#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yro s SER 2 N 0.00 -1.06 0.38 1.61 1.04 -1.26 -5.17 113.70 109.24 2yro s SER 2 Ca 0.00 1.14 0.04 0.00 0.48 0.00 0.00 55.95 57.61 2yro s SER 2 Cb 0.00 2.07 -0.04 0.00 0.10 0.00 0.00 66.02 68.15 2yro s SER 2 CO 0.00 -0.24 0.09 -0.94 0.98 0.00 0.00 173.24 173.12 2yro s SER 3 N 2.83 2.68 -0.06 7.02 1.04 -1.26 -5.16 113.70 120.80 2yro s SER 3 Ca 0.07 -1.53 0.06 0.00 0.48 0.00 0.00 55.95 55.03 2yro s SER 3 Cb -0.13 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.20 2yro s SER 3 CO -0.19 -0.77 -0.24 -0.83 0.98 0.00 0.00 173.24 172.19 2yro s GLY 4 N -3.57 1.32 -0.26 7.32 0.00 -1.26 -5.02 107.32 105.85 2yro s GLY 4 Ca 0.28 -1.05 -0.04 0.00 0.00 0.00 0.00 44.72 43.92 2yro s GLY 4 CO 0.14 -0.67 -0.27 -1.14 0.00 0.00 0.00 173.10 171.16 2yro n SER 5 N 2.87 1.99 -4.88 1.64 3.41 -1.26 -4.99 113.62 112.40 2yro n SER 5 Ca -0.17 0.04 -0.30 0.00 -0.26 0.00 0.00 58.87 58.18 2yro n SER 5 Cb 0.52 -0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 63.91 2yro n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yro s SER 6 N -6.81 6.42 -0.03 4.04 1.04 -1.26 -5.09 113.70 112.01 2yro s SER 6 Ca -0.35 1.13 0.06 0.00 0.48 0.00 0.00 55.95 57.27 2yro s SER 6 Cb 0.11 -2.33 -0.01 0.00 0.10 0.00 0.00 66.02 63.89 2yro s SER 6 CO 0.54 -0.52 -0.23 -0.83 0.98 0.00 0.00 173.24 173.19 2yro s GLY 7 N -3.55 1.14 0.30 7.32 0.00 -1.26 -4.91 107.32 106.36 2yro s GLY 7 Ca 0.51 -0.96 -0.29 0.00 0.00 0.00 0.00 44.72 43.98 2yro s GLY 7 CO 0.38 -0.69 1.24 2.56 0.00 0.00 0.00 173.10 176.59 2yro s PRO 8 N -0.33 4.45 -0.13 2.90 0.04 -1.26 -5.02 135.00 135.66 2yro s PRO 8 Ca 0.03 2.06 -0.00 0.00 0.04 0.00 0.00 61.00 63.12 2yro s PRO 8 Cb -0.11 -3.13 0.03 0.00 0.04 0.00 0.00 34.50 31.33 2yro s PRO 8 CO 0.01 -0.07 -0.08 0.21 0.04 0.00 0.00 177.00 177.12 2yro s LYS 9 N -1.44 1.59 -0.21 4.56 2.36 -1.26 -5.11 119.74 120.23 2yro s LYS 9 Ca 0.48 -0.35 0.00 0.00 -2.55 0.00 0.00 55.97 53.56 2yro s LYS 9 Cb -0.37 -1.75 0.05 0.00 -1.05 0.00 0.00 37.83 34.72 2yro s LYS 9 CO 0.47 -0.30 -0.07 0.45 1.55 0.00 0.00 175.35 177.45 2yro s SER 10 N 1.67 3.47 0.00 1.43 0.15 -1.26 -4.93 113.70 114.23 2yro s SER 10 Ca 0.04 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.72 2yro s SER 10 Cb -0.13 -1.14 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 2yro s SER 10 CO -0.08 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2yro n GLY 11 N 4.72 0.00 2.89 9.45 0.00 -1.26 -5.16 105.19 115.83 2yro n GLY 11 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 2yro n GLY 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yro s THR 12 N 0.00 -0.01 -0.73 2.61 -4.23 -1.26 -5.10 115.64 106.92 2yro s THR 12 Ca 0.00 0.02 -0.26 0.00 -1.18 0.00 0.00 61.69 60.28 2yro s THR 12 Cb 0.00 -0.05 -0.03 0.00 1.34 0.00 0.00 72.50 73.75 2yro s THR 12 CO 0.00 0.01 1.90 -2.16 -0.54 0.00 0.00 174.62 173.83 2yro s PRO 13 N 0.13 2.59 0.34 3.99 0.04 -1.26 -4.90 135.00 135.93 2yro s PRO 13 Ca -0.01 0.24 -0.05 0.00 0.04 0.00 0.00 61.00 61.22 2yro s PRO 13 Cb -0.02 -4.67 0.01 0.00 0.04 0.00 0.00 34.50 29.86 2yro s PRO 13 CO -0.00 -3.00 0.50 -0.65 0.04 0.00 0.00 177.00 173.88 2yro s GLN 14 N 7.03 1.90 1.21 4.56 -0.21 -1.26 -5.16 119.66 127.72 2yro s GLN 14 Ca 0.68 -1.68 -0.14 0.00 0.02 0.00 0.00 55.36 54.24 2yro s GLN 14 Cb -0.10 0.46 0.30 0.00 1.00 0.00 0.00 33.01 34.67 2yro s GLN 14 CO 0.12 -0.79 1.01 -0.51 -2.12 0.00 0.00 175.29 172.99 2yro s LEU 15 N -3.20 0.49 0.08 2.90 1.43 -1.26 -5.07 118.68 114.05 2yro s LEU 15 Ca 0.29 1.42 -0.17 0.00 -1.03 0.00 0.00 54.13 54.63 2yro s LEU 15 Cb -0.01 -3.24 0.03 0.00 0.03 0.00 0.00 46.19 43.01 2yro s LEU 15 CO 0.18 -4.43 0.40 -0.44 0.23 0.00 0.00 176.35 172.29 2yro s SER 16 N -2.55 -0.25 0.12 2.29 0.01 -1.26 -4.69 113.70 107.37 2yro s SER 16 Ca 0.69 -0.16 -0.00 0.00 1.31 0.00 0.00 55.95 57.78 2yro s SER 16 Cb -0.24 0.44 -0.04 0.00 0.21 0.00 0.00 66.02 66.39 2yro s SER 16 CO 0.64 -0.75 0.28 -0.76 0.41 0.00 0.00 173.24 173.07 2yro s LEU 17 N -2.38 4.32 0.24 2.44 1.43 -1.26 -3.35 118.68 120.11 2yro s LEU 17 Ca -0.01 0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 53.09 2yro s LEU 17 Cb 0.01 -3.03 -0.09 0.00 0.03 0.00 0.00 46.19 43.11 2yro s LEU 17 CO -0.07 0.09 1.28 -2.16 0.23 0.00 0.00 176.35 175.71 2yro s PRO 18 N -2.87 4.42 -0.45 1.29 0.04 -1.26 -5.04 135.00 131.13 2yro s PRO 18 Ca 0.36 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 63.29 2yro s PRO 18 Cb -0.12 -3.17 0.04 0.00 0.04 0.00 0.00 34.50 31.29 2yro s PRO 18 CO 0.28 -0.17 0.40 0.12 0.04 0.00 0.00 177.00 177.66 2yro s PHE 19 N -0.32 3.21 -0.35 0.56 5.36 0.85 -4.97 117.98 122.32 2yro s PHE 19 Ca 0.53 -0.67 0.02 0.00 -0.96 0.00 0.00 56.93 55.85 2yro s PHE 19 Cb -0.36 -2.97 0.10 0.00 -0.34 0.00 0.00 43.02 39.45 2yro s PHE 19 CO 0.42 -0.74 0.10 0.00 -1.46 0.00 0.00 175.22 173.54 2yro s ALA 20 N 1.85 2.40 0.05 11.12 0.00 -1.26 -0.55 121.76 135.37 2yro s ALA 20 Ca 0.07 -2.30 -0.01 0.00 0.00 0.00 0.00 51.96 49.72 2yro s ALA 20 Cb -0.21 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 2yro s ALA 20 CO 0.10 -1.74 -0.03 0.00 0.00 0.00 0.00 175.76 174.09 2yro s ALA 21 N 1.02 0.49 0.12 0.00 0.00 -1.15 -5.01 121.76 117.23 2yro s ALA 21 Ca 0.12 -1.12 0.06 0.00 0.00 0.00 0.00 51.96 51.02 2yro s ALA 21 Cb -0.19 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2yro s ALA 21 CO -0.13 -0.32 -0.02 -0.98 0.00 0.00 0.00 175.76 174.31 2yro s ARG 22 N -3.50 2.40 0.09 0.00 1.70 -1.26 -0.35 118.95 118.02 2yro s ARG 22 Ca 0.04 -0.97 -0.19 0.00 -0.47 0.00 0.00 55.73 54.13 2yro s ARG 22 Cb 0.05 -2.43 -0.07 0.00 -0.57 0.00 0.00 34.95 31.93 2yro s ARG 22 CO -0.08 0.51 0.59 -0.51 -1.08 0.00 0.00 175.30 174.72 2yro s LEU 23 N -2.49 4.51 0.37 -1.89 1.43 0.35 -4.95 118.68 116.02 2yro s LEU 23 Ca 0.25 1.28 0.20 0.00 -1.03 0.00 0.00 54.13 54.84 2yro s LEU 23 Cb -0.11 -2.97 1.31 0.00 0.03 0.00 0.00 46.19 44.45 2yro s LEU 23 CO 0.17 0.25 1.59 0.78 0.23 0.00 0.00 176.35 179.38 2yro h ASN 24 N 4.41 0.35 -4.14 2.29 2.35 -2.00 -3.40 115.58 115.45 2yro h ASN 24 Ca -0.49 0.25 -0.39 0.00 -0.55 0.00 0.00 56.30 55.11 2yro h ASN 24 Cb 1.21 0.25 -0.18 0.00 0.05 0.00 0.00 38.32 39.65 2yro h ASN 24 CO 0.64 -0.39 -0.75 0.42 -1.65 0.00 0.00 177.43 175.70 2yro s THR 25 N -5.54 1.23 -0.04 2.81 -4.23 -1.26 -5.12 115.64 103.49 2yro s THR 25 Ca -0.09 -1.69 -0.30 0.00 -1.18 0.00 0.00 61.69 58.43 2yro s THR 25 Cb 0.33 -1.48 -0.05 0.00 1.34 0.00 0.00 72.50 72.64 2yro s THR 25 CO 0.78 -0.45 1.48 -2.16 -0.54 0.00 0.00 174.62 173.73 2yro s PRO 26 N -2.69 4.23 1.15 3.99 0.04 -1.26 -4.86 135.00 135.61 2yro s PRO 26 Ca 0.08 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 62.94 2yro s PRO 26 Cb -0.04 -3.74 0.28 0.00 0.04 0.00 0.00 34.50 31.04 2yro s PRO 26 CO 0.02 -0.70 1.18 0.00 0.04 0.00 0.00 177.00 177.54 2yro n MET 27 N 6.16 -2.55 0.00 4.56 0.00 0.46 -4.88 117.12 120.88 2yro n MET 27 Ca 0.15 -1.86 0.00 0.00 0.00 0.00 0.00 57.70 55.99 2yro n MET 27 Cb 0.43 -1.56 0.00 0.00 0.00 0.00 0.00 33.22 32.10 2yro n MET 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2yro n GLY 28 N -4.45 -0.73 3.77 3.17 0.00 -1.24 -3.79 105.19 101.92 2yro n GLY 28 Ca 0.16 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 2yro n GLY 28 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yro s PRO 29 N -1.11 3.81 0.00 1.61 0.04 -1.26 -3.10 135.00 134.98 2yro s PRO 29 Ca 0.00 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2yro s PRO 29 Cb 0.00 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2yro s PRO 29 CO 0.00 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 176.94 2yro n GLY 30 N 0.48 2.68 3.82 0.56 0.00 0.80 -4.97 105.19 108.56 2yro n GLY 30 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 2yro n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yro s ARG 31 N -0.02 3.50 -0.19 1.61 1.81 -1.18 -4.59 118.95 119.88 2yro s ARG 31 Ca 0.00 1.12 -0.02 0.00 -1.72 0.00 0.00 55.73 55.11 2yro s ARG 31 Cb 0.00 -2.06 0.06 0.00 -0.45 0.00 0.00 34.95 32.49 2yro s ARG 31 CO 0.00 -0.66 0.01 0.99 -0.68 0.00 0.00 175.30 174.96 2yro s THR 32 N -2.53 0.79 -0.36 0.02 2.01 -0.92 -2.78 115.64 111.86 2yro s THR 32 Ca 0.62 -0.68 -0.10 0.00 0.31 0.00 0.00 61.69 61.84 2yro s THR 32 Cb -0.14 -1.20 0.02 0.00 0.01 0.00 0.00 72.50 71.19 2yro s THR 32 CO 0.36 -0.13 0.19 -0.69 -0.69 0.00 0.00 174.62 173.65 2yro s VAL 33 N 1.74 4.56 0.15 3.82 1.01 0.20 -2.24 120.40 129.64 2yro s VAL 33 Ca -0.02 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.26 2yro s VAL 33 Cb -0.17 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2yro s VAL 33 CO -0.07 -0.15 0.12 0.68 0.00 0.00 0.00 175.10 175.68 2yro s VAL 34 N 1.57 4.48 -0.30 2.92 -7.23 -0.61 -0.50 120.40 120.72 2yro s VAL 34 Ca 0.03 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 2yro s VAL 34 Cb -0.19 -3.26 0.09 0.00 0.56 0.00 0.00 36.38 33.58 2yro s VAL 34 CO 0.06 -0.06 0.07 -0.69 -0.31 0.00 0.00 175.10 174.17 2yro s VAL 35 N -1.68 1.21 -0.25 1.32 1.01 0.15 -2.87 120.40 119.30 2yro s VAL 35 Ca 0.31 -1.53 -0.17 0.00 0.00 0.00 0.00 61.98 60.58 2yro s VAL 35 Cb -0.10 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 2yro s VAL 35 CO 0.23 -0.58 0.49 -0.54 0.00 0.00 0.00 175.10 174.70 2yro s LYS 36 N 1.46 4.09 0.00 2.72 1.02 -1.01 -2.64 119.74 125.39 2yro s LYS 36 Ca 0.08 0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.36 2yro s LYS 36 Cb -0.18 -3.63 0.00 0.00 -0.52 0.00 0.00 37.83 33.51 2yro s LYS 36 CO -0.19 -0.28 0.00 0.41 -0.92 0.00 0.00 175.35 174.37 2yro n GLY 37 N 4.30 3.00 3.30 -3.33 0.00 -1.20 -2.14 105.19 109.12 2yro n GLY 37 Ca -0.05 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 2yro n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yro s GLU 38 N 0.38 0.45 0.45 1.61 2.02 -0.08 -3.37 118.70 120.15 2yro s GLU 38 Ca 0.00 0.72 -0.20 0.00 0.02 0.00 0.00 54.97 55.51 2yro s GLU 38 Cb 0.00 0.09 -0.10 0.00 0.10 0.00 0.00 34.13 34.22 2yro s GLU 38 CO 0.00 -0.12 0.97 0.08 0.02 0.00 0.00 175.26 176.21 2yro s VAL 39 N 0.92 4.34 0.32 2.63 1.01 -0.64 -0.86 120.40 128.13 2yro s VAL 39 Ca -0.06 1.39 -0.17 0.00 0.00 0.00 0.00 61.98 63.15 2yro s VAL 39 Cb -0.06 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 2yro s VAL 39 CO -0.07 -0.38 0.77 0.20 0.00 0.00 0.00 175.10 175.62 2yro s ASN 40 N -2.32 6.84 0.27 3.32 0.01 -1.26 -1.04 114.94 120.76 2yro s ASN 40 Ca 0.62 1.36 -0.01 0.00 -0.71 0.00 0.00 52.86 54.12 2yro s ASN 40 Cb -0.10 -2.41 0.47 0.00 0.41 0.00 0.00 41.25 39.62 2yro s ASN 40 CO 0.17 -0.19 1.84 0.00 -1.51 0.00 0.00 177.10 177.41 2yro h ALA 41 N 2.37 1.38 -0.70 0.60 0.00 -1.91 -1.79 119.26 119.21 2yro h ALA 41 Ca -0.48 0.01 -0.45 0.00 0.00 0.00 0.00 54.91 53.99 2yro h ALA 41 Cb 1.18 -0.21 -0.27 0.00 0.00 0.00 0.00 17.79 18.49 2yro h ALA 41 CO 0.65 0.24 0.01 0.09 0.00 0.00 0.00 179.25 180.24 2yro n ASN 42 N -4.63 4.69 -4.70 0.00 4.13 -1.26 -4.71 115.26 108.79 2yro n ASN 42 Ca 0.16 -3.77 -0.42 0.00 1.68 0.00 0.00 54.58 52.23 2yro n ASN 42 Cb 0.29 -0.66 -0.03 0.00 -1.54 0.00 0.00 39.78 37.84 2yro n ASN 42 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2yro s ALA 43 N -3.52 3.31 -0.04 5.41 0.00 -0.69 -4.97 121.76 121.26 2yro s ALA 43 Ca 0.53 0.53 -0.15 0.00 0.00 0.00 0.00 51.96 52.87 2yro s ALA 43 Cb 0.44 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 20.07 2yro s ALA 43 CO 0.02 -0.44 0.63 -0.22 0.00 0.00 0.00 175.76 175.74 2yro h LYS 44 N 6.98 -0.49 -1.23 0.00 3.64 -1.90 -3.47 116.57 120.09 2yro h LYS 44 Ca -0.37 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.24 2yro h LYS 44 Cb 1.19 0.11 -0.26 0.00 -0.41 0.00 0.00 32.23 32.86 2yro h LYS 44 CO 0.81 -0.31 0.82 -1.12 -2.27 0.00 0.00 179.45 177.38 2yro s SER 45 N -4.97 -0.14 0.49 4.20 0.01 -1.26 -3.86 113.70 108.16 2yro s SER 45 Ca -0.08 0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.35 2yro s SER 45 Cb 0.01 0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.33 2yro s SER 45 CO 0.25 -0.14 0.03 0.72 0.41 0.00 0.00 173.24 174.51 2yro s PHE 46 N -1.13 2.03 0.03 2.43 -0.71 -1.26 -2.77 117.98 116.58 2yro s PHE 46 Ca 0.06 -0.87 -0.28 0.00 -1.04 0.00 0.00 56.93 54.79 2yro s PHE 46 Cb -0.01 -1.67 0.07 0.00 -1.21 0.00 0.00 43.02 40.20 2yro s PHE 46 CO -0.05 0.25 0.66 0.54 -1.34 0.00 0.00 175.22 175.28 2yro s ASN 47 N -3.86 -0.62 -0.25 1.98 4.22 -0.10 -3.04 114.94 113.27 2yro s ASN 47 Ca 0.15 0.44 -0.00 0.00 -2.14 0.00 0.00 52.86 51.31 2yro s ASN 47 Cb 0.03 0.56 0.07 0.00 1.28 0.00 0.00 41.25 43.19 2yro s ASN 47 CO 0.08 -0.74 0.01 -0.69 -2.04 0.00 0.00 177.10 173.72 2yro s VAL 48 N -2.15 1.20 -0.42 3.54 1.01 -0.80 -2.04 120.40 120.73 2yro s VAL 48 Ca -0.06 -1.18 -0.18 0.00 0.00 0.00 0.00 61.98 60.56 2yro s VAL 48 Cb -0.00 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.75 2yro s VAL 48 CO 0.01 -0.29 0.47 -1.81 0.00 0.00 0.00 175.10 173.48 2yro s ASP 49 N 1.52 6.22 -0.40 3.32 1.01 -0.04 -2.87 116.67 125.43 2yro s ASP 49 Ca 0.00 -0.61 -0.10 0.00 0.71 0.00 0.00 52.55 52.54 2yro s ASP 49 Cb -0.18 -2.24 0.05 0.00 1.01 0.00 0.00 42.92 41.56 2yro s ASP 49 CO -0.11 -0.61 0.24 -0.22 0.21 0.00 0.00 175.17 174.68 2yro s LEU 50 N 2.24 4.96 0.40 1.23 2.96 -0.73 -1.38 118.68 128.37 2yro s LEU 50 Ca 0.14 -1.24 0.05 0.00 -0.22 0.00 0.00 54.13 52.86 2yro s LEU 50 Cb -0.17 -2.02 -0.06 0.00 0.50 0.00 0.00 46.19 44.44 2yro s LEU 50 CO 0.14 -0.47 0.03 -1.48 -1.32 0.00 0.00 176.35 173.25 2yro s LEU 51 N 1.50 2.56 -0.44 -0.68 0.05 -1.21 -0.97 118.68 119.50 2yro s LEU 51 Ca 0.02 -1.42 -0.09 0.00 0.05 0.00 0.00 54.13 52.69 2yro s LEU 51 Cb -0.21 -0.69 0.10 0.00 -2.05 0.00 0.00 46.19 43.33 2yro s LEU 51 CO 0.05 -0.57 0.30 0.00 -0.55 0.00 0.00 176.35 175.57 2yro s ALA 52 N -2.92 3.33 0.39 1.48 0.00 -0.55 -3.16 121.76 120.33 2yro s ALA 52 Ca 0.31 -2.37 0.31 0.00 0.00 0.00 0.00 51.96 50.22 2yro s ALA 52 Cb 0.08 -2.72 1.27 0.00 0.00 0.00 0.00 23.12 21.75 2yro s ALA 52 CO 0.15 -1.78 1.26 0.41 0.00 0.00 0.00 175.76 175.79 2yro n GLY 53 N 4.89 -0.72 0.42 0.00 0.00 -1.26 0.21 105.19 108.73 2yro n GLY 53 Ca -0.09 0.59 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 2yro n GLY 53 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2yro h LYS 54 N 0.00 -0.43 0.00 1.61 3.11 -1.93 -3.11 116.57 115.82 2yro h LYS 54 Ca 0.73 0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 58.58 2yro h LYS 54 Cb 2.55 0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 33.84 2yro h LYS 54 CO -0.25 -0.28 -0.50 0.43 -2.81 0.00 0.00 179.45 176.03 2yro n SER 55 N -5.15 1.68 -3.61 4.20 7.64 0.46 -4.98 113.62 113.86 2yro n SER 55 Ca -0.04 -3.62 -0.24 0.00 1.01 0.00 0.00 58.87 55.98 2yro n SER 55 Cb 0.33 -0.49 -0.06 0.00 -1.01 0.00 0.00 64.21 62.97 2yro n SER 55 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2yro n LYS 56 N -0.98 -0.90 -3.80 1.43 4.01 0.13 -4.85 118.16 113.20 2yro n LYS 56 Ca 0.17 0.07 -0.36 0.00 -0.51 0.00 0.00 58.31 57.68 2yro n LYS 56 Cb 0.73 -2.67 -0.12 0.00 -0.51 0.00 0.00 35.03 32.46 2yro n LYS 56 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2yro s ASP 57 N -3.29 5.22 -0.48 4.39 1.11 -1.23 -4.81 116.67 117.58 2yro s ASP 57 Ca 0.24 -0.16 -0.28 0.00 0.18 0.00 0.00 52.55 52.53 2yro s ASP 57 Cb -0.14 -1.93 0.00 0.00 1.07 0.00 0.00 42.92 41.92 2yro s ASP 57 CO 0.66 -0.00 1.56 -0.63 1.18 0.00 0.00 175.17 177.94 2yro s ILE 58 N 1.43 3.69 0.08 0.77 1.01 -1.07 -1.49 121.20 125.63 2yro s ILE 58 Ca 0.06 0.63 -0.14 0.00 0.00 0.00 0.00 60.65 61.19 2yro s ILE 58 Cb -0.15 -4.13 -0.19 0.00 0.01 0.00 0.00 42.46 38.00 2yro s ILE 58 CO 0.04 -0.86 1.24 0.00 0.00 0.00 0.00 174.94 175.36 2yro h ALA 59 N 11.94 0.21 -3.36 9.38 0.00 -1.31 -2.86 119.26 133.26 2yro h ALA 59 Ca -0.28 -0.63 -0.24 0.00 0.00 0.00 0.00 54.91 53.76 2yro h ALA 59 Cb 1.12 0.02 -0.31 0.00 0.00 0.00 0.00 17.79 18.63 2yro h ALA 59 CO 1.13 0.65 -0.62 -1.17 0.00 0.00 0.00 179.25 179.24 2yro s LEU 60 N -8.31 1.04 -0.35 0.00 2.96 -1.12 -4.48 118.68 108.43 2yro s LEU 60 Ca -0.10 0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 2yro s LEU 60 Cb 0.07 0.30 0.11 0.00 0.50 0.00 0.00 46.19 47.18 2yro s LEU 60 CO 0.90 -0.11 0.14 -2.28 -1.32 0.00 0.00 176.35 173.68 2yro s HIS 61 N 0.82 1.87 -0.42 5.38 5.65 0.80 -1.77 115.29 127.61 2yro s HIS 61 Ca -0.06 -2.00 -0.12 0.00 0.25 0.00 0.00 55.06 53.13 2yro s HIS 61 Cb -0.08 -1.81 0.06 0.00 -1.18 0.00 0.00 32.58 29.57 2yro s HIS 61 CO -0.04 -0.85 0.29 -0.51 -0.65 0.00 0.00 174.74 172.98 2yro s LEU 62 N 1.20 5.20 -0.40 8.88 1.43 -1.14 -1.77 118.68 132.08 2yro s LEU 62 Ca 0.12 -1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 51.89 2yro s LEU 62 Cb -0.20 -2.06 0.11 0.00 0.03 0.00 0.00 46.19 44.08 2yro s LEU 62 CO -0.16 -0.53 0.17 0.21 0.23 0.00 0.00 176.35 176.27 2yro s ASN 63 N 2.12 5.08 1.07 2.29 3.04 -0.52 -1.91 114.94 126.12 2yro s ASN 63 Ca 0.03 -2.15 -0.15 0.00 0.04 0.00 0.00 52.86 50.64 2yro s ASN 63 Cb -0.22 -1.77 0.22 0.00 -1.54 0.00 0.00 41.25 37.94 2yro s ASN 63 CO 0.05 -0.48 1.10 -2.16 -3.04 0.00 0.00 177.10 172.57 2yro s PRO 64 N 0.96 -0.16 -0.14 0.43 0.04 -1.17 -2.83 135.00 132.13 2yro s PRO 64 Ca 0.10 0.31 -0.10 0.00 0.04 0.00 0.00 61.00 61.35 2yro s PRO 64 Cb -0.22 -1.69 0.05 0.00 0.04 0.00 0.00 34.50 32.68 2yro s PRO 64 CO -0.05 -3.08 0.36 1.03 0.04 0.00 0.00 177.00 175.29 2yro s ARG 65 N -5.10 0.37 -0.28 4.56 0.52 -1.10 -4.21 118.95 113.71 2yro s ARG 65 Ca 0.67 0.62 -0.12 0.00 -0.52 0.00 0.00 55.73 56.37 2yro s ARG 65 Cb -0.16 0.05 -0.13 0.00 0.52 0.00 0.00 34.95 35.24 2yro s ARG 65 CO 0.57 -0.11 -0.34 1.28 0.02 0.00 0.00 175.30 176.72 2yro n LEU 66 N 3.67 2.07 0.00 2.53 4.77 -1.25 -2.74 117.00 126.05 2yro n LEU 66 Ca -0.19 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2yro n LEU 66 Cb 0.56 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2yro n LEU 66 CO 0.12 0.62 0.36 -3.20 -1.33 0.00 0.00 177.39 173.95 2yro n ASN 67 N -4.14 0.00 0.05 -1.43 2.85 -1.26 -1.21 115.26 110.12 2yro n ASN 67 Ca -0.54 0.71 0.12 0.00 -0.11 0.00 0.00 54.58 54.76 2yro n ASN 67 Cb 0.90 -0.32 0.23 0.00 1.24 0.00 0.00 39.78 41.83 2yro n ASN 67 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2yro n ILE 68 N -2.42 0.27 -2.78 -1.44 -0.00 -1.26 -4.97 119.36 106.76 2yro n ILE 68 Ca 0.00 -0.20 -0.10 0.00 -0.00 0.00 0.00 62.75 62.46 2yro n ILE 68 Cb 0.00 -0.09 0.05 0.00 -0.00 0.00 0.00 39.64 39.60 2yro n ILE 68 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2yro n LYS 69 N -1.95 -3.43 -4.38 6.28 5.02 -0.35 -5.04 118.16 114.31 2yro n LYS 69 Ca 0.04 0.49 -0.31 0.00 -2.02 0.00 0.00 58.31 56.52 2yro n LYS 69 Cb 0.41 -4.38 -0.16 0.00 -0.02 0.00 0.00 35.03 30.87 2yro n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2yro s ALA 70 N -3.21 1.99 -0.15 7.82 0.00 -1.11 -4.87 121.76 122.24 2yro s ALA 70 Ca 0.04 -0.95 -0.23 0.00 0.00 0.00 0.00 51.96 50.82 2yro s ALA 70 Cb -0.01 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 2yro s ALA 70 CO 0.42 -0.16 0.71 0.12 0.00 0.00 0.00 175.76 176.85 2yro s PHE 71 N 1.08 3.45 -0.14 0.00 2.19 -1.26 -2.72 117.98 120.58 2yro s PHE 71 Ca -0.03 1.12 -0.01 0.00 0.33 0.00 0.00 56.93 58.34 2yro s PHE 71 Cb -0.14 -2.87 -0.02 0.00 -1.31 0.00 0.00 43.02 38.68 2yro s PHE 71 CO -0.05 -0.12 -0.09 0.08 1.83 0.00 0.00 175.22 176.87 2yro s VAL 72 N 1.65 3.39 -0.16 3.12 1.01 -1.13 -4.39 120.40 123.89 2yro s VAL 72 Ca 0.34 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 2yro s VAL 72 Cb -0.17 -2.45 0.05 0.00 0.00 0.00 0.00 36.38 33.82 2yro s VAL 72 CO 0.13 0.51 0.03 0.00 0.00 0.00 0.00 175.10 175.77 2yro s ARG 73 N 0.34 0.61 0.29 2.72 3.03 -1.26 -1.44 118.95 123.24 2yro s ARG 73 Ca -0.08 -0.26 -0.06 0.00 2.03 0.00 0.00 55.73 57.36 2yro s ARG 73 Cb -0.15 -1.78 -0.01 0.00 -1.03 0.00 0.00 34.95 31.98 2yro s ARG 73 CO 0.05 -0.55 0.43 1.21 -1.13 0.00 0.00 175.30 175.31 2yro s ASN 74 N 1.91 0.43 0.07 -2.89 2.47 -0.73 -4.33 114.94 111.86 2yro s ASN 74 Ca 0.01 -1.27 0.04 0.00 0.42 0.00 0.00 52.86 52.06 2yro s ASN 74 Cb -0.16 0.59 -0.03 0.00 -1.45 0.00 0.00 41.25 40.21 2yro s ASN 74 CO -0.07 -1.18 -0.12 -0.55 -3.72 0.00 0.00 177.10 171.47 2yro s SER 75 N -3.14 1.42 -0.32 -4.21 0.15 -1.26 -0.14 113.70 106.19 2yro s SER 75 Ca 0.29 -0.65 0.03 0.00 0.70 0.00 0.00 55.95 56.32 2yro s SER 75 Cb 0.01 -0.01 0.09 0.00 -1.71 0.00 0.00 66.02 64.39 2yro s SER 75 CO 0.15 -0.15 0.01 0.12 1.20 0.00 0.00 173.24 174.56 2yro s PHE 76 N -1.60 3.59 -0.03 3.44 5.36 -1.08 -2.45 117.98 125.21 2yro s PHE 76 Ca -0.02 -2.73 0.06 0.00 -0.96 0.00 0.00 56.93 53.28 2yro s PHE 76 Cb -0.08 -2.61 -0.01 0.00 -0.34 0.00 0.00 43.02 39.98 2yro s PHE 76 CO 0.01 -0.92 -0.21 -0.51 -1.46 0.00 0.00 175.22 172.13 2yro s LEU 77 N 0.99 2.01 -1.41 6.12 1.43 -0.75 -2.60 118.68 124.48 2yro s LEU 77 Ca 0.04 -0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 52.64 2yro s LEU 77 Cb -0.20 -1.12 0.03 0.00 0.03 0.00 0.00 46.19 44.94 2yro s LEU 77 CO -0.07 0.22 1.11 0.00 0.23 0.00 0.00 176.35 177.85 2yro n GLN 78 N 2.82 -7.14 -3.80 1.70 6.02 -1.26 -1.74 117.38 113.99 2yro n GLN 78 Ca -0.17 0.76 -0.27 0.00 -0.01 0.00 0.00 57.00 57.31 2yro n GLN 78 Cb 0.53 -5.75 0.04 0.00 1.02 0.00 0.00 30.24 26.07 2yro n GLN 78 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2yro n GLU 79 N -4.87 -6.12 -3.81 -1.09 1.02 -1.26 -4.98 120.64 99.53 2yro n GLU 79 Ca 0.00 0.67 -0.13 0.00 -0.02 0.00 0.00 57.16 57.68 2yro n GLU 79 Cb 0.56 -5.57 -0.13 0.00 -0.02 0.00 0.00 31.44 26.27 2yro n GLU 79 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2yro s SER 80 N -3.46 -0.10 -0.15 1.62 0.15 -0.71 -5.15 113.70 105.90 2yro s SER 80 Ca 0.55 0.23 -0.13 0.00 0.70 0.00 0.00 55.95 57.30 2yro s SER 80 Cb -0.27 0.20 -0.05 0.00 -1.71 0.00 0.00 66.02 64.19 2yro s SER 80 CO 0.80 -0.07 0.28 0.26 1.20 0.00 0.00 173.24 175.71 2yro s TRP 81 N 0.35 3.49 0.00 3.44 0.52 -1.26 -1.80 118.94 123.67 2yro s TRP 81 Ca -0.02 0.60 0.00 0.00 0.02 0.00 0.00 56.10 56.69 2yro s TRP 81 Cb -0.04 -2.29 0.00 0.00 -1.15 0.00 0.00 33.47 29.99 2yro s TRP 81 CO -0.01 0.31 0.00 0.41 0.02 0.00 0.00 176.95 177.67 2yro n GLY 82 N 3.18 -1.56 3.13 0.98 0.00 -1.03 -4.98 105.19 104.91 2yro n GLY 82 Ca -0.13 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 2yro n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yro s GLU 83 N 0.00 2.55 -0.12 1.61 2.02 -1.26 -5.01 118.70 118.48 2yro s GLU 83 Ca 0.00 -1.15 -0.29 0.00 0.02 0.00 0.00 54.97 53.54 2yro s GLU 83 Cb 0.00 -2.91 -0.01 0.00 0.10 0.00 0.00 34.13 31.31 2yro s GLU 83 CO 0.00 -0.47 1.09 -1.21 0.02 0.00 0.00 175.26 174.68 2yro s GLU 84 N 1.21 4.35 0.46 1.61 2.02 -1.26 -4.82 118.70 122.28 2yro s GLU 84 Ca -0.04 1.48 0.07 0.00 0.02 0.00 0.00 54.97 56.51 2yro s GLU 84 Cb -0.18 -3.59 -0.01 0.00 0.10 0.00 0.00 34.13 30.46 2yro s GLU 84 CO -0.06 -0.45 0.36 -1.83 0.02 0.00 0.00 175.26 173.31 2yro s GLU 85 N 2.44 2.38 -0.28 1.61 -1.05 -1.26 -5.02 118.70 117.52 2yro s GLU 85 Ca 0.50 -1.74 -0.02 0.00 -0.15 0.00 0.00 54.97 53.55 2yro s GLU 85 Cb -0.20 -2.22 0.17 0.00 -0.44 0.00 0.00 34.13 31.44 2yro s GLU 85 CO 0.16 -0.33 0.52 1.03 0.95 0.00 0.00 175.26 177.60 2yro s ARG 86 N -4.15 0.49 -0.30 -4.83 0.52 -1.26 -4.30 118.95 105.12 2yro s ARG 86 Ca 0.43 0.87 -0.13 0.00 -0.52 0.00 0.00 55.73 56.37 2yro s ARG 86 Cb -0.02 0.21 0.18 0.00 0.52 0.00 0.00 34.95 35.85 2yro s ARG 86 CO 0.25 -0.60 1.09 1.21 0.02 0.00 0.00 175.30 177.27 2yro s ASN 87 N 2.75 -0.36 -0.00 0.23 2.47 -1.26 -5.04 114.94 113.72 2yro s ASN 87 Ca 0.17 0.16 0.01 0.00 0.42 0.00 0.00 52.86 53.61 2yro s ASN 87 Cb -0.15 1.28 0.00 0.00 -1.45 0.00 0.00 41.25 40.93 2yro s ASN 87 CO -0.19 -0.07 -0.02 0.27 -3.72 0.00 0.00 177.10 173.38 2yro s ILE 88 N 2.96 0.15 0.43 -5.21 -4.36 -1.26 -5.01 121.20 108.90 2yro s ILE 88 Ca 0.07 -0.07 0.25 0.00 -0.26 0.00 0.00 60.65 60.64 2yro s ILE 88 Cb -0.07 -0.14 0.28 0.00 1.25 0.00 0.00 42.46 43.77 2yro s ILE 88 CO -0.14 0.05 2.06 0.00 0.24 0.00 0.00 174.94 177.15 2yro h THR 89 N 5.18 0.66 -1.51 8.37 1.03 -2.01 -3.45 112.91 121.19 2yro h THR 89 Ca -0.27 -0.53 0.14 0.00 -0.01 0.00 0.00 66.41 65.74 2yro h THR 89 Cb 1.20 1.33 -0.23 0.00 -1.07 0.00 0.00 68.15 69.38 2yro h THR 89 CO 0.50 0.12 0.66 -0.44 -0.01 0.00 0.00 175.52 176.36 2yro s SER 90 N -6.30 -0.27 -0.41 0.00 0.01 -1.26 -5.13 113.70 100.34 2yro s SER 90 Ca -0.03 0.24 -0.09 0.00 1.31 0.00 0.00 55.95 57.38 2yro s SER 90 Cb 0.14 0.23 0.08 0.00 0.21 0.00 0.00 66.02 66.68 2yro s SER 90 CO 0.60 -0.29 0.24 0.12 0.41 0.00 0.00 173.24 174.33 2yro s PHE 91 N -1.44 3.35 0.02 2.43 5.36 -1.26 -4.96 117.98 121.47 2yro s PHE 91 Ca 0.03 -1.58 -0.22 0.00 -0.96 0.00 0.00 56.93 54.20 2yro s PHE 91 Cb -0.01 -2.92 -0.16 0.00 -0.34 0.00 0.00 43.02 39.60 2yro s PHE 91 CO -0.02 -0.85 1.32 -1.00 -1.46 0.00 0.00 175.22 173.21 2yro h PRO 92 N 8.37 0.26 -6.01 10.12 0.13 -1.99 -3.45 132.00 139.43 2yro h PRO 92 Ca -0.22 -0.14 -0.75 0.00 -0.87 0.00 0.00 66.00 64.02 2yro h PRO 92 Cb 1.08 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.29 2yro h PRO 92 CO 0.74 0.67 -0.13 1.19 -0.23 0.00 0.00 178.00 180.25 2yro n PHE 93 N -4.64 0.28 -3.84 1.56 3.72 -1.26 -4.97 117.46 108.32 2yro n PHE 93 Ca -0.07 1.02 -0.12 0.00 -0.05 0.00 0.00 57.45 58.23 2yro n PHE 93 Cb 0.33 -2.05 -0.11 0.00 -0.94 0.00 0.00 39.48 36.71 2yro n PHE 93 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2yro s SER 94 N -0.33 -0.08 -0.14 4.37 0.15 -1.26 -5.00 113.70 111.41 2yro s SER 94 Ca 0.82 0.08 -0.29 0.00 0.70 0.00 0.00 55.95 57.25 2yro s SER 94 Cb -1.14 0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 63.40 2yro s SER 94 CO 0.56 -0.19 1.55 -2.16 1.20 0.00 0.00 173.24 174.20 2yro s PRO 95 N -0.57 4.05 0.00 5.44 0.04 -1.26 -3.13 135.00 139.57 2yro s PRO 95 Ca -0.07 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2yro s PRO 95 Cb -0.04 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.54 2yro s PRO 95 CO 0.01 -0.98 0.00 0.41 0.04 0.00 0.00 177.00 176.48 2yro n GLY 96 N 4.21 0.96 3.29 0.56 0.00 -0.21 -4.54 105.19 109.47 2yro n GLY 96 Ca 0.17 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 2yro n GLY 96 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2yro s MET 97 N -3.74 1.41 -0.43 1.61 0.23 -1.18 -4.92 119.30 112.28 2yro s MET 97 Ca 0.00 -1.77 -0.14 0.00 -1.03 0.00 0.00 55.69 52.75 2yro s MET 97 Cb 0.00 -0.08 0.05 0.00 -1.53 0.00 0.00 34.83 33.27 2yro s MET 97 CO 0.00 -0.36 0.32 -0.47 -2.03 0.00 0.00 175.02 172.48 2yro s TYR 98 N -3.81 3.25 -0.05 3.16 6.14 -1.26 -1.61 117.35 123.17 2yro s TYR 98 Ca 0.38 -0.91 0.03 0.00 0.64 0.00 0.00 57.07 57.21 2yro s TYR 98 Cb 0.07 -2.85 -0.03 0.00 0.42 0.00 0.00 41.96 39.57 2yro s TYR 98 CO 0.14 -0.72 -0.11 -0.59 0.64 0.00 0.00 175.55 174.92 2yro s PHE 99 N 1.61 2.80 -0.16 4.97 -0.12 -1.22 -4.95 117.98 120.92 2yro s PHE 99 Ca 0.04 -0.08 0.00 0.00 -0.05 0.00 0.00 56.93 56.84 2yro s PHE 99 Cb -0.22 -1.65 0.03 0.00 -0.63 0.00 0.00 43.02 40.56 2yro s PHE 99 CO 0.07 0.26 -0.09 -2.00 -0.05 0.00 0.00 175.22 173.41 2yro s GLU 100 N -0.87 1.81 -0.29 1.99 2.12 -1.26 -3.23 118.70 118.97 2yro s GLU 100 Ca 0.13 -0.55 -0.13 0.00 0.36 0.00 0.00 54.97 54.78 2yro s GLU 100 Cb -0.11 -2.04 -0.04 0.00 0.26 0.00 0.00 34.13 32.20 2yro s GLU 100 CO 0.02 -0.35 0.28 1.41 -0.54 0.00 0.00 175.26 176.08 2yro s MET 101 N 1.56 3.91 -0.28 4.30 -2.45 -1.08 -1.07 119.30 124.19 2yro s MET 101 Ca 0.02 -0.20 -0.08 0.00 -1.25 0.00 0.00 55.69 54.18 2yro s MET 101 Cb -0.14 -3.68 -0.02 0.00 1.25 0.00 0.00 34.83 32.24 2yro s MET 101 CO -0.09 -0.27 0.11 0.42 1.05 0.00 0.00 175.02 176.24 2yro s ILE 102 N 1.91 4.48 -0.43 10.11 1.09 -0.56 -0.67 121.20 137.13 2yro s ILE 102 Ca 0.11 -0.28 -0.09 0.00 -1.10 0.00 0.00 60.65 59.28 2yro s ILE 102 Cb -0.16 -3.19 0.08 0.00 -1.06 0.00 0.00 42.46 38.14 2yro s ILE 102 CO 0.11 0.21 0.28 -0.63 -0.10 0.00 0.00 174.94 174.80 2yro s ILE 103 N 1.62 4.27 -0.06 2.92 1.01 0.34 -2.87 121.20 128.42 2yro s ILE 103 Ca 0.05 -1.43 0.01 0.00 0.00 0.00 0.00 60.65 59.28 2yro s ILE 103 Cb -0.16 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 2yro s ILE 103 CO 0.05 -0.54 -0.05 -0.47 0.00 0.00 0.00 174.94 173.93 2yro s TYR 104 N 1.43 2.98 -0.24 3.97 5.04 -1.21 -0.62 117.35 128.70 2yro s TYR 104 Ca 0.03 0.05 -0.04 0.00 -2.44 0.00 0.00 57.07 54.68 2yro s TYR 104 Cb -0.23 -1.71 0.00 0.00 0.35 0.00 0.00 41.96 40.37 2yro s TYR 104 CO 0.02 0.37 -0.03 0.00 -1.34 0.00 0.00 175.55 174.57 2yro n ASP 106 N 4.78 4.15 -1.99 0.00 -0.08 -1.26 -0.14 116.55 122.01 2yro n ASP 106 Ca -0.17 -2.81 -0.20 0.00 -1.51 0.00 0.00 54.79 50.10 2yro n ASP 106 Cb 0.50 -0.53 -0.05 0.00 2.34 0.00 0.00 41.12 43.38 2yro n ASP 106 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2yro n VAL 107 N -0.03 -0.47 0.00 5.18 0.31 -1.26 -4.71 118.33 117.35 2yro n VAL 107 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 2yro n VAL 107 Cb 0.88 -2.36 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 2yro n VAL 107 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2yro n ARG 108 N -2.65 0.63 -3.60 5.55 5.12 -1.26 -5.08 116.66 115.35 2yro n ARG 108 Ca -0.22 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.67 2yro n ARG 108 Cb 0.66 -0.63 -0.02 0.00 -1.16 0.00 0.00 32.46 31.32 2yro n ARG 108 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2yro s GLU 109 N -1.25 0.59 -0.51 5.56 -1.05 -1.26 -3.81 118.70 116.97 2yro s GLU 109 Ca 0.00 -0.27 -0.21 0.00 -0.15 0.00 0.00 54.97 54.34 2yro s GLU 109 Cb 0.00 0.24 0.05 0.00 -0.44 0.00 0.00 34.13 33.98 2yro s GLU 109 CO 0.00 -0.27 0.74 -0.06 0.95 0.00 0.00 175.26 176.63 2yro s PHE 110 N -2.73 2.96 0.11 4.83 0.08 0.16 -4.07 117.98 119.33 2yro s PHE 110 Ca 0.10 -0.27 -0.13 0.00 0.12 0.00 0.00 56.93 56.75 2yro s PHE 110 Cb 0.00 -3.70 -0.06 0.00 -0.57 0.00 0.00 43.02 38.69 2yro s PHE 110 CO -0.04 -1.12 0.49 0.15 -0.10 0.00 0.00 175.22 174.60 2yro s LYS 111 N 3.13 3.92 -0.21 0.44 1.02 -1.19 -2.15 119.74 124.69 2yro s LYS 111 Ca 0.22 0.40 -0.04 0.00 0.02 0.00 0.00 55.97 56.57 2yro s LYS 111 Cb -0.16 -2.99 0.10 0.00 -0.52 0.00 0.00 37.83 34.27 2yro s LYS 111 CO 0.16 0.53 0.28 0.54 -0.92 0.00 0.00 175.35 175.93 2yro s VAL 112 N -1.40 -0.43 0.08 3.17 0.11 -1.25 -3.30 120.40 117.38 2yro s VAL 112 Ca 0.35 -0.07 0.09 0.00 -2.93 0.00 0.00 61.98 59.42 2yro s VAL 112 Cb -0.15 -0.70 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 2yro s VAL 112 CO 0.18 -0.15 -0.22 0.00 -3.33 0.00 0.00 175.10 171.58 2yro s ALA 113 N 2.41 2.47 -0.15 1.54 0.00 -1.14 -4.00 121.76 122.89 2yro s ALA 113 Ca 0.08 -1.31 -0.02 0.00 0.00 0.00 0.00 51.96 50.71 2yro s ALA 113 Cb -0.15 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 2yro s ALA 113 CO -0.13 0.56 -0.08 0.08 0.00 0.00 0.00 175.76 176.19 2yro s VAL 114 N -0.97 3.40 -1.35 0.00 1.01 -1.23 -1.50 120.40 119.76 2yro s VAL 114 Ca 0.14 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 2yro s VAL 114 Cb -0.10 -2.47 0.04 0.00 0.00 0.00 0.00 36.38 33.85 2yro s VAL 114 CO 0.06 0.50 0.46 0.59 0.00 0.00 0.00 175.10 176.71 2yro n ASN 115 N 3.75 -4.53 -2.09 3.32 3.02 -0.23 -0.69 115.26 117.82 2yro n ASN 115 Ca -0.18 -0.29 -0.15 0.00 -0.03 0.00 0.00 54.58 53.94 2yro n ASN 115 Cb 0.52 -3.72 0.02 0.00 -0.61 0.00 0.00 39.78 35.99 2yro n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yro n GLY 116 N -1.24 -0.13 2.58 7.41 0.00 -1.26 -4.99 105.19 107.56 2yro n GLY 116 Ca -0.06 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 2yro n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yro s VAL 117 N -2.96 0.81 0.06 1.61 1.01 0.14 -5.11 120.40 115.96 2yro s VAL 117 Ca 0.20 -2.23 -0.31 0.00 0.00 0.00 0.00 61.98 59.63 2yro s VAL 117 Cb -0.09 -1.57 -0.16 0.00 0.00 0.00 0.00 36.38 34.56 2yro s VAL 117 CO 0.24 -0.96 0.77 1.57 0.00 0.00 0.00 175.10 176.72 2yro n HIS 118 N 3.67 0.24 0.01 5.22 -0.00 -1.26 -3.51 115.22 119.60 2yro n HIS 118 Ca 0.12 0.89 -0.00 0.00 0.46 0.00 0.00 57.72 59.19 2yro n HIS 118 Cb 0.37 -1.77 -0.00 0.00 -0.12 0.00 0.00 29.99 28.46 2yro n HIS 118 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2yro n SER 119 N 1.44 0.41 -4.01 0.26 7.64 -1.26 -4.92 113.62 113.17 2yro n SER 119 Ca 0.17 0.05 -0.08 0.00 1.01 0.00 0.00 58.87 60.02 2yro n SER 119 Cb 0.12 -0.15 -0.09 0.00 -1.01 0.00 0.00 64.21 63.08 2yro n SER 119 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2yro s LEU 120 N -5.71 1.93 0.28 -3.43 -0.00 -1.26 -4.91 118.68 105.59 2yro s LEU 120 Ca -0.01 -0.91 0.10 0.00 -0.00 0.00 0.00 54.13 53.32 2yro s LEU 120 Cb 0.00 0.56 -0.05 0.00 -0.00 0.00 0.00 46.19 46.69 2yro s LEU 120 CO 0.01 -0.68 -0.15 -1.61 -0.00 0.00 0.00 176.35 173.92 2yro s GLU 121 N -3.92 1.64 -0.25 1.48 2.02 -1.26 -3.95 118.70 114.46 2yro s GLU 121 Ca 0.09 -1.79 -0.02 0.00 0.02 0.00 0.00 54.97 53.28 2yro s GLU 121 Cb 0.07 -1.58 0.13 0.00 0.10 0.00 0.00 34.13 32.84 2yro s GLU 121 CO -0.08 0.23 0.35 -0.47 0.02 0.00 0.00 175.26 175.31 2yro s TYR 122 N -2.66 -0.72 0.73 1.61 5.04 -0.91 -5.04 117.35 115.39 2yro s TYR 122 Ca 0.29 0.56 -0.17 0.00 -2.44 0.00 0.00 57.07 55.32 2yro s TYR 122 Cb -0.01 -0.11 -0.11 0.00 0.35 0.00 0.00 41.96 42.07 2yro s TYR 122 CO 0.14 -0.76 -0.14 1.63 -1.34 0.00 0.00 175.55 175.08 2yro n LYS 123 N 5.35 0.07 -2.09 4.97 5.02 -1.26 0.40 118.16 130.62 2yro n LYS 123 Ca -0.03 0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 2yro n LYS 123 Cb 0.50 -1.26 -0.05 0.00 -0.02 0.00 0.00 35.03 34.20 2yro n LYS 123 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2yro s HIS 124 N -1.99 1.95 0.25 2.13 3.76 -1.25 -4.27 115.29 115.88 2yro s HIS 124 Ca 0.54 0.40 -0.05 0.00 -0.15 0.00 0.00 55.06 55.81 2yro s HIS 124 Cb -0.35 -4.06 0.33 0.00 1.11 0.00 0.00 32.58 29.61 2yro s HIS 124 CO 0.69 -1.41 1.89 0.00 -0.85 0.00 0.00 174.74 175.06 2yro h ARG 125 N 10.13 1.15 -5.97 1.40 3.08 -1.84 -3.40 114.38 118.94 2yro h ARG 125 Ca 0.19 -0.07 -0.58 0.00 0.07 0.00 0.00 59.98 59.59 2yro h ARG 125 Cb 0.96 -0.26 -0.07 0.00 0.08 0.00 0.00 29.97 30.68 2yro h ARG 125 CO 1.23 0.76 0.35 0.12 -1.07 0.00 0.00 179.97 181.36 2yro s PHE 126 N -6.08 3.45 -0.01 3.04 5.36 -1.26 -4.97 117.98 117.50 2yro s PHE 126 Ca -0.13 1.26 -0.23 0.00 -0.96 0.00 0.00 56.93 56.88 2yro s PHE 126 Cb 0.19 -2.99 -0.14 0.00 -0.34 0.00 0.00 43.02 39.73 2yro s PHE 126 CO 0.81 -0.19 1.01 0.87 -1.46 0.00 0.00 175.22 176.26 2yro h LYS 127 N 7.25 -0.51 -5.97 10.12 1.79 -2.00 -3.40 116.57 123.85 2yro h LYS 127 Ca -0.31 0.03 -0.48 0.00 -2.18 0.00 0.00 60.65 57.71 2yro h LYS 127 Cb 1.14 0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.87 2yro h LYS 127 CO 0.82 -0.20 1.27 -2.00 -1.08 0.00 0.00 179.45 178.26 2yro s GLU 128 N -4.16 2.66 0.11 3.15 2.56 -1.26 -4.79 118.70 116.96 2yro s GLU 128 Ca -0.13 0.45 0.10 0.00 0.00 0.00 0.00 54.97 55.39 2yro s GLU 128 Cb 0.01 -4.45 -0.16 0.00 2.00 0.00 0.00 34.13 31.53 2yro s GLU 128 CO 0.44 -2.76 1.14 -0.07 -0.56 0.00 0.00 175.26 173.44 2yro h LEU 129 N 16.35 0.00 -1.80 2.70 3.38 -1.91 -3.27 115.31 130.76 2yro h LEU 129 Ca -0.22 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 2yro h LEU 129 Cb 1.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2yro h LEU 129 CO 1.22 0.89 0.04 -1.20 0.09 0.00 0.00 178.44 179.48 2yro n SER 130 N -3.23 2.34 -0.09 -0.43 7.64 -1.25 -3.54 113.62 115.07 2yro n SER 130 Ca -0.04 -2.21 -0.12 0.00 1.01 0.00 0.00 58.87 57.52 2yro n SER 130 Cb 0.92 -0.54 -0.09 0.00 -1.01 0.00 0.00 64.21 63.49 2yro n SER 130 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yro n SER 131 N 0.15 2.47 -4.60 6.43 7.64 -1.23 -4.80 113.62 119.68 2yro n SER 131 Ca 0.07 -0.08 -0.50 0.00 1.01 0.00 0.00 58.87 59.37 2yro n SER 131 Cb 0.53 -0.13 -0.06 0.00 -1.01 0.00 0.00 64.21 63.54 2yro n SER 131 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2yro n ILE 132 N -2.95 0.39 0.00 0.44 5.41 -1.23 -4.45 119.36 116.97 2yro n ILE 132 Ca -0.30 -0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.27 2yro n ILE 132 Cb 0.85 -1.76 0.00 0.00 -0.71 0.00 0.00 39.64 38.02 2yro n ILE 132 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2yro n ASP 133 N 7.95 1.74 -4.77 4.38 5.68 -1.25 -0.40 116.55 129.89 2yro n ASP 133 Ca 0.30 0.00 -0.38 0.00 -0.50 0.00 0.00 54.79 54.21 2yro n ASP 133 Cb 0.26 0.09 -0.06 0.00 -1.14 0.00 0.00 41.12 40.27 2yro n ASP 133 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2yro s THR 134 N -1.39 5.13 -0.30 2.12 2.01 -1.19 -0.49 115.64 121.53 2yro s THR 134 Ca 0.00 0.88 0.01 0.00 0.31 0.00 0.00 61.69 62.89 2yro s THR 134 Cb 0.00 -3.76 0.07 0.00 0.01 0.00 0.00 72.50 68.82 2yro s THR 134 CO 0.00 0.43 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.12 2yro s LEU 135 N -0.05 4.00 -0.16 4.42 2.96 0.52 -3.29 118.68 127.09 2yro s LEU 135 Ca 0.24 -1.58 -0.08 0.00 -0.22 0.00 0.00 54.13 52.49 2yro s LEU 135 Cb -0.16 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2yro s LEU 135 CO 0.11 -0.28 0.11 -1.61 -1.32 0.00 0.00 176.35 173.36 2yro s GLU 136 N 1.10 3.82 -0.05 1.98 2.02 -0.48 -2.93 118.70 124.16 2yro s GLU 136 Ca -0.02 -0.23 -0.02 0.00 0.02 0.00 0.00 54.97 54.71 2yro s GLU 136 Cb -0.20 -3.25 0.04 0.00 0.10 0.00 0.00 34.13 30.81 2yro s GLU 136 CO -0.05 0.47 0.10 0.42 0.02 0.00 0.00 175.26 176.23 2yro s ILE 137 N -0.17 -0.11 0.21 -1.63 1.01 0.28 -0.86 121.20 119.93 2yro s ILE 137 Ca 0.09 0.29 0.00 0.00 0.00 0.00 0.00 60.65 61.03 2yro s ILE 137 Cb -0.12 -0.19 -0.05 0.00 0.01 0.00 0.00 42.46 42.12 2yro s ILE 137 CO 0.01 0.12 0.09 0.20 0.00 0.00 0.00 174.94 175.36 2yro s ASN 138 N 1.63 0.70 0.00 3.58 -0.87 -0.87 -0.11 114.94 119.01 2yro s ASN 138 Ca -0.03 -1.34 0.00 0.00 -1.57 0.00 0.00 52.86 49.92 2yro s ASN 138 Cb -0.12 0.25 0.00 0.00 -0.02 0.00 0.00 41.25 41.36 2yro s ASN 138 CO -0.04 -0.75 0.00 0.61 -2.57 0.00 0.00 177.10 174.35 2yro n GLY 139 N -0.32 0.98 2.29 0.66 0.00 -1.26 -0.93 105.19 106.61 2yro n GLY 139 Ca -0.01 -1.90 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 2yro n GLY 139 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yro n ASP 140 N 2.38 6.65 -4.59 1.61 9.92 -1.12 -4.96 116.55 126.44 2yro n ASP 140 Ca 0.00 -3.78 -0.26 0.00 -0.53 0.00 0.00 54.79 50.22 2yro n ASP 140 Cb 0.00 -0.75 -0.10 0.00 -0.64 0.00 0.00 41.12 39.62 2yro n ASP 140 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 2yro s ILE 141 N -4.82 2.20 -0.27 0.53 -5.25 -1.26 -4.08 121.20 108.25 2yro s ILE 141 Ca 0.58 -2.07 -0.09 0.00 -0.99 0.00 0.00 60.65 58.08 2yro s ILE 141 Cb 0.47 -2.81 -0.03 0.00 2.95 0.00 0.00 42.46 43.04 2yro s ILE 141 CO -0.04 -0.12 0.12 -2.28 -1.79 0.00 0.00 174.94 170.83 2yro s HIS 142 N -2.64 3.14 -0.27 1.37 5.65 -0.04 -4.83 115.29 117.68 2yro s HIS 142 Ca 0.34 -0.37 -0.21 0.00 0.25 0.00 0.00 55.06 55.08 2yro s HIS 142 Cb 0.05 -2.30 -0.01 0.00 -1.18 0.00 0.00 32.58 29.14 2yro s HIS 142 CO 0.18 -0.35 0.65 -1.17 -0.65 0.00 0.00 174.74 173.39 2yro s LEU 143 N 1.64 4.08 -0.12 8.88 2.96 -1.26 -0.90 118.68 133.96 2yro s LEU 143 Ca 0.06 0.65 -0.06 0.00 -0.22 0.00 0.00 54.13 54.56 2yro s LEU 143 Cb -0.16 -2.87 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 2yro s LEU 143 CO 0.06 -0.42 -0.04 -0.07 -1.32 0.00 0.00 176.35 174.56 2yro h LEU 144 N 9.03 0.00 -7.00 -0.68 3.38 -1.77 -3.37 115.31 114.90 2yro h LEU 144 Ca -0.26 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 57.72 2yro h LEU 144 Cb 1.12 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.64 2yro h LEU 144 CO 0.79 0.66 0.52 -0.70 0.09 0.00 0.00 178.44 179.80 2yro s GLU 145 N -1.90 0.62 -0.18 1.13 -6.30 -0.97 -4.43 118.70 106.66 2yro s GLU 145 Ca -0.08 0.19 -0.03 0.00 -2.50 0.00 0.00 54.97 52.55 2yro s GLU 145 Cb 0.01 0.29 -0.01 0.00 0.00 0.00 0.00 34.13 34.42 2yro s GLU 145 CO 0.14 -0.18 -0.07 0.08 0.02 0.00 0.00 175.26 175.25 2yro s VAL 146 N -1.00 3.36 0.17 3.70 1.01 -1.26 -2.39 120.40 123.99 2yro s VAL 146 Ca -0.02 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.51 2yro s VAL 146 Cb -0.01 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2yro s VAL 146 CO 0.02 0.47 0.02 -0.13 0.00 0.00 0.00 175.10 175.47 2yro s ARG 147 N 0.92 2.47 -0.27 2.72 0.52 -1.14 -5.02 118.95 119.16 2yro s ARG 147 Ca -0.01 -1.08 -0.01 0.00 -0.52 0.00 0.00 55.73 54.12 2yro s ARG 147 Cb -0.15 -2.40 0.14 0.00 0.52 0.00 0.00 34.95 33.07 2yro s ARG 147 CO 0.00 0.46 0.38 -1.54 0.02 0.00 0.00 175.30 174.62 2yro s SER 148 N -2.97 0.47 0.09 0.23 1.04 -1.26 -1.58 113.70 109.72 2yro s SER 148 Ca 0.28 -0.12 0.04 0.00 0.48 0.00 0.00 55.95 56.63 2yro s SER 148 Cb -0.09 1.03 -0.03 0.00 0.10 0.00 0.00 66.02 67.03 2yro s SER 148 CO 0.19 -0.33 -0.12 -1.66 0.98 0.00 0.00 173.24 172.30 2yro s TRP 149 N 2.52 1.13 0.11 5.02 -2.14 -0.95 -4.95 118.94 119.69 2yro s TRP 149 Ca 0.11 -0.56 -0.33 0.00 2.66 0.00 0.00 56.10 57.98 2yro s TRP 149 Cb -0.14 -0.62 -0.12 0.00 -3.10 0.00 0.00 33.47 29.49 2yro s TRP 149 CO -0.23 0.04 1.56 1.03 -2.66 0.00 0.00 176.95 176.69 2yro h SER 150 N 3.88 -1.55 -0.97 -2.66 0.87 -1.86 -2.45 113.55 108.81 2yro h SER 150 Ca -0.39 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2yro h SER 150 Cb 1.19 0.60 0.00 0.00 -0.44 0.00 0.00 62.40 63.75 2yro h SER 150 CO 0.47 -0.51 0.00 0.61 -0.53 0.00 0.00 176.83 176.88 2yro n GLY 151 N -1.46 -0.93 3.51 5.77 0.00 -1.26 -3.96 105.19 106.85 2yro n GLY 151 Ca -0.07 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 2yro n GLY 151 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yro n PRO 152 N 0.35 -3.18 -3.91 1.61 -0.04 -1.26 -5.04 135.00 123.53 2yro n PRO 152 Ca 0.00 -1.75 -0.30 0.00 -0.04 0.00 0.00 63.50 61.41 2yro n PRO 152 Cb 0.00 -1.64 -0.15 0.00 -0.04 0.00 0.00 33.50 31.67 2yro n PRO 152 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yro s SER 153 N -4.45 4.44 -0.16 3.54 0.15 -1.26 -5.09 113.70 110.88 2yro s SER 153 Ca 0.71 -2.15 0.01 0.00 0.70 0.00 0.00 55.95 55.22 2yro s SER 153 Cb -0.07 -1.38 0.00 0.00 -1.71 0.00 0.00 66.02 62.87 2yro s SER 153 CO 0.55 -0.36 -0.18 -0.55 1.20 0.00 0.00 173.24 173.90 2yro s SER 154 N 0.92 3.44 0.00 5.45 0.15 -1.26 -5.38 113.70 117.03 2yro s SER 154 Ca 0.12 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.23 2yro s SER 154 Cb -0.20 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 2yro s SER 154 CO -0.11 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.01