#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 0.70 0.16 1.61 0.01 -1.26 -5.11 113.70 109.82 2yro s SER 2 Ca 0.00 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 55.84 2yro s SER 2 Cb 0.00 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.79 2yro s SER 2 CO 0.00 -1.11 0.00 -0.24 0.41 0.00 0.00 173.24 172.30 2yro n SER 3 N -0.97 0.54 0.00 2.44 2.88 -1.26 -5.18 113.62 112.07 2yro n SER 3 Ca 0.02 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2yro n SER 3 Cb 0.63 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 2yro n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yro n GLY 4 N 2.70 3.09 3.33 0.46 0.00 -1.26 -5.10 105.19 108.40 2yro n GLY 4 Ca 0.00 -2.00 -0.27 0.00 0.00 0.00 0.00 46.02 43.75 2yro n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yro s SER 5 N 0.00 2.92 -0.32 1.61 1.04 -1.26 -4.99 113.70 112.70 2yro s SER 5 Ca 0.00 -0.66 -0.12 0.00 0.48 0.00 0.00 55.95 55.65 2yro s SER 5 Cb 0.00 -0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 2yro s SER 5 CO 0.00 0.16 0.21 -0.44 0.98 0.00 0.00 173.24 174.15 2yro s SER 6 N -1.70 5.90 -0.29 7.02 0.01 -1.26 -4.99 113.70 118.38 2yro s SER 6 Ca 0.10 -0.40 -0.01 0.00 1.31 0.00 0.00 55.95 56.95 2yro s SER 6 Cb -0.10 -2.10 0.13 0.00 0.21 0.00 0.00 66.02 64.17 2yro s SER 6 CO 0.04 -0.20 0.27 -0.83 0.41 0.00 0.00 173.24 172.93 2yro s GLY 7 N 1.70 -0.02 0.12 3.44 0.00 -1.26 -5.04 107.32 106.25 2yro s GLY 7 Ca 0.06 -0.49 -0.31 0.00 0.00 0.00 0.00 44.72 43.97 2yro s GLY 7 CO 0.09 2.55 1.36 2.56 0.00 0.00 0.00 173.10 179.66 2yro s PRO 8 N 2.26 4.34 0.72 2.90 0.04 -1.26 -5.03 135.00 138.98 2yro s PRO 8 Ca 0.10 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 63.08 2yro s PRO 8 Cb -0.14 -3.25 0.05 0.00 0.04 0.00 0.00 34.50 31.19 2yro s PRO 8 CO -0.32 -0.39 1.07 0.15 0.04 0.00 0.00 177.00 177.55 2yro s LYS 9 N 0.94 2.36 -0.20 4.56 3.01 -1.26 -5.04 119.74 124.11 2yro s LYS 9 Ca 0.63 0.05 -0.16 0.00 -1.01 0.00 0.00 55.97 55.48 2yro s LYS 9 Cb -0.36 -2.08 -0.11 0.00 -1.01 0.00 0.00 37.83 34.27 2yro s LYS 9 CO 0.31 -1.24 -0.11 0.45 0.51 0.00 0.00 175.35 175.27 2yro n SER 10 N -3.02 1.88 0.00 2.83 2.88 -1.26 -5.09 113.62 111.83 2yro n SER 10 Ca 0.07 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 2yro n SER 10 Cb 0.60 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 2yro n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yro n GLY 11 N 1.45 -1.55 3.23 0.46 0.00 -1.26 -5.14 105.19 102.38 2yro n GLY 11 Ca -0.26 0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 2yro n GLY 11 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2yro n THR 12 N 0.00 0.45 -2.18 2.61 -2.24 -1.26 -4.84 114.28 106.82 2yro n THR 12 Ca 0.00 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 2yro n THR 12 Cb 0.00 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 2yro n THR 12 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2yro s PRO 13 N -2.15 4.28 0.93 -0.78 0.04 -1.26 -5.02 135.00 131.03 2yro s PRO 13 Ca 0.53 2.02 -0.15 0.00 0.04 0.00 0.00 61.00 63.44 2yro s PRO 13 Cb -0.31 -3.55 0.17 0.00 0.04 0.00 0.00 34.50 30.86 2yro s PRO 13 CO 0.71 -0.58 1.28 -0.65 0.04 0.00 0.00 177.00 177.80 2yro s GLN 14 N 2.31 0.95 1.11 4.56 -1.52 -1.26 -5.06 119.66 120.75 2yro s GLN 14 Ca 0.65 -0.27 -0.15 0.00 -1.95 0.00 0.00 55.36 53.64 2yro s GLN 14 Cb -0.33 -1.87 0.25 0.00 -0.22 0.00 0.00 33.01 30.84 2yro s GLN 14 CO 0.28 -2.23 1.08 -0.51 -0.25 0.00 0.00 175.29 173.65 2yro s LEU 15 N -5.83 1.02 0.08 2.90 1.43 -1.25 -5.08 118.68 111.96 2yro s LEU 15 Ca 0.71 1.05 0.01 0.00 -1.03 0.00 0.00 54.13 54.86 2yro s LEU 15 Cb -0.06 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 2yro s LEU 15 CO 0.52 -3.74 -0.05 -0.94 0.23 0.00 0.00 176.35 172.37 2yro s SER 16 N -3.41 0.88 0.11 2.29 1.04 -1.26 -4.65 113.70 108.71 2yro s SER 16 Ca 0.68 -1.00 0.05 0.00 0.48 0.00 0.00 55.95 56.16 2yro s SER 16 Cb -0.17 0.13 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 2yro s SER 16 CO 0.58 -0.51 0.03 -0.76 0.98 0.00 0.00 173.24 173.56 2yro s LEU 17 N -2.98 3.54 0.08 2.42 1.43 -1.26 -2.76 118.68 119.15 2yro s LEU 17 Ca 0.10 -0.18 -0.31 0.00 -1.03 0.00 0.00 54.13 52.71 2yro s LEU 17 Cb 0.06 -2.23 -0.07 0.00 0.03 0.00 0.00 46.19 43.98 2yro s LEU 17 CO -0.07 0.15 1.38 -2.16 0.23 0.00 0.00 176.35 175.89 2yro s PRO 18 N -2.51 4.32 -0.66 1.29 0.04 -1.26 -5.03 135.00 131.19 2yro s PRO 18 Ca 0.27 2.03 -0.25 0.00 0.04 0.00 0.00 61.00 63.09 2yro s PRO 18 Cb -0.11 -3.34 0.04 0.00 0.04 0.00 0.00 34.50 31.13 2yro s PRO 18 CO 0.20 -0.46 1.12 0.12 0.04 0.00 0.00 177.00 178.01 2yro s PHE 19 N 1.45 2.53 -0.37 0.56 5.36 0.26 -4.88 117.98 122.89 2yro s PHE 19 Ca 0.64 -0.10 -0.00 0.00 -0.96 0.00 0.00 56.93 56.50 2yro s PHE 19 Cb -0.35 -4.42 0.10 0.00 -0.34 0.00 0.00 43.02 38.00 2yro s PHE 19 CO 0.29 -1.76 0.12 0.00 -1.46 0.00 0.00 175.22 172.41 2yro s ALA 20 N 4.85 3.01 -0.02 11.12 0.00 -1.26 -0.46 121.76 139.00 2yro s ALA 20 Ca 0.32 -2.40 0.01 0.00 0.00 0.00 0.00 51.96 49.89 2yro s ALA 20 Cb -0.11 -2.18 0.02 0.00 0.00 0.00 0.00 23.12 20.85 2yro s ALA 20 CO 0.16 -1.67 -0.02 0.00 0.00 0.00 0.00 175.76 174.24 2yro s ALA 21 N 1.08 0.34 0.20 0.00 0.00 -0.94 -5.01 121.76 117.43 2yro s ALA 21 Ca 0.07 0.04 -0.15 0.00 0.00 0.00 0.00 51.96 51.91 2yro s ALA 21 Cb -0.21 -0.24 -0.08 0.00 0.00 0.00 0.00 23.12 22.59 2yro s ALA 21 CO -0.05 -0.01 0.61 1.03 0.00 0.00 0.00 175.76 177.34 2yro s ARG 22 N 0.62 4.02 -0.12 0.00 0.52 -1.26 -2.00 118.95 120.72 2yro s ARG 22 Ca -0.06 0.57 -0.25 0.00 -0.52 0.00 0.00 55.73 55.46 2yro s ARG 22 Cb -0.10 -2.82 -0.02 0.00 0.52 0.00 0.00 34.95 32.54 2yro s ARG 22 CO -0.01 0.40 0.82 -0.51 0.02 0.00 0.00 175.30 176.02 2yro s LEU 23 N -2.21 4.23 0.29 2.53 1.43 -1.03 -4.92 118.68 119.00 2yro s LEU 23 Ca 0.42 1.24 0.15 0.00 -1.03 0.00 0.00 54.13 54.91 2yro s LEU 23 Cb -0.14 -3.24 1.03 0.00 0.03 0.00 0.00 46.19 43.86 2yro s LEU 23 CO 0.20 -0.32 1.27 0.59 0.23 0.00 0.00 176.35 178.32 2yro n ASN 24 N 4.73 0.23 -4.25 2.29 4.13 -1.26 -4.32 115.26 116.81 2yro n ASN 24 Ca 0.03 1.34 -0.20 0.00 1.68 0.00 0.00 54.58 57.44 2yro n ASN 24 Cb 0.50 -0.63 -0.12 0.00 -1.54 0.00 0.00 39.78 37.99 2yro n ASN 24 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2yro s THR 25 N -5.30 1.44 -0.07 3.41 -4.23 -1.26 -5.11 115.64 104.53 2yro s THR 25 Ca -0.08 -1.64 -0.30 0.00 -1.18 0.00 0.00 61.69 58.50 2yro s THR 25 Cb 0.27 -1.50 -0.05 0.00 1.34 0.00 0.00 72.50 72.57 2yro s THR 25 CO 0.63 -0.29 1.50 -2.16 -0.54 0.00 0.00 174.62 173.76 2yro s PRO 26 N -2.36 4.22 0.79 3.99 0.04 -1.26 -4.83 135.00 135.58 2yro s PRO 26 Ca 0.07 2.01 -0.13 0.00 0.04 0.00 0.00 61.00 62.99 2yro s PRO 26 Cb -0.07 -3.83 0.19 0.00 0.04 0.00 0.00 34.50 30.83 2yro s PRO 26 CO 0.04 -0.75 0.75 0.00 0.04 0.00 0.00 177.00 177.08 2yro n MET 27 N 6.58 -2.19 0.00 4.56 0.00 -0.51 -4.86 117.12 120.70 2yro n MET 27 Ca 0.15 -1.19 0.00 0.00 0.00 0.00 0.00 57.70 56.66 2yro n MET 27 Cb 0.43 -1.06 0.00 0.00 0.00 0.00 0.00 33.22 32.60 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 -2.09 -0.59 3.77 3.17 0.00 -1.22 -3.49 105.19 104.73 2yro n GLY 28 Ca 0.10 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.57 4.04 0.00 1.61 0.04 -1.26 -3.02 135.00 134.85 2yro s PRO 29 Ca 0.00 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2yro s PRO 29 Cb 0.00 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.85 2yro s PRO 29 CO 0.00 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.11 2yro n GLY 30 N 0.65 2.80 3.80 0.56 0.00 0.59 -4.97 105.19 108.62 2yro n GLY 30 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.04 3.27 -0.21 1.61 1.81 -1.17 -3.88 118.95 120.34 2yro s ARG 31 Ca 0.00 1.20 -0.02 0.00 -1.72 0.00 0.00 55.73 55.18 2yro s ARG 31 Cb 0.00 -2.03 0.07 0.00 -0.45 0.00 0.00 34.95 32.54 2yro s ARG 31 CO 0.00 -0.85 0.03 0.99 -0.68 0.00 0.00 175.30 174.80 2yro s THR 32 N -2.49 0.68 -0.31 0.02 2.01 -0.99 -3.08 115.64 111.48 2yro s THR 32 Ca 0.63 -0.74 -0.09 0.00 0.31 0.00 0.00 61.69 61.80 2yro s THR 32 Cb -0.16 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.15 2yro s THR 32 CO 0.38 -0.26 0.15 -0.69 -0.69 0.00 0.00 174.62 173.51 2yro s VAL 33 N 1.78 4.55 0.06 3.82 1.01 -0.63 -2.38 120.40 128.61 2yro s VAL 33 Ca -0.00 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.56 2yro s VAL 33 Cb -0.17 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2yro s VAL 33 CO -0.10 0.07 0.07 0.68 0.00 0.00 0.00 175.10 175.82 2yro s VAL 34 N 1.60 4.50 -0.31 2.92 -7.23 0.16 -0.54 120.40 121.50 2yro s VAL 34 Ca 0.04 -0.71 0.02 0.00 -1.81 0.00 0.00 61.98 59.52 2yro s VAL 34 Cb -0.17 -3.14 0.09 0.00 0.56 0.00 0.00 36.38 33.73 2yro s VAL 34 CO 0.06 0.18 0.05 -0.69 -0.31 0.00 0.00 175.10 174.39 2yro s VAL 35 N -1.33 1.62 -0.23 1.32 1.01 0.30 -2.69 120.40 120.41 2yro s VAL 35 Ca 0.27 -1.80 -0.17 0.00 0.00 0.00 0.00 61.98 60.28 2yro s VAL 35 Cb -0.12 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 2yro s VAL 35 CO 0.19 -0.54 0.45 -0.54 0.00 0.00 0.00 175.10 174.66 2yro s LYS 36 N 1.25 4.12 0.00 2.72 1.02 -1.06 -2.51 119.74 125.28 2yro s LYS 36 Ca 0.08 0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.32 2yro s LYS 36 Cb -0.18 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.53 2yro s LYS 36 CO -0.14 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.51 2yro n GLY 37 N 4.18 2.60 3.33 -3.33 0.00 -1.19 -2.20 105.19 108.57 2yro n GLY 37 Ca -0.06 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.18 0.67 0.14 1.61 2.02 -0.37 -3.14 118.70 119.45 2yro s GLU 38 Ca 0.00 0.23 -0.09 0.00 0.02 0.00 0.00 54.97 55.13 2yro s GLU 38 Cb 0.00 0.31 -0.06 0.00 0.10 0.00 0.00 34.13 34.48 2yro s GLU 38 CO 0.00 -0.16 0.45 0.08 0.02 0.00 0.00 175.26 175.66 2yro s VAL 39 N -0.64 5.04 0.16 2.63 1.01 -0.38 -0.63 120.40 127.60 2yro s VAL 39 Ca -0.07 0.41 -0.24 0.00 0.00 0.00 0.00 61.98 62.08 2yro s VAL 39 Cb -0.03 -3.65 -0.08 0.00 0.00 0.00 0.00 36.38 32.62 2yro s VAL 39 CO 0.04 0.13 0.75 0.20 0.00 0.00 0.00 175.10 176.22 2yro s ASN 40 N -2.06 7.31 0.42 3.32 0.01 -1.25 0.19 114.94 122.88 2yro s ASN 40 Ca 0.39 1.58 0.22 0.00 -0.71 0.00 0.00 52.86 54.34 2yro s ASN 40 Cb -0.13 -2.48 1.19 0.00 0.41 0.00 0.00 41.25 40.24 2yro s ASN 40 CO 0.20 0.19 1.77 0.00 -1.51 0.00 0.00 177.10 177.75 2yro h ALA 41 N 4.22 2.39 -0.65 0.60 0.00 -1.92 0.27 119.26 124.17 2yro h ALA 41 Ca -0.47 0.05 -0.43 0.00 0.00 0.00 0.00 54.91 54.05 2yro h ALA 41 Cb 1.21 0.05 -0.27 0.00 0.00 0.00 0.00 17.79 18.77 2yro h ALA 41 CO 0.66 -0.80 -0.16 0.09 0.00 0.00 0.00 179.25 179.04 2yro n ASN 42 N -4.57 4.56 -4.66 0.00 3.02 -1.26 -4.73 115.26 107.61 2yro n ASN 42 Ca 0.26 -3.78 -0.43 0.00 -0.03 0.00 0.00 54.58 50.60 2yro n ASN 42 Cb 0.96 -0.60 -0.02 0.00 -0.61 0.00 0.00 39.78 39.51 2yro n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yro s ALA 43 N -3.52 3.65 -0.00 5.41 0.00 0.96 -4.96 121.76 123.31 2yro s ALA 43 Ca 0.52 0.23 -0.24 0.00 0.00 0.00 0.00 51.96 52.47 2yro s ALA 43 Cb 0.43 -3.54 -0.13 0.00 0.00 0.00 0.00 23.12 19.88 2yro s ALA 43 CO 0.01 -1.00 1.00 -0.22 0.00 0.00 0.00 175.76 175.55 2yro h LYS 44 N 7.47 -0.77 -1.29 0.00 3.64 -1.89 -3.46 116.57 120.27 2yro h LYS 44 Ca -0.21 0.05 0.17 0.00 -1.27 0.00 0.00 60.65 59.39 2yro h LYS 44 Cb 1.08 0.18 -0.25 0.00 -0.41 0.00 0.00 32.23 32.82 2yro h LYS 44 CO 0.96 -0.49 0.77 -1.12 -2.27 0.00 0.00 179.45 177.30 2yro s SER 45 N -4.64 -0.19 0.40 4.20 0.01 -1.26 -3.45 113.70 108.77 2yro s SER 45 Ca -0.13 0.21 0.05 0.00 1.31 0.00 0.00 55.95 57.39 2yro s SER 45 Cb 0.01 0.16 -0.06 0.00 0.21 0.00 0.00 66.02 66.34 2yro s SER 45 CO 0.39 -0.17 0.03 0.72 0.41 0.00 0.00 173.24 174.62 2yro s PHE 46 N -1.05 2.18 -0.10 2.43 -0.71 -1.26 -2.84 117.98 116.64 2yro s PHE 46 Ca 0.04 -0.86 -0.22 0.00 -1.04 0.00 0.00 56.93 54.85 2yro s PHE 46 Cb -0.01 -1.55 0.05 0.00 -1.21 0.00 0.00 43.02 40.30 2yro s PHE 46 CO -0.04 0.22 0.54 0.54 -1.34 0.00 0.00 175.22 175.14 2yro s ASN 47 N -3.66 -0.51 -0.34 1.98 4.22 0.05 -2.80 114.94 113.88 2yro s ASN 47 Ca 0.29 0.70 0.02 0.00 -2.14 0.00 0.00 52.86 51.74 2yro s ASN 47 Cb 0.08 0.70 0.10 0.00 1.28 0.00 0.00 41.25 43.41 2yro s ASN 47 CO 0.14 -0.41 0.08 -0.69 -2.04 0.00 0.00 177.10 174.18 2yro s VAL 48 N -0.68 1.76 -0.25 3.54 1.01 -0.78 -1.86 120.40 123.15 2yro s VAL 48 Ca -0.08 -2.06 -0.22 0.00 0.00 0.00 0.00 61.98 59.63 2yro s VAL 48 Cb -0.03 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 2yro s VAL 48 CO 0.05 -0.65 0.71 -1.81 0.00 0.00 0.00 175.10 173.40 2yro s ASP 49 N 1.09 6.68 -0.33 3.32 1.01 0.11 -3.31 116.67 125.23 2yro s ASP 49 Ca 0.11 0.84 -0.03 0.00 0.71 0.00 0.00 52.55 54.18 2yro s ASP 49 Cb -0.19 -2.38 0.06 0.00 1.01 0.00 0.00 42.92 41.43 2yro s ASP 49 CO -0.14 -0.42 0.07 -0.22 0.21 0.00 0.00 175.17 174.67 2yro s LEU 50 N 2.60 4.32 0.41 1.23 2.96 -0.90 -1.63 118.68 127.68 2yro s LEU 50 Ca 0.30 -1.46 0.04 0.00 -0.22 0.00 0.00 54.13 52.80 2yro s LEU 50 Cb -0.15 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 2yro s LEU 50 CO 0.08 -0.34 0.03 -1.48 -1.32 0.00 0.00 176.35 173.32 2yro s LEU 51 N 1.24 2.46 -0.23 -0.68 0.05 -1.25 -0.74 118.68 119.53 2yro s LEU 51 Ca -0.01 -1.47 -0.06 0.00 0.05 0.00 0.00 54.13 52.64 2yro s LEU 51 Cb -0.20 -0.64 -0.02 0.00 -2.05 0.00 0.00 46.19 43.28 2yro s LEU 51 CO -0.01 -0.64 0.02 0.00 -0.55 0.00 0.00 176.35 175.17 2yro s ALA 52 N -2.96 3.01 0.62 1.48 0.00 -0.20 -2.99 121.76 120.73 2yro s ALA 52 Ca 0.28 -1.13 0.28 0.00 0.00 0.00 0.00 51.96 51.39 2yro s ALA 52 Cb 0.07 -1.89 1.47 0.00 0.00 0.00 0.00 23.12 22.76 2yro s ALA 52 CO 0.14 -0.42 1.86 0.78 0.00 0.00 0.00 175.76 178.11 2yro h GLY 53 N 8.10 0.00 0.71 0.00 0.00 -1.80 0.98 103.07 111.06 2yro h GLY 53 Ca -0.39 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 2yro h GLY 53 CO 0.59 0.00 -0.45 1.70 0.00 0.00 0.00 176.54 178.38 2yro h LYS 54 N 0.00 -1.05 -0.00 4.80 1.63 -1.94 -3.32 116.57 116.69 2yro h LYS 54 Ca 0.13 0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 2yro h LYS 54 Cb 1.05 0.24 -0.05 0.00 -0.60 0.00 0.00 32.23 32.87 2yro h LYS 54 CO -0.00 -0.70 -0.57 0.43 -3.45 0.00 0.00 179.45 175.16 2yro n SER 55 N -5.28 1.64 -3.51 4.20 7.64 -0.85 -4.97 113.62 112.48 2yro n SER 55 Ca -0.13 -3.68 -0.23 0.00 1.01 0.00 0.00 58.87 55.83 2yro n SER 55 Cb 0.46 -0.50 -0.06 0.00 -1.01 0.00 0.00 64.21 63.10 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 -0.92 -0.89 -3.96 1.43 4.01 0.33 -4.85 118.16 113.30 2yro n LYS 56 Ca 0.18 0.07 -0.35 0.00 -0.51 0.00 0.00 58.31 57.70 2yro n LYS 56 Cb 0.75 -2.61 -0.10 0.00 -0.51 0.00 0.00 35.03 32.56 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 -3.10 5.59 -0.69 4.39 1.11 -1.19 -4.79 116.67 118.00 2yro s ASP 57 Ca 0.28 0.05 -0.27 0.00 0.18 0.00 0.00 52.55 52.78 2yro s ASP 57 Cb -0.16 -1.97 0.02 0.00 1.07 0.00 0.00 42.92 41.88 2yro s ASP 57 CO 0.63 0.14 1.39 -0.63 1.18 0.00 0.00 175.17 177.89 2yro s ILE 58 N 0.56 3.68 0.15 0.77 1.01 -1.11 -1.03 121.20 125.23 2yro s ILE 58 Ca 0.03 0.43 -0.13 0.00 0.00 0.00 0.00 60.65 60.98 2yro s ILE 58 Cb -0.13 -4.69 0.03 0.00 0.01 0.00 0.00 42.46 37.68 2yro s ILE 58 CO 0.01 -1.59 1.65 0.00 0.00 0.00 0.00 174.94 175.01 2yro h ALA 59 N 10.98 0.67 -3.51 9.38 0.00 -1.20 -2.92 119.26 132.66 2yro h ALA 59 Ca -0.27 -0.22 -0.25 0.00 0.00 0.00 0.00 54.91 54.16 2yro h ALA 59 Cb 1.07 -0.19 -0.31 0.00 0.00 0.00 0.00 17.79 18.36 2yro h ALA 59 CO 1.25 0.38 -0.68 -1.17 0.00 0.00 0.00 179.25 179.04 2yro s LEU 60 N -9.56 1.32 -0.39 0.00 2.96 -1.12 -4.41 118.68 107.47 2yro s LEU 60 Ca -0.13 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 2yro s LEU 60 Cb 0.12 0.11 0.11 0.00 0.50 0.00 0.00 46.19 47.03 2yro s LEU 60 CO 0.80 -0.09 0.15 -2.28 -1.32 0.00 0.00 176.35 173.61 2yro s HIS 61 N 0.66 2.74 -0.45 5.38 5.65 0.23 -2.11 115.29 127.38 2yro s HIS 61 Ca -0.05 -2.61 -0.10 0.00 0.25 0.00 0.00 55.06 52.55 2yro s HIS 61 Cb -0.07 -2.38 0.10 0.00 -1.18 0.00 0.00 32.58 29.05 2yro s HIS 61 CO -0.02 -0.85 0.32 -0.51 -0.65 0.00 0.00 174.74 173.03 2yro s LEU 62 N 0.68 5.51 -0.41 8.88 1.43 -1.21 -1.81 118.68 131.75 2yro s LEU 62 Ca 0.14 -1.73 0.00 0.00 -1.03 0.00 0.00 54.13 51.51 2yro s LEU 62 Cb -0.21 -2.02 0.11 0.00 0.03 0.00 0.00 46.19 44.10 2yro s LEU 62 CO -0.08 -0.64 0.16 0.21 0.23 0.00 0.00 176.35 176.23 2yro s ASN 63 N 2.50 4.99 1.05 2.29 3.04 -0.66 -1.86 114.94 126.28 2yro s ASN 63 Ca 0.04 -2.22 -0.14 0.00 0.04 0.00 0.00 52.86 50.59 2yro s ASN 63 Cb -0.25 -1.74 0.21 0.00 -1.54 0.00 0.00 41.25 37.94 2yro s ASN 63 CO 0.01 -0.44 1.10 -2.16 -3.04 0.00 0.00 177.10 172.56 2yro s PRO 64 N 0.84 0.03 -0.08 0.43 0.04 -1.12 -2.78 135.00 132.35 2yro s PRO 64 Ca 0.11 0.39 -0.11 0.00 0.04 0.00 0.00 61.00 61.42 2yro s PRO 64 Cb -0.21 -1.70 0.03 0.00 0.04 0.00 0.00 34.50 32.65 2yro s PRO 64 CO -0.05 -2.97 0.29 1.03 0.04 0.00 0.00 177.00 175.34 2yro s ARG 65 N -5.04 0.43 -0.14 4.56 0.52 -1.15 -4.02 118.95 114.10 2yro s ARG 65 Ca 0.66 0.23 -0.02 0.00 -0.52 0.00 0.00 55.73 56.09 2yro s ARG 65 Cb -0.17 0.20 -0.08 0.00 0.52 0.00 0.00 34.95 35.42 2yro s ARG 65 CO 0.57 -0.08 -0.15 1.28 0.02 0.00 0.00 175.30 176.95 2yro n LEU 66 N 2.46 2.28 -0.37 2.53 4.77 -1.22 -2.68 117.00 124.77 2yro n LEU 66 Ca -0.15 0.02 0.29 0.00 -0.03 0.00 0.00 56.01 56.14 2yro n LEU 66 Cb 0.57 -0.47 0.55 0.00 -2.33 0.00 0.00 43.42 41.74 2yro n LEU 66 CO 0.18 0.58 1.18 -1.13 -1.33 0.00 0.00 177.39 176.87 2yro h ASN 67 N -0.20 0.39 0.00 -1.43 -0.00 -1.89 -1.73 115.58 110.71 2yro h ASN 67 Ca -0.34 0.15 0.00 0.00 -0.00 0.00 0.00 56.30 56.11 2yro h ASN 67 Cb 1.43 0.11 0.00 0.00 -0.00 0.00 0.00 38.32 39.87 2yro h ASN 67 CO -0.12 -0.13 -0.17 2.30 -0.00 0.00 0.00 177.43 179.32 2yro n ILE 68 N -4.84 0.00 -3.24 2.57 -5.35 -1.26 -5.03 119.36 102.20 2yro n ILE 68 Ca 0.33 -0.40 -0.15 0.00 -0.27 0.00 0.00 62.75 62.26 2yro n ILE 68 Cb 1.15 0.91 0.08 0.00 -1.74 0.00 0.00 39.64 40.04 2yro n ILE 68 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2yro n LYS 69 N -1.04 -5.76 -4.08 6.28 5.02 -0.65 -4.99 118.16 112.93 2yro n LYS 69 Ca 0.00 0.73 -0.31 0.00 -2.02 0.00 0.00 58.31 56.71 2yro n LYS 69 Cb 0.00 -5.40 -0.16 0.00 -0.02 0.00 0.00 35.03 29.45 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 -3.31 1.99 -0.14 7.82 0.00 -1.14 -4.36 121.76 122.61 2yro s ALA 70 Ca 0.03 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 50.70 2yro s ALA 70 Cb -0.01 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 2yro s ALA 70 CO 0.63 -0.35 1.04 0.12 0.00 0.00 0.00 175.76 177.20 2yro s PHE 71 N 1.40 3.41 -0.35 0.00 2.19 -1.26 -2.96 117.98 120.41 2yro s PHE 71 Ca 0.04 1.51 -0.11 0.00 0.33 0.00 0.00 56.93 58.70 2yro s PHE 71 Cb -0.13 -3.24 0.00 0.00 -1.31 0.00 0.00 43.02 38.34 2yro s PHE 71 CO -0.11 -0.44 0.20 0.08 1.83 0.00 0.00 175.22 176.78 2yro s VAL 72 N 2.47 4.81 -0.25 3.12 1.01 -1.12 -3.50 120.40 126.94 2yro s VAL 72 Ca 0.48 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 2yro s VAL 72 Cb -0.18 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.69 2yro s VAL 72 CO 0.14 -0.08 -0.08 -0.13 0.00 0.00 0.00 175.10 174.95 2yro s ARG 73 N 1.63 2.71 0.39 2.72 3.00 -1.25 -1.65 118.95 126.49 2yro s ARG 73 Ca 0.04 -1.05 -0.12 0.00 0.00 0.00 0.00 55.73 54.60 2yro s ARG 73 Cb -0.18 -2.93 0.05 0.00 0.00 0.00 0.00 34.95 31.89 2yro s ARG 73 CO 0.08 -0.42 0.73 1.21 0.00 0.00 0.00 175.30 176.89 2yro s ASN 74 N 1.27 0.25 0.05 0.23 2.47 -0.75 -3.63 114.94 114.84 2yro s ASN 74 Ca -0.01 -1.27 -0.09 0.00 0.42 0.00 0.00 52.86 51.91 2yro s ASN 74 Cb -0.17 0.82 0.00 0.00 -1.45 0.00 0.00 41.25 40.46 2yro s ASN 74 CO -0.05 -1.64 0.19 -0.55 -3.72 0.00 0.00 177.10 171.33 2yro s SER 75 N -3.12 0.06 -0.27 -4.21 0.15 -1.26 0.76 113.70 105.80 2yro s SER 75 Ca 0.19 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.41 2yro s SER 75 Cb -0.04 0.30 0.07 0.00 -1.71 0.00 0.00 66.02 64.64 2yro s SER 75 CO 0.14 -0.61 -0.04 0.12 1.20 0.00 0.00 173.24 174.05 2yro s PHE 76 N -2.94 3.03 -0.03 3.44 5.36 -1.10 -2.60 117.98 123.13 2yro s PHE 76 Ca -0.02 -2.28 0.04 0.00 -0.96 0.00 0.00 56.93 53.71 2yro s PHE 76 Cb 0.01 -2.05 -0.01 0.00 -0.34 0.00 0.00 43.02 40.64 2yro s PHE 76 CO -0.06 -0.86 -0.15 -0.51 -1.46 0.00 0.00 175.22 172.18 2yro s LEU 77 N 1.17 1.93 -1.42 6.12 1.43 -0.84 -2.76 118.68 124.31 2yro s LEU 77 Ca -0.02 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 2yro s LEU 77 Cb -0.19 -0.82 0.08 0.00 0.03 0.00 0.00 46.19 45.29 2yro s LEU 77 CO -0.07 0.15 0.66 0.00 0.23 0.00 0.00 176.35 177.31 2yro n GLN 78 N 2.99 -4.08 -3.52 1.70 6.02 -1.26 -0.64 117.38 118.59 2yro n GLN 78 Ca -0.17 0.55 -0.22 0.00 -0.01 0.00 0.00 57.00 57.15 2yro n GLN 78 Cb 0.54 -5.32 0.08 0.00 1.02 0.00 0.00 30.24 26.55 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 -4.06 -7.45 -3.71 -1.09 1.02 -1.26 -5.00 120.64 99.08 2yro n GLU 79 Ca -0.00 0.81 -0.15 0.00 -0.02 0.00 0.00 57.16 57.80 2yro n GLU 79 Cb 0.54 -5.78 -0.15 0.00 -0.02 0.00 0.00 31.44 26.03 2yro n GLU 79 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2yro s SER 80 N -3.54 0.26 -0.05 1.62 0.01 0.19 -5.14 113.70 107.04 2yro s SER 80 Ca 0.44 0.33 -0.20 0.00 1.31 0.00 0.00 55.95 57.83 2yro s SER 80 Cb -0.19 0.25 -0.05 0.00 0.21 0.00 0.00 66.02 66.23 2yro s SER 80 CO 0.71 -0.19 0.55 0.26 0.41 0.00 0.00 173.24 174.98 2yro s TRP 81 N 1.68 3.62 0.00 2.43 0.52 -1.26 -1.99 118.94 123.93 2yro s TRP 81 Ca -0.04 1.08 0.00 0.00 0.02 0.00 0.00 56.10 57.16 2yro s TRP 81 Cb -0.12 -2.59 0.00 0.00 -1.15 0.00 0.00 33.47 29.62 2yro s TRP 81 CO -0.06 0.28 0.00 0.41 0.02 0.00 0.00 176.95 177.60 2yro n GLY 82 N 2.76 -0.09 3.31 0.98 0.00 -1.07 -5.01 105.19 106.07 2yro n GLY 82 Ca -0.07 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 2yro n GLY 82 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yro s GLU 83 N 0.00 3.32 0.62 1.61 2.56 -1.26 -4.98 118.70 120.56 2yro s GLU 83 Ca 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 54.97 54.21 2yro s GLU 83 Cb 0.00 -2.71 0.02 0.00 2.00 0.00 0.00 34.13 33.44 2yro s GLU 83 CO 0.00 0.05 0.94 -1.21 -0.56 0.00 0.00 175.26 174.47 2yro s GLU 84 N 0.78 2.79 0.04 4.30 8.01 -1.26 -4.48 118.70 128.89 2yro s GLU 84 Ca -0.05 -0.01 0.03 0.00 0.01 0.00 0.00 54.97 54.95 2yro s GLU 84 Cb -0.15 -2.23 -0.02 0.00 -4.31 0.00 0.00 34.13 27.41 2yro s GLU 84 CO 0.01 -0.82 -0.09 -2.00 0.01 0.00 0.00 175.26 172.38 2yro s GLU 85 N -5.06 0.57 0.15 1.61 2.56 -1.24 -4.90 118.70 112.39 2yro s GLU 85 Ca 0.55 -0.74 -0.09 0.00 0.00 0.00 0.00 54.97 54.69 2yro s GLU 85 Cb -0.11 -0.38 0.03 0.00 2.00 0.00 0.00 34.13 35.68 2yro s GLU 85 CO 0.46 0.07 0.45 0.54 -0.56 0.00 0.00 175.26 176.22 2yro n ARG 86 N 1.55 0.47 -2.92 4.30 1.74 -1.23 -3.47 116.66 117.11 2yro n ARG 86 Ca -0.22 -0.96 -0.12 0.00 -0.77 0.00 0.00 57.85 55.78 2yro n ARG 86 Cb 0.55 1.24 0.06 0.00 -1.02 0.00 0.00 32.46 33.29 2yro n ARG 86 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2yro n ASN 87 N -1.13 -3.71 -4.87 0.55 4.13 -1.26 -4.92 115.26 104.05 2yro n ASN 87 Ca -0.03 -0.49 -0.34 0.00 1.68 0.00 0.00 54.58 55.40 2yro n ASN 87 Cb 0.30 -3.92 -0.05 0.00 -1.54 0.00 0.00 39.78 34.56 2yro n ASN 87 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2yro s ILE 88 N -3.27 5.01 -0.05 2.41 -4.36 -1.26 -5.01 121.20 114.66 2yro s ILE 88 Ca 0.17 0.50 0.03 0.00 -0.26 0.00 0.00 60.65 61.09 2yro s ILE 88 Cb -0.02 -3.66 -0.25 0.00 1.25 0.00 0.00 42.46 39.78 2yro s ILE 88 CO 0.54 0.17 0.62 0.74 0.24 0.00 0.00 174.94 177.25 2yro h THR 89 N 2.55 0.86 -3.48 8.37 2.02 -1.95 -3.44 112.91 117.84 2yro h THR 89 Ca -0.48 -2.62 -0.72 0.00 0.77 0.00 0.00 66.41 63.36 2yro h THR 89 Cb 1.18 2.53 -0.22 0.00 -1.74 0.00 0.00 68.15 69.90 2yro h THR 89 CO 0.68 0.71 -0.43 -0.55 0.37 0.00 0.00 175.52 176.29 2yro s SER 90 N -6.61 6.00 -0.38 4.18 0.15 -1.26 -5.03 113.70 110.75 2yro s SER 90 Ca -0.11 -1.03 0.03 0.00 0.70 0.00 0.00 55.95 55.53 2yro s SER 90 Cb 0.07 -2.12 0.11 0.00 -1.71 0.00 0.00 66.02 62.37 2yro s SER 90 CO 0.81 -0.48 0.13 0.12 1.20 0.00 0.00 173.24 175.03 2yro s PHE 91 N 1.63 2.85 -0.02 3.44 2.19 -1.26 -4.99 117.98 121.82 2yro s PHE 91 Ca 0.04 -2.64 -0.25 0.00 0.33 0.00 0.00 56.93 54.42 2yro s PHE 91 Cb -0.20 -2.44 -0.19 0.00 -1.31 0.00 0.00 43.02 38.88 2yro s PHE 91 CO 0.08 -0.86 1.19 -1.00 1.83 0.00 0.00 175.22 176.46 2yro h PRO 92 N 7.36 -0.11 -4.95 10.12 0.13 -1.96 -3.45 132.00 139.14 2yro h PRO 92 Ca -0.07 0.01 -0.66 0.00 -0.87 0.00 0.00 66.00 64.42 2yro h PRO 92 Cb 0.98 0.03 0.04 0.00 0.13 0.00 0.00 31.00 32.17 2yro h PRO 92 CO 0.54 0.33 0.08 1.19 -0.23 0.00 0.00 178.00 179.91 2yro n PHE 93 N -4.92 0.59 -3.85 1.56 3.72 -1.26 -4.95 117.46 108.35 2yro n PHE 93 Ca -0.09 0.88 -0.12 0.00 -0.05 0.00 0.00 57.45 58.08 2yro n PHE 93 Cb 0.25 -1.73 -0.11 0.00 -0.94 0.00 0.00 39.48 36.96 2yro n PHE 93 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2yro s SER 94 N 0.16 -0.06 -0.05 4.37 0.01 -1.26 -5.04 113.70 111.83 2yro s SER 94 Ca 0.76 0.01 -0.30 0.00 1.31 0.00 0.00 55.95 57.73 2yro s SER 94 Cb -1.06 0.27 -0.05 0.00 0.21 0.00 0.00 66.02 65.39 2yro s SER 94 CO 0.48 -0.26 1.49 -2.16 0.41 0.00 0.00 173.24 173.20 2yro s PRO 95 N -0.83 4.23 0.00 12.44 0.04 -1.26 -3.39 135.00 146.23 2yro s PRO 95 Ca -0.09 2.01 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2yro s PRO 95 Cb -0.05 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.71 2yro s PRO 95 CO 0.01 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.74 2yro n GLY 96 N 3.85 0.66 3.32 0.56 0.00 0.13 -4.47 105.19 109.23 2yro n GLY 96 Ca 0.15 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.94 1.27 -0.36 1.61 0.23 -1.18 -4.81 119.30 112.12 2yro s MET 97 Ca 0.00 -1.47 -0.09 0.00 -1.03 0.00 0.00 55.69 53.10 2yro s MET 97 Cb 0.00 0.33 0.04 0.00 -1.53 0.00 0.00 34.83 33.67 2yro s MET 97 CO 0.00 -0.45 0.16 -0.47 -2.03 0.00 0.00 175.02 172.23 2yro s TYR 98 N -4.10 3.25 0.11 3.16 6.14 -1.26 -1.25 117.35 123.41 2yro s TYR 98 Ca 0.31 -1.21 0.06 0.00 0.64 0.00 0.00 57.07 56.87 2yro s TYR 98 Cb 0.05 -2.38 -0.04 0.00 0.42 0.00 0.00 41.96 40.01 2yro s TYR 98 CO 0.09 -0.70 -0.00 -0.59 0.64 0.00 0.00 175.55 174.99 2yro s PHE 99 N 1.48 2.94 -0.15 4.97 -0.12 -1.19 -4.96 117.98 120.95 2yro s PHE 99 Ca 0.00 -0.06 -0.01 0.00 -0.05 0.00 0.00 56.93 56.81 2yro s PHE 99 Cb -0.19 -1.49 0.04 0.00 -0.63 0.00 0.00 43.02 40.74 2yro s PHE 99 CO 0.05 0.48 -0.03 -2.00 -0.05 0.00 0.00 175.22 173.67 2yro s GLU 100 N -2.47 1.15 -0.26 1.99 2.12 -1.26 -3.17 118.70 116.79 2yro s GLU 100 Ca 0.26 -0.35 -0.13 0.00 0.36 0.00 0.00 54.97 55.11 2yro s GLU 100 Cb -0.11 -1.78 -0.04 0.00 0.26 0.00 0.00 34.13 32.46 2yro s GLU 100 CO 0.18 -0.43 0.29 1.41 -0.54 0.00 0.00 175.26 176.17 2yro s MET 101 N 1.75 4.02 -0.32 4.30 -2.45 -1.04 -2.48 119.30 123.07 2yro s MET 101 Ca 0.02 -0.10 -0.06 0.00 -1.25 0.00 0.00 55.69 54.30 2yro s MET 101 Cb -0.15 -3.63 0.03 0.00 1.25 0.00 0.00 34.83 32.34 2yro s MET 101 CO -0.07 -0.17 0.09 0.42 1.05 0.00 0.00 175.02 176.33 2yro s ILE 102 N 1.75 3.74 -0.51 10.11 1.01 -0.73 -0.54 121.20 136.03 2yro s ILE 102 Ca 0.12 -1.03 -0.15 0.00 0.00 0.00 0.00 60.65 59.59 2yro s ILE 102 Cb -0.15 -3.06 0.11 0.00 0.01 0.00 0.00 42.46 39.36 2yro s ILE 102 CO 0.09 -0.09 0.45 -0.63 0.00 0.00 0.00 174.94 174.76 2yro s ILE 103 N 1.42 5.14 -0.07 2.92 1.01 0.30 -2.83 121.20 129.09 2yro s ILE 103 Ca -0.01 -1.36 -0.01 0.00 0.00 0.00 0.00 60.65 59.27 2yro s ILE 103 Cb -0.19 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.03 2yro s ILE 103 CO 0.02 -0.75 0.00 -0.47 0.00 0.00 0.00 174.94 173.74 2yro s TYR 104 N 1.60 3.14 -0.30 3.97 5.04 -1.24 -1.60 117.35 127.96 2yro s TYR 104 Ca 0.03 0.16 -0.04 0.00 -2.44 0.00 0.00 57.07 54.78 2yro s TYR 104 Cb -0.28 -1.76 0.03 0.00 0.35 0.00 0.00 41.96 40.31 2yro s TYR 104 CO 0.04 0.46 0.03 0.00 -1.34 0.00 0.00 175.55 174.75 2yro n ASP 106 N 4.75 5.35 -1.97 0.00 -0.08 -1.26 -0.30 116.55 123.04 2yro n ASP 106 Ca -0.14 -2.82 -0.18 0.00 -1.51 0.00 0.00 54.79 50.14 2yro n ASP 106 Cb 0.46 -0.65 -0.04 0.00 2.34 0.00 0.00 41.12 43.23 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 0.65 -0.44 0.00 5.18 0.31 -1.26 -4.69 118.33 118.08 2yro n VAL 107 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 2yro n VAL 107 Cb 1.10 -2.18 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 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 -2.58 0.61 -3.62 5.55 5.12 -1.26 -5.09 116.66 115.39 2yro n ARG 108 Ca -0.20 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.69 2yro n ARG 108 Cb 0.63 -0.63 -0.01 0.00 -1.16 0.00 0.00 32.46 31.30 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 0.65 -0.52 5.56 -1.05 -1.26 -3.74 118.70 117.09 2yro s GLU 109 Ca 0.00 -0.31 -0.22 0.00 -0.15 0.00 0.00 54.97 54.29 2yro s GLU 109 Cb 0.00 0.25 0.05 0.00 -0.44 0.00 0.00 34.13 33.99 2yro s GLU 109 CO 0.00 -0.29 0.77 -0.06 0.95 0.00 0.00 175.26 176.62 2yro s PHE 110 N -2.77 2.94 0.25 4.83 0.08 0.16 -4.06 117.98 119.41 2yro s PHE 110 Ca 0.11 -0.24 -0.08 0.00 0.12 0.00 0.00 56.93 56.83 2yro s PHE 110 Cb 0.01 -3.75 -0.07 0.00 -0.57 0.00 0.00 43.02 38.64 2yro s PHE 110 CO -0.04 -1.15 0.55 0.15 -0.10 0.00 0.00 175.22 174.63 2yro s LYS 111 N 3.22 3.75 -0.22 0.44 1.02 -1.20 -1.98 119.74 124.76 2yro s LYS 111 Ca 0.23 0.19 -0.03 0.00 0.02 0.00 0.00 55.97 56.38 2yro s LYS 111 Cb -0.16 -2.65 0.12 0.00 -0.52 0.00 0.00 37.83 34.62 2yro s LYS 111 CO 0.16 0.28 0.32 0.54 -0.92 0.00 0.00 175.35 175.74 2yro s VAL 112 N -1.90 -0.51 -0.14 3.17 0.11 -1.25 -3.60 120.40 116.27 2yro s VAL 112 Ca 0.46 -0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.43 2yro s VAL 112 Cb -0.11 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 2yro s VAL 112 CO 0.24 -0.13 -0.07 0.00 -3.33 0.00 0.00 175.10 171.80 2yro s ALA 113 N 2.47 2.86 -0.15 1.54 0.00 -1.13 -3.75 121.76 123.60 2yro s ALA 113 Ca 0.10 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 2yro s ALA 113 Cb -0.15 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 2yro s ALA 113 CO -0.14 0.24 -0.12 0.08 0.00 0.00 0.00 175.76 175.82 2yro s VAL 114 N 0.30 3.04 -0.72 0.00 1.01 0.15 -1.77 120.40 122.41 2yro s VAL 114 Ca -0.06 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2yro s VAL 114 Cb -0.15 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.94 2yro s VAL 114 CO 0.04 0.51 0.00 0.59 0.00 0.00 0.00 175.10 176.24 2yro n ASN 115 N 3.82 -3.34 -0.00 3.32 4.13 -1.04 -2.58 115.26 119.57 2yro n ASN 115 Ca -0.18 0.09 -0.00 0.00 1.68 0.00 0.00 54.58 56.17 2yro n ASN 115 Cb 0.52 -2.08 -0.00 0.00 -1.54 0.00 0.00 39.78 36.68 2yro n ASN 115 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2yro n GLY 116 N -1.54 0.47 3.12 7.41 0.00 -1.26 -5.02 105.19 108.38 2yro n GLY 116 Ca -0.08 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 2yro n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yro s VAL 117 N -1.94 1.17 0.06 1.61 0.11 -1.06 -5.10 120.40 115.25 2yro s VAL 117 Ca 0.00 -0.66 -0.30 0.00 -2.93 0.00 0.00 61.98 58.09 2yro s VAL 117 Cb 0.00 -0.98 -0.05 0.00 -1.53 0.00 0.00 36.38 33.82 2yro s VAL 117 CO 0.00 0.31 1.02 -2.28 -3.33 0.00 0.00 175.10 170.83 2yro s HIS 118 N -0.38 3.66 -0.05 1.54 2.46 -1.26 -0.67 115.29 120.58 2yro s HIS 118 Ca 0.06 1.65 -0.07 0.00 0.47 0.00 0.00 55.06 57.17 2yro s HIS 118 Cb -0.06 -3.17 -0.02 0.00 -0.13 0.00 0.00 32.58 29.20 2yro s HIS 118 CO -0.00 -0.23 -0.14 0.43 -2.47 0.00 0.00 174.74 172.33 2yro n SER 119 N 3.43 0.97 -3.99 9.88 7.64 -1.25 -4.95 113.62 125.35 2yro n SER 119 Ca 0.05 0.16 -0.08 0.00 1.01 0.00 0.00 58.87 60.01 2yro n SER 119 Cb 0.49 -0.50 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 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 -6.51 1.99 0.34 -3.43 -0.00 -1.26 -5.14 118.68 104.66 2yro s LEU 120 Ca -0.11 -0.86 0.10 0.00 -0.00 0.00 0.00 54.13 53.25 2yro s LEU 120 Cb 0.02 0.57 -0.06 0.00 -0.00 0.00 0.00 46.19 46.72 2yro s LEU 120 CO 0.17 -0.67 -0.07 -1.61 -0.00 0.00 0.00 176.35 174.17 2yro s GLU 121 N -3.90 1.88 -0.26 1.48 8.01 -1.26 -3.97 118.70 120.68 2yro s GLU 121 Ca 0.07 -1.87 -0.02 0.00 0.01 0.00 0.00 54.97 53.16 2yro s GLU 121 Cb 0.07 -1.77 0.14 0.00 -4.31 0.00 0.00 34.13 28.25 2yro s GLU 121 CO -0.10 0.15 0.36 -0.47 0.01 0.00 0.00 175.26 175.22 2yro s TYR 122 N -2.58 -0.77 0.68 1.61 5.04 -0.84 -5.03 117.35 115.46 2yro s TYR 122 Ca 0.33 0.55 -0.17 0.00 -2.44 0.00 0.00 57.07 55.33 2yro s TYR 122 Cb 0.01 -0.11 -0.15 0.00 0.35 0.00 0.00 41.96 42.07 2yro s TYR 122 CO 0.17 -0.79 -0.38 1.63 -1.34 0.00 0.00 175.55 174.84 2yro n LYS 123 N 5.35 0.00 -1.82 4.97 5.02 -1.26 0.39 118.16 130.81 2yro n LYS 123 Ca -0.03 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.06 2yro n LYS 123 Cb 0.49 -0.98 -0.06 0.00 -0.02 0.00 0.00 35.03 34.46 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 -1.96 1.50 0.10 2.13 3.76 -1.25 -4.20 115.29 115.37 2yro s HIS 124 Ca 0.49 1.32 -0.19 0.00 -0.15 0.00 0.00 55.06 56.52 2yro s HIS 124 Cb -0.37 -3.73 -0.07 0.00 1.11 0.00 0.00 32.58 29.52 2yro s HIS 124 CO 0.71 -1.54 1.67 0.00 -0.85 0.00 0.00 174.74 174.73 2yro h ARG 125 N 11.76 0.32 -6.06 1.40 3.08 -1.86 -3.41 114.38 119.61 2yro h ARG 125 Ca 0.06 -0.05 -0.57 0.00 0.07 0.00 0.00 59.98 59.49 2yro h ARG 125 Cb 1.00 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.93 2yro h ARG 125 CO 1.11 0.34 0.43 0.12 -1.07 0.00 0.00 179.97 180.90 2yro s PHE 126 N -5.70 3.46 0.01 3.04 5.36 -1.26 -4.97 117.98 117.92 2yro s PHE 126 Ca -0.13 1.37 -0.26 0.00 -0.96 0.00 0.00 56.93 56.95 2yro s PHE 126 Cb 0.08 -3.06 -0.15 0.00 -0.34 0.00 0.00 43.02 39.55 2yro s PHE 126 CO 0.71 -0.21 1.12 0.87 -1.46 0.00 0.00 175.22 176.25 2yro h LYS 127 N 7.21 -0.75 -6.19 10.12 1.79 -1.99 -3.40 116.57 123.35 2yro h LYS 127 Ca -0.31 0.05 -0.56 0.00 -2.18 0.00 0.00 60.65 57.66 2yro h LYS 127 Cb 1.14 0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 31.93 2yro h LYS 127 CO 0.84 -0.45 1.30 -2.00 -1.08 0.00 0.00 179.45 178.06 2yro s GLU 128 N -4.62 3.15 -0.02 3.15 2.56 -1.26 -4.82 118.70 116.84 2yro s GLU 128 Ca -0.14 1.27 0.14 0.00 0.00 0.00 0.00 54.97 56.24 2yro s GLU 128 Cb 0.02 -4.25 -0.21 0.00 2.00 0.00 0.00 34.13 31.69 2yro s GLU 128 CO 0.45 -2.08 0.68 1.28 -0.56 0.00 0.00 175.26 175.03 2yro n LEU 129 N 10.97 0.83 -1.14 2.70 4.77 -1.26 -3.95 117.00 129.93 2yro n LEU 129 Ca 0.23 0.39 -0.02 0.00 -0.03 0.00 0.00 56.01 56.57 2yro n LEU 129 Cb 0.48 0.16 0.09 0.00 -2.33 0.00 0.00 43.42 41.82 2yro n LEU 129 CO 0.69 0.32 0.58 -0.24 -1.33 0.00 0.00 177.39 177.42 2yro n SER 130 N -2.99 2.82 -0.07 -1.43 2.88 -1.23 -3.41 113.62 110.20 2yro n SER 130 Ca -0.15 -2.38 -0.09 0.00 -1.33 0.00 0.00 58.87 54.92 2yro n SER 130 Cb 1.00 -0.58 -0.07 0.00 -0.75 0.00 0.00 64.21 63.81 2yro n SER 130 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yro n SER 131 N 0.10 2.78 -4.54 -3.46 2.88 -1.25 -4.78 113.62 105.35 2yro n SER 131 Ca 0.13 -0.06 -0.31 0.00 -1.33 0.00 0.00 58.87 57.30 2yro n SER 131 Cb 0.69 -0.04 -0.08 0.00 -0.75 0.00 0.00 64.21 64.03 2yro n SER 131 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2yro n ILE 132 N -2.82 -0.05 -1.81 2.46 5.41 -1.24 -4.24 119.36 117.08 2yro n ILE 132 Ca -0.24 -0.55 0.06 0.00 1.00 0.00 0.00 62.75 63.01 2yro n ILE 132 Cb 0.79 -1.93 0.14 0.00 -0.71 0.00 0.00 39.64 37.92 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 14.57 1.50 -3.82 4.38 5.68 -1.26 -1.43 116.55 136.19 2yro n ASP 133 Ca 0.48 -3.22 -0.12 0.00 -0.50 0.00 0.00 54.79 51.43 2yro n ASP 133 Cb 0.38 -0.44 -0.09 0.00 -1.14 0.00 0.00 41.12 39.83 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 -2.18 0.08 -0.21 2.12 2.01 -1.16 -2.47 115.64 113.82 2yro s THR 134 Ca 0.35 -0.64 -0.04 0.00 0.31 0.00 0.00 61.69 61.66 2yro s THR 134 Cb 0.35 -0.60 0.08 0.00 0.01 0.00 0.00 72.50 72.34 2yro s THR 134 CO -0.08 -0.35 0.12 -0.22 -0.69 0.00 0.00 174.62 173.40 2yro s LEU 135 N -1.50 0.35 -0.28 4.42 2.96 -0.85 -3.87 118.68 119.90 2yro s LEU 135 Ca -0.12 -0.79 -0.05 0.00 -0.22 0.00 0.00 54.13 52.95 2yro s LEU 135 Cb -0.05 -0.20 0.01 0.00 0.50 0.00 0.00 46.19 46.45 2yro s LEU 135 CO 0.02 -0.38 0.04 -1.61 -1.32 0.00 0.00 176.35 173.10 2yro s GLU 136 N 2.15 3.02 -0.06 1.98 2.02 -0.65 -2.22 118.70 124.94 2yro s GLU 136 Ca 0.05 -0.89 0.05 0.00 0.02 0.00 0.00 54.97 54.20 2yro s GLU 136 Cb -0.16 -3.25 -0.01 0.00 0.10 0.00 0.00 34.13 30.80 2yro s GLU 136 CO -0.18 -0.42 -0.22 0.42 0.02 0.00 0.00 175.26 174.87 2yro s ILE 137 N 1.45 2.34 -0.07 -1.63 1.01 0.40 -0.72 121.20 123.98 2yro s ILE 137 Ca 0.02 -0.97 -0.14 0.00 0.00 0.00 0.00 60.65 59.56 2yro s ILE 137 Cb -0.17 -1.87 0.03 0.00 0.01 0.00 0.00 42.46 40.46 2yro s ILE 137 CO 0.00 0.57 0.33 0.21 0.00 0.00 0.00 174.94 176.06 2yro s ASN 138 N -0.24 -0.28 0.00 3.58 3.84 -0.78 0.89 114.94 121.95 2yro s ASN 138 Ca -0.01 0.40 0.00 0.00 0.21 0.00 0.00 52.86 53.46 2yro s ASN 138 Cb -0.13 0.51 0.00 0.00 -0.55 0.00 0.00 41.25 41.08 2yro s ASN 138 CO 0.03 -0.29 0.00 0.61 -2.79 0.00 0.00 177.10 174.66 2yro n GLY 139 N 2.06 -0.50 2.37 1.21 0.00 -1.26 -0.77 105.19 108.29 2yro n GLY 139 Ca -0.17 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 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 0.00 6.01 -4.40 1.61 8.00 -1.13 -4.97 116.55 121.67 2yro n ASP 140 Ca 0.00 -3.77 -0.21 0.00 0.71 0.00 0.00 54.79 51.53 2yro n ASP 140 Cb 0.00 -0.65 -0.10 0.00 -0.02 0.00 0.00 41.12 40.34 2yro n ASP 140 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2yro s ILE 141 N -4.98 1.81 -0.36 0.53 -5.25 -1.26 -3.96 121.20 107.72 2yro s ILE 141 Ca 0.54 -2.20 -0.13 0.00 -0.99 0.00 0.00 60.65 57.87 2yro s ILE 141 Cb 0.44 -2.27 0.00 0.00 2.95 0.00 0.00 42.46 43.58 2yro s ILE 141 CO -0.11 -0.43 0.25 -2.28 -1.79 0.00 0.00 174.94 170.58 2yro s HIS 142 N -2.92 3.23 0.04 1.37 5.65 0.20 -4.91 115.29 117.95 2yro s HIS 142 Ca 0.27 -0.46 -0.29 0.00 0.25 0.00 0.00 55.06 54.83 2yro s HIS 142 Cb 0.01 -2.50 -0.04 0.00 -1.18 0.00 0.00 32.58 28.87 2yro s HIS 142 CO 0.10 -0.48 0.92 -1.17 -0.65 0.00 0.00 174.74 173.47 2yro s LEU 143 N 1.68 4.42 -0.17 8.88 2.96 -1.26 -1.24 118.68 133.95 2yro s LEU 143 Ca 0.05 1.64 -0.14 0.00 -0.22 0.00 0.00 54.13 55.46 2yro s LEU 143 Cb -0.18 -3.49 -0.06 0.00 0.50 0.00 0.00 46.19 42.96 2yro s LEU 143 CO 0.09 -0.15 -0.25 0.18 -1.32 0.00 0.00 176.35 174.91 2yro n LEU 144 N 3.36 1.88 -3.56 -0.68 4.77 -0.94 -3.75 117.00 118.09 2yro n LEU 144 Ca 0.03 0.46 -0.07 0.00 -0.03 0.00 0.00 56.01 56.40 2yro n LEU 144 Cb 0.50 -0.81 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 2yro n LEU 144 CO 0.51 -0.27 0.85 -0.70 -1.33 0.00 0.00 177.39 176.45 2yro s GLU 145 N -2.59 0.53 -0.13 3.23 2.12 -1.07 -4.46 118.70 116.34 2yro s GLU 145 Ca -0.24 -0.11 0.01 0.00 0.36 0.00 0.00 54.97 54.99 2yro s GLU 145 Cb 0.04 0.25 -0.01 0.00 0.26 0.00 0.00 34.13 34.67 2yro s GLU 145 CO 0.36 -0.22 -0.17 0.08 -0.54 0.00 0.00 175.26 174.78 2yro s VAL 146 N -2.27 2.65 0.06 3.70 1.01 -1.26 -2.58 120.40 121.71 2yro s VAL 146 Ca 0.05 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.33 2yro s VAL 146 Cb -0.01 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 2yro s VAL 146 CO -0.05 0.53 -0.24 -0.13 0.00 0.00 0.00 175.10 175.21 2yro s ARG 147 N 0.52 1.80 -0.26 2.72 0.52 -1.10 -5.03 118.95 118.13 2yro s ARG 147 Ca -0.11 -1.12 -0.01 0.00 -0.52 0.00 0.00 55.73 53.97 2yro s ARG 147 Cb -0.16 -2.02 0.14 0.00 0.52 0.00 0.00 34.95 33.43 2yro s ARG 147 CO 0.04 0.51 0.37 -1.12 0.02 0.00 0.00 175.30 175.12 2yro s SER 148 N -1.43 0.43 0.06 0.23 0.01 -1.26 -0.67 113.70 111.07 2yro s SER 148 Ca 0.13 -0.02 0.08 0.00 1.31 0.00 0.00 55.95 57.45 2yro s SER 148 Cb -0.10 1.04 -0.03 0.00 0.21 0.00 0.00 66.02 67.14 2yro s SER 148 CO 0.04 -0.32 -0.21 -1.66 0.41 0.00 0.00 173.24 171.50 2yro s TRP 149 N 2.52 2.48 -0.15 2.43 -2.14 -1.00 -4.96 118.94 118.13 2yro s TRP 149 Ca 0.11 -0.30 -0.04 0.00 2.66 0.00 0.00 56.10 58.53 2yro s TRP 149 Cb -0.15 -1.42 -0.03 0.00 -3.10 0.00 0.00 33.47 28.78 2yro s TRP 149 CO -0.21 0.25 -0.01 0.45 -2.66 0.00 0.00 176.95 174.77 2yro s SER 150 N -1.53 5.02 0.21 -2.66 0.15 -1.26 -2.35 113.70 111.28 2yro s SER 150 Ca 0.14 -0.05 -0.21 0.00 0.70 0.00 0.00 55.95 56.54 2yro s SER 150 Cb -0.10 -1.75 -0.13 0.00 -1.71 0.00 0.00 66.02 62.32 2yro s SER 150 CO 0.05 0.21 0.30 0.61 1.20 0.00 0.00 173.24 175.61 2yro n GLY 151 N 3.29 -1.66 1.77 9.45 0.00 -1.25 -4.93 105.19 111.86 2yro n GLY 151 Ca -0.17 0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 0.89 -2.10 -2.97 1.61 -0.04 -1.26 -4.95 135.00 126.18 2yro n PRO 152 Ca 0.13 -0.88 -0.44 0.00 -0.04 0.00 0.00 63.50 62.26 2yro n PRO 152 Cb 0.24 -0.83 -0.03 0.00 -0.04 0.00 0.00 33.50 32.84 2yro n PRO 152 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2yro s SER 153 N -3.00 6.36 -0.31 3.54 0.01 -1.26 -4.85 113.70 114.20 2yro s SER 153 Ca 0.36 -1.55 0.10 0.00 1.31 0.00 0.00 55.95 56.17 2yro s SER 153 Cb -0.04 -2.37 0.46 0.00 0.21 0.00 0.00 66.02 64.29 2yro s SER 153 CO 0.27 -1.19 1.15 -1.54 0.41 0.00 0.00 173.24 172.35 2yro n SER 154 N 6.77 4.15 0.00 2.44 3.41 -1.26 -5.36 113.62 123.78 2yro n SER 154 Ca 0.05 -3.40 0.00 0.00 -0.26 0.00 0.00 58.87 55.26 2yro n SER 154 Cb 0.46 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2yro n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49