122 Cb 0.14 -1.27 -0.01 0.00 -1.02 0.00 0.00 32.46 30.31 3m3m n ARG 122 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3m3m h ARG 123 N 2.34 0.61 -0.27 5.56 2.43 -1.11 0.33 114.38 124.26 3m3m h ARG 123 Ca 0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3m3m h ARG 123 Cb 0.64 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3m3m h ARG 123 CO 0.00 0.60 0.17 1.49 -1.51 0.00 0.00 179.97 180.72 3m3m h GLU 124 N 0.50 0.35 -0.33 0.20 4.81 -1.85 -0.69 114.58 117.57 3m3m h GLU 124 Ca 0.13 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.41 3m3m h GLU 124 Cb 0.23 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.46 3m3m h GLU 124 CO -0.01 0.25 -0.17 1.49 -0.73 0.00 0.00 179.01 179.84 3m3m h GLU 125 N 0.35 -0.12 -0.70 1.92 4.81 -1.84 -2.20 114.58 116.81 3m3m h GLU 125 Ca 0.10 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 3m3m h GLU 125 Cb -0.03 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 3m3m h GLU 125 CO -0.02 -0.08 0.41 -0.92 -0.73 0.00 0.00 179.01 177.67 3m3m h TYR 126 N -0.13 0.76 -0.40 0.92 3.20 -0.61 -0.34 116.97 120.36 3m3m h TYR 126 Ca 0.17 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 3m3m h TYR 126 Cb 0.38 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3m3m h TYR 126 CO -0.38 0.39 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.40 3m3m h LEU 127 N 0.77 0.65 -0.52 2.82 3.38 -0.80 -0.32 115.31 121.29 3m3m h LEU 127 Ca 0.30 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 3m3m h LEU 127 Cb 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3m3m h LEU 127 CO -0.16 0.75 0.05 0.11 0.09 0.00 0.00 178.44 179.29 3m3m h LYS 128 N 0.62 0.88 -0.93 1.13 1.57 -0.78 -2.31 116.57 116.75 3m3m h LYS 128 Ca 0.12 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3m3m h LYS 128 Cb 0.47 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 3m3m h LYS 128 CO 0.02 0.88 0.58 -0.07 -0.57 0.00 0.00 179.45 180.29 3m3m h LEU 129 N 0.75 1.11 -0.45 2.94 3.38 -0.75 -1.49 115.31 120.81 3m3m h LEU 129 Ca 0.15 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3m3m h LEU 129 Cb 0.45 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3m3m h LEU 129 CO 0.02 0.84 0.21 0.45 0.09 0.00 0.00 178.44 180.04 3m3m h HIS 130 N 1.28 0.37 -0.69 1.13 3.86 -0.74 0.14 115.15 120.51 3m3m h HIS 130 Ca 0.34 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.54 3m3m h HIS 130 Cb -0.08 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 3m3m h HIS 130 CO 0.00 0.18 0.33 0.87 0.86 0.00 0.00 177.93 180.17 3m3m h LYS 131 N 0.41 1.00 0.05 2.45 1.57 -0.79 -1.29 116.57 119.97 3m3m h LYS 131 Ca 0.20 -0.15 -0.24 0.00 -1.87 0.00 0.00 60.65 58.59 3m3m h LYS 131 Cb 0.13 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3m3m h LYS 131 CO -0.16 0.79 -1.05 0.00 -0.57 0.00 0.00 179.45 178.46 3m3m h ARG 132 N 0.96 0.29 -0.51 3.15 3.08 -1.15 -2.59 114.38 117.62 3m3m h ARG 132 Ca 0.24 -0.38 -0.12 0.00 0.07 0.00 0.00 59.98 59.78 3m3m h ARG 132 Cb 0.12 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3m3m h ARG 132 CO -0.03 1.11 -0.16 0.78 -1.07 0.00 0.00 179.97 180.61 3m3m h GLY 133 N 1.58 1.08 1.23 0.04 0.00 -0.51 -2.54 103.07 103.96 3m3m h GLY 133 Ca -0.09 -0.91 -0.03 0.00 0.00 0.00 0.00 47.33 46.30 3m3m h GLY 133 CO 0.17 0.83 0.28 -0.97 0.00 0.00 0.00 176.54 176.85 3m3m h TYR 134 N 0.87 0.99 -0.67 5.60 0.05 -1.19 -0.69 116.97 121.93 3m3m h TYR 134 Ca 0.13 -0.06 0.06 0.00 0.05 0.00 0.00 58.73 58.91 3m3m h TYR 134 Cb 0.73 -0.30 -0.05 0.00 1.01 0.00 0.00 36.73 38.11 3m3m h TYR 134 CO 0.05 0.75 0.38 -0.22 -1.05 0.00 0.00 178.16 178.06 3m3m h LYS 135 N 0.97 0.68 -0.46 4.88 3.64 -1.18 0.26 116.57 125.35 3m3m h LYS 135 Ca 0.23 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.49 3m3m h LYS 135 Cb 0.17 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3m3m h LYS 135 CO -0.02 0.45 -0.01 0.00 -2.27 0.00 0.00 179.45 177.60 3m3m h ALA 136 N 1.35 0.63 -0.02 5.00 0.00 -0.96 -2.56 119.26 122.69 3m3m h ALA 136 Ca 0.30 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3m3m h ALA 136 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3m3m h ALA 136 CO -0.18 0.43 -0.17 -0.07 0.00 0.00 0.00 179.25 179.27 3m3m h LEU 137 N 0.68 0.03 -0.63 0.00 3.38 -0.79 -2.26 115.31 115.72 3m3m h LEU 137 Ca 0.13 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3m3m h LEU 137 Cb 0.52 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3m3m h LEU 137 CO 0.03 0.20 0.07 0.44 0.09 0.00 0.00 178.44 179.27 3m3m h ASP 138 N 0.03 1.02 0.00 -0.43 3.32 -0.71 0.13 116.42 119.78 3m3m h ASP 138 Ca 0.01 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3m3m h ASP 138 Cb 0.32 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3m3m h ASP 138 CO 0.02 1.04 0.00 0.52 -1.72 0.00 0.00 179.24 179.10 3m3m n VAL 139 N -4.24 0.00 0.00 -1.35 0.31 -0.85 -1.59 118.33 110.61 3m3m n VAL 139 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3m3m n VAL 139 Cb 0.30 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 3m3m n VAL 139 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3m3m n GLU 141 N 0.42 0.00 -0.24 5.55 4.07 0.46 -2.15 120.64 128.75 3m3m n GLU 141 Ca 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.04 3m3m n GLU 141 Cb 0.00 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 31.43 3m3m n GLU 141 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3m3m h LYS 142 N 0.00 0.91 -0.51 5.31 1.57 -1.55 -1.01 116.57 121.29 3m3m h LYS 142 Ca 0.00 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 3m3m h LYS 142 Cb 0.00 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3m3m h LYS 142 CO 0.00 0.65 0.06 0.37 -0.57 0.00 0.00 179.45 179.96 3m3m h GLN 143 N 0.91 0.85 -0.00 3.15 5.75 -1.71 -2.86 115.11 121.21 3m3m h GLN 143 Ca 0.24 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3m3m h GLN 143 Cb -0.03 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.42 3m3m h GLN 143 CO -0.05 0.86 -0.02 1.28 -2.65 0.00 0.00 178.83 178.25 3m3m n LEU 144 N -4.38 0.07 0.01 -2.39 4.77 -1.13 -1.74 117.00 112.21 3m3m n LEU 144 Ca 0.01 0.25 0.14 0.00 -0.03 0.00 0.00 56.01 56.38 3m3m n LEU 144 Cb 0.27 -0.27 0.59 0.00 -2.33 0.00 0.00 43.42 41.68 3m3m n LEU 144 CO 0.41 0.01 0.94 -1.20 -1.33 0.00 0.00 177.39 176.22 3m3m n SER 145 N -1.24 0.11 -0.01 -1.43 7.64 -0.40 -4.19 113.62 114.10 3m3m n SER 145 Ca 0.14 0.49 -0.01 0.00 1.01 0.00 0.00 58.87 60.50 3m3m n SER 145 Cb 0.25 -0.52 -0.01 0.00 -1.01 0.00 0.00 64.21 62.92 3m3m n SER 145 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3m3m n ARG 146 N -1.59 2.25 -4.19 1.43 1.74 -0.85 -5.07 116.66 110.37 3m3m n ARG 146 Ca 0.07 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.02 3m3m n ARG 146 Cb 0.35 -1.05 -0.10 0.00 -1.02 0.00 0.00 32.46 30.64 3m3m n ARG 146 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3m3m s THR 147 N -2.04 0.93 -0.39 0.55 -4.23 -0.71 -5.06 115.64 104.68 3m3m s THR 147 Ca -0.02 -1.82 0.23 0.00 -1.18 0.00 0.00 61.69 58.90 3m3m s THR 147 Cb 0.01 -1.56 0.10 0.00 1.34 0.00 0.00 72.50 72.39 3m3m s THR 147 CO 0.07 -0.69 1.27 1.55 -0.54 0.00 0.00 174.62 176.27 3m3m h PRO 148 N 3.21 0.00 -5.25 3.99 0.13 -1.84 -3.38 132.00 128.86 3m3m h PRO 148 Ca -0.36 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.24 3m3m h PRO 148 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 3m3m h PRO 148 CO 0.59 0.00 -0.58 0.71 -0.23 0.00 0.00 178.00 178.48 3m3m s TYR 149 N -3.28 2.00 0.34 1.56 2.02 -1.01 -4.78 117.35 114.21 3m3m s TYR 149 Ca 0.03 -0.98 0.09 0.00 -0.37 0.00 0.00 57.07 55.84 3m3m s TYR 149 Cb 0.09 -1.35 0.63 0.00 -0.40 0.00 0.00 41.96 40.93 3m3m s TYR 149 CO 0.74 0.03 1.80 -0.07 -1.57 0.00 0.00 175.55 176.48 3m3m h LEU 150 N 1.95 0.19 -7.46 -1.29 3.38 -1.87 -3.33 115.31 106.87 3m3m h LEU 150 Ca -0.40 -0.06 -0.66 0.00 0.09 0.00 0.00 57.88 56.84 3m3m h LEU 150 Cb 1.25 -0.05 -0.39 0.00 0.09 0.00 0.00 40.66 41.57 3m3m h LEU 150 CO 0.69 0.49 -0.51 -0.69 0.09 0.00 0.00 178.44 178.51 3m3m s VAL 151 N -4.36 3.08 0.00 1.22 1.01 -1.26 -5.02 120.40 115.07 3m3m s VAL 151 Ca -0.04 -3.16 0.00 0.00 0.00 0.00 0.00 61.98 58.77 3m3m s VAL 151 Cb 0.14 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.45 3m3m s VAL 151 CO 0.75 -0.83 0.00 0.61 0.00 0.00 0.00 175.10 175.63 3m3m n GLY 152 N 3.28 3.19 1.15 4.51 0.00 -1.25 -3.27 105.19 112.80 3m3m n GLY 152 Ca 0.06 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.91 3m3m n GLY 152 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3m3m n GLU 153 N 14.00 2.47 -4.70 1.61 -0.58 -1.26 -2.40 120.64 129.78 3m3m n GLU 153 Ca 0.00 -2.26 -0.29 0.00 -0.42 0.00 0.00 57.16 54.19 3m3m n GLU 153 Cb 0.00 -1.51 -0.17 0.00 -0.57 0.00 0.00 31.44 29.19 3m3m n GLU 153 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3m3m s HIS 154 N -1.32 2.10 0.22 -0.32 3.76 -1.20 -4.91 115.29 113.62 3m3m s HIS 154 Ca 0.41 -0.93 -0.32 0.00 -0.15 0.00 0.00 55.06 54.08 3m3m s HIS 154 Cb 0.23 -1.47 -0.12 0.00 1.11 0.00 0.00 32.58 32.32 3m3m s HIS 154 CO 0.31 -0.44 1.64 0.98 -0.85 0.00 0.00 174.74 176.38 3m3m n TYR 155 N 3.94 2.66 -4.21 1.40 9.36 -1.26 -4.61 117.16 124.44 3m3m n TYR 155 Ca -0.20 0.16 -0.17 0.00 3.32 0.00 0.00 57.90 61.01 3m3m n TYR 155 Cb 0.52 -2.62 -0.06 0.00 -0.63 0.00 0.00 39.34 36.55 3m3m n TYR 155 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3m3m n SER 156 N 3.29 -0.87 0.02 2.98 3.41 -1.26 -4.47 113.62 116.71 3m3m n SER 156 Ca 0.14 -3.04 0.09 0.00 -0.26 0.00 0.00 58.87 55.80 3m3m n SER 156 Cb 0.34 1.87 0.37 0.00 -0.26 0.00 0.00 64.21 66.53 3m3m n SER 156 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3m3m n ILE 157 N -0.60 0.86 -0.13 -1.33 -5.35 -0.12 -1.42 119.36 111.28 3m3m n ILE 157 Ca 0.06 0.21 -0.12 0.00 -0.27 0.00 0.00 62.75 62.63 3m3m n ILE 157 Cb 0.58 -0.96 -0.02 0.00 -1.74 0.00 0.00 39.64 37.49 3m3m n ILE 157 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3m3m h ALA 158 N 2.52 0.52 -0.32 -1.28 0.00 -1.84 -1.18 119.26 117.67 3m3m h ALA 158 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3m3m h ALA 158 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3m3m h ALA 158 CO 0.00 0.42 0.10 -0.44 0.00 0.00 0.00 179.25 179.33 3m3m h ASP 159 N 0.55 0.48 -0.33 0.00 3.32 -1.63 -2.11 116.42 116.69 3m3m h ASP 159 Ca 0.09 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 56.96 3m3m h ASP 159 Cb 0.68 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 3m3m h ASP 159 CO 0.05 0.56 0.10 0.40 -1.72 0.00 0.00 179.24 178.63 3m3m h ILE 160 N 0.37 0.90 -0.48 0.35 2.04 -1.44 0.28 117.51 119.52 3m3m h ILE 160 Ca 0.10 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.94 3m3m h ILE 160 Cb 0.26 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 3m3m h ILE 160 CO -0.00 0.04 0.20 0.00 0.00 0.00 0.00 178.15 178.39 3m3m h ALA 161 N 1.21 0.59 0.00 1.87 0.00 -1.07 -2.65 119.26 119.22 3m3m h ALA 161 Ca 0.15 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3m3m h ALA 161 Cb 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3m3m h ALA 161 CO -0.16 -0.18 -0.54 -0.07 0.00 0.00 0.00 179.25 178.31 3m3m h LEU 162 N 0.40 0.00 -0.80 0.00 3.38 -1.09 -3.31 115.31 113.88 3m3m h LEU 162 Ca 0.22 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 3m3m h LEU 162 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3m3m h LEU 162 CO -0.20 0.42 -0.47 0.22 0.09 0.00 0.00 178.44 178.50 3m3m h TYR 163 N 0.00 0.35 -0.15 1.13 3.20 -0.17 -2.14 116.97 119.19 3m3m h TYR 163 Ca -0.02 -0.11 0.04 0.00 3.14 0.00 0.00 58.73 61.78 3m3m h TYR 163 Cb 1.34 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.50 3m3m h TYR 163 CO 0.00 0.71 -0.09 0.00 -1.64 0.00 0.00 178.16 177.14 3m3m h ALA 164 N 1.27 0.03 0.00 1.82 0.00 -1.57 -0.41 119.26 120.40 3m3m h ALA 164 Ca 0.01 0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.71 3m3m h ALA 164 Cb 0.93 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 3m3m h ALA 164 CO 0.08 -0.54 -1.77 0.66 0.00 0.00 0.00 179.25 177.68 3m3m n TYR 165 N -5.24 0.80 -0.37 0.00 4.01 -1.25 -4.30 117.16 110.81 3m3m n TYR 165 Ca -0.03 0.28 -0.02 0.00 -0.16 0.00 0.00 57.90 57.97 3m3m n TYR 165 Cb 0.16 -1.12 0.11 0.00 -0.31 0.00 0.00 39.34 38.18 3m3m n TYR 165 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3m3m h THR 166 N 0.00 1.26 0.00 -0.72 2.02 -1.03 -2.14 112.91 112.30 3m3m h THR 166 Ca -0.30 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 3m3m h THR 166 Cb 1.94 -0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 68.18 3m3m h THR 166 CO 0.06 0.26 -0.00 1.12 0.37 0.00 0.00 175.52 177.33 3m3m h HIS 167 N 1.34 0.00 -0.24 3.16 2.07 -1.27 -1.11 115.15 119.11 3m3m h HIS 167 Ca 0.36 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.84 3m3m h HIS 167 Cb -0.12 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.84 3m3m h HIS 167 CO 0.00 0.00 -0.02 1.33 -3.07 0.00 0.00 177.93 176.17 3m3m n VAL 168 N -3.16 2.29 0.27 6.12 0.24 -0.85 -4.71 118.33 118.53 3m3m n VAL 168 Ca -0.03 -2.15 0.14 0.00 -2.04 0.00 0.00 64.34 60.26 3m3m n VAL 168 Cb 0.09 -0.27 0.74 0.00 -1.47 0.00 0.00 33.84 32.93 3m3m n VAL 168 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3m3m h ALA 169 N 1.33 1.21 0.00 2.33 0.00 -0.70 0.12 119.26 123.55 3m3m h ALA 169 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3m3m h ALA 169 Cb 1.42 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 3m3m h ALA 169 CO 0.23 0.14 -0.13 0.38 0.00 0.00 0.00 179.25 179.86 3m3m h ASP 170 N 0.00 0.00 0.76 0.00 2.03 -1.81 -1.12 116.42 116.29 3m3m h ASP 170 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3m3m h ASP 170 Cb 0.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.86 3m3m h ASP 170 CO 0.01 0.13 0.00 -0.62 -1.03 0.00 0.00 179.24 177.73 3m3m n GLU 171 N -3.93 0.14 -0.36 4.15 1.02 0.41 -1.35 120.64 120.72 3m3m n GLU 171 Ca -0.02 0.33 0.08 0.00 -0.02 0.00 0.00 57.16 57.52 3m3m n GLU 171 Cb 0.22 -1.74 0.24 0.00 -0.02 0.00 0.00 31.44 30.14 3m3m n GLU 171 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m3m n GLY 172 N 0.23 3.12 1.81 0.62 0.00 -0.46 -3.66 105.19 106.85 3m3m n GLY 172 Ca 0.03 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3m3m n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m3m n GLY 173 N 0.41 0.71 3.74 -0.02 0.00 -0.46 -4.52 105.19 105.05 3m3m n GLY 173 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3m3m n GLY 173 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m3m s PHE 174 N -2.56 3.56 -0.53 1.61 0.08 -0.98 -4.98 117.98 114.18 3m3m s PHE 174 Ca 0.00 1.56 -0.16 0.00 0.12 0.00 0.00 56.93 58.45 3m3m s PHE 174 Cb 0.00 -3.31 0.12 0.00 -0.57 0.00 0.00 43.02 39.26 3m3m s PHE 174 CO 0.00 -0.74 0.50 0.34 -0.10 0.00 0.00 175.22 175.22 3m3m s ASP 175 N -0.05 6.18 0.00 1.36 2.15 -1.26 -3.69 116.67 121.36 3m3m s ASP 175 Ca 0.50 -1.66 0.26 0.00 0.43 0.00 0.00 52.55 52.08 3m3m s ASP 175 Cb -0.30 -2.21 1.27 0.00 -0.30 0.00 0.00 42.92 41.38 3m3m s ASP 175 CO 0.35 -0.84 1.87 0.18 -0.17 0.00 0.00 175.17 176.57 3m3m n LEU 176 N 5.33 0.00 0.21 -1.34 4.77 -1.26 -2.48 117.00 122.23 3m3m n LEU 176 Ca -0.13 0.34 0.15 0.00 -0.03 0.00 0.00 56.01 56.33 3m3m n LEU 176 Cb 0.41 -0.34 0.67 0.00 -2.33 0.00 0.00 43.42 41.83 3m3m n LEU 176 CO 0.53 -0.04 0.94 0.77 -1.33 0.00 0.00 177.39 178.25 3m3m h SER 177 N 0.00 0.00 0.54 -1.43 4.64 -2.03 -0.66 113.55 114.61 3m3m h SER 177 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m3m h SER 177 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3m3m h SER 177 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 3m3m n ARG 178 N -2.59 0.05 -3.48 4.77 1.74 -1.03 -4.35 116.66 111.77 3m3m n ARG 178 Ca 0.00 0.19 -0.27 0.00 -0.77 0.00 0.00 57.85 57.01 3m3m n ARG 178 Cb 0.19 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.04 3m3m n ARG 178 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3m3m n TYR 179 N -1.46 1.82 0.24 -1.55 4.01 -0.25 -4.94 117.16 115.03 3m3m n TYR 179 Ca 0.05 -3.91 0.12 0.00 -0.16 0.00 0.00 57.90 54.00 3m3m n TYR 179 Cb 0.19 -0.38 0.60 0.00 -0.31 0.00 0.00 39.34 39.43 3m3m n TYR 179 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3m3m h PRO 180 N 4.67 0.00 -0.26 -0.72 0.13 -1.76 -0.36 132.00 133.70 3m3m h PRO 180 Ca 0.17 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.16 3m3m h PRO 180 Cb 0.78 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 3m3m h PRO 180 CO 0.64 0.16 -0.38 0.78 -0.23 0.00 0.00 178.00 178.97 3m3m h GLY 181 N 1.57 0.78 0.73 1.56 0.00 -1.89 -0.92 103.07 104.90 3m3m h GLY 181 Ca -0.00 -0.87 0.04 0.00 0.00 0.00 0.00 47.33 46.50 3m3m h GLY 181 CO 0.02 0.78 0.26 -2.22 0.00 0.00 0.00 176.54 175.39 3m3m h ILE 182 N 0.45 0.96 -0.87 2.60 2.04 -1.75 -1.58 117.51 119.36 3m3m h ILE 182 Ca 0.03 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 3m3m h ILE 182 Cb 0.97 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3m3m h ILE 182 CO 0.09 0.09 0.47 1.56 0.00 0.00 0.00 178.15 180.36 3m3m h GLN 183 N 0.52 1.22 -0.12 2.37 4.20 -0.99 -2.22 115.11 120.09 3m3m h GLN 183 Ca 0.23 -0.15 -0.14 0.00 0.06 0.00 0.00 58.65 58.65 3m3m h GLN 183 Cb 0.13 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3m3m h GLN 183 CO -0.15 0.90 -0.54 0.00 -0.67 0.00 0.00 178.83 178.36 3m3m h ALA 184 N 1.25 0.85 0.00 3.87 0.00 -0.99 -1.12 119.26 123.13 3m3m h ALA 184 Ca 0.31 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3m3m h ALA 184 Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3m3m h ALA 184 CO -0.05 0.69 0.00 1.87 0.00 0.00 0.00 179.25 181.76 3m3m n TRP 185 N -3.93 0.00 0.00 0.00 -0.00 -0.61 -1.93 117.44 110.97 3m3m n TRP 185 Ca -0.02 -0.12 0.00 0.00 -0.00 0.00 0.00 57.50 57.36 3m3m n TRP 185 Cb 0.58 -0.13 0.00 0.00 -0.00 0.00 0.00 31.31 31.77 3m3m n TRP 185 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 3m3m n GLN 187 N 0.80 0.00 -0.13 5.87 1.13 -0.42 -0.89 117.38 123.73 3m3m n GLN 187 Ca 0.00 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 3m3m n GLN 187 Cb 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.47 3m3m n GLN 187 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3m3m h ARG 188 N 0.00 0.61 0.07 -1.09 3.08 -1.68 -1.83 114.38 113.54 3m3m h ARG 188 Ca 0.00 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 59.93 3m3m h ARG 188 Cb 0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3m3m h ARG 188 CO 0.00 0.62 -0.11 0.28 -1.07 0.00 0.00 179.97 179.69 3m3m h VAL 189 N 0.48 0.74 0.00 2.04 2.07 -1.31 -2.59 116.25 117.68 3m3m h VAL 189 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 3m3m h VAL 189 Cb 0.26 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3m3m h VAL 189 CO -0.00 0.00 0.00 1.56 0.02 0.00 0.00 177.57 179.15 3m3m h GLN 190 N -0.22 0.00 -0.00 1.57 4.20 -1.78 -2.18 115.11 116.69 3m3m h GLN 190 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3m3m h GLN 190 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3m3m h GLN 190 CO -0.06 0.00 -0.16 -1.13 -0.67 0.00 0.00 178.83 176.81 3m3m n SER 191 N -2.58 0.48 -4.76 1.46 3.41 -0.70 -4.79 113.62 106.15 3m3m n SER 191 Ca -0.00 -0.45 -0.41 0.00 -0.26 0.00 0.00 58.87 57.74 3m3m n SER 191 Cb 0.15 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.02 3m3m n SER 191 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3m3m s HIS 192 N -2.60 2.92 0.36 7.33 5.04 -0.82 -4.83 115.29 122.69 3m3m s HIS 192 Ca 0.25 1.08 0.38 0.00 -1.54 0.00 0.00 55.06 55.23 3m3m s HIS 192 Cb 0.20 -3.86 1.96 0.00 0.04 0.00 0.00 32.58 30.92 3m3m s HIS 192 CO 0.51 -2.70 2.16 -1.00 -2.34 0.00 0.00 174.74 171.37 3m3m h PRO 193 N 4.40 0.00 -0.47 2.88 0.13 -1.91 -1.11 132.00 135.92 3m3m h PRO 193 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3m3m h PRO 193 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3m3m h PRO 193 CO 0.74 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.05 3m3m n ARG 194 N -2.92 3.05 -1.73 0.86 1.74 -1.26 -5.01 116.66 111.39 3m3m n ARG 194 Ca -0.02 -2.46 -0.40 0.00 -0.77 0.00 0.00 57.85 54.20 3m3m n ARG 194 Cb 0.12 -1.54 0.02 0.00 -1.02 0.00 0.00 32.46 30.04 3m3m n ARG 194 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 3m3m n HIS 195 N 0.69 2.30 -4.37 -1.55 -0.00 -0.42 -4.24 115.22 107.63 3m3m n HIS 195 Ca 0.18 0.46 -0.21 0.00 0.46 0.00 0.00 57.72 58.62 3m3m n HIS 195 Cb 0.63 -2.39 -0.13 0.00 -0.12 0.00 0.00 29.99 27.98 3m3m n HIS 195 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 3m3m s VAL 196 N -1.23 1.18 0.00 3.57 -7.23 -1.26 -5.04 120.40 110.39 3m3m s VAL 196 Ca 0.64 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.75 3m3m s VAL 196 Cb -0.46 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.40 3m3m s VAL 196 CO 0.55 0.01 0.00 -0.81 -0.31 0.00 0.00 175.10 174.54 3m3m n PRO 197 N 1.82 0.00 -0.95 4.82 -0.04 -1.26 -4.85 135.00 134.54 3m3m n PRO 197 Ca -0.18 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.94 3m3m n PRO 197 Cb 0.54 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.98 3m3m n PRO 197 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3m3m n LEU 199 N 0.00 -0.69 0.00 1.53 4.77 -1.26 -4.97 117.00 116.38 3m3m n LEU 199 Ca 0.00 0.76 0.12 0.00 -0.03 0.00 0.00 56.01 56.86 3m3m n LEU 199 Cb 0.00 -0.63 0.71 0.00 -2.33 0.00 0.00 43.42 41.16 3m3m n LEU 199 CO 0.00 -1.88 0.89 0.47 -1.33 0.00 0.00 177.39 175.54