#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yro n SER 2 N 0.00 6.09 -4.69 1.61 3.41 -1.26 -5.03 113.62 113.75 2yro n SER 2 Ca 0.00 -3.77 -0.42 0.00 -0.26 0.00 0.00 58.87 54.42 2yro n SER 2 Cb 0.00 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 63.28 2yro n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yro s SER 3 N -2.76 6.55 0.00 4.04 0.01 -1.26 -4.96 113.70 115.31 2yro s SER 3 Ca 0.55 2.56 0.00 0.00 1.31 0.00 0.00 55.95 60.38 2yro s SER 3 Cb 0.45 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 64.11 2yro s SER 3 CO -0.05 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 173.29 2yro n GLY 4 N 4.08 0.26 4.02 3.44 0.00 -1.26 -5.09 105.19 110.64 2yro n GLY 4 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 2yro n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yro s SER 5 N -1.00 5.26 1.07 1.61 0.01 -1.26 -5.08 113.70 114.31 2yro s SER 5 Ca 0.00 -0.58 -0.20 0.00 1.31 0.00 0.00 55.95 56.48 2yro s SER 5 Cb 0.00 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.07 2yro s SER 5 CO 0.00 -1.15 -0.32 -1.54 0.41 0.00 0.00 173.24 170.64 2yro n SER 6 N -2.16 -2.65 -0.18 2.44 3.41 -1.26 -5.03 113.62 108.19 2yro n SER 6 Ca 0.12 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2yro n SER 6 Cb 0.60 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 2yro n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yro n GLY 7 N 2.35 1.85 3.77 5.00 0.00 -1.26 -5.08 105.19 111.81 2yro n GLY 7 Ca 0.01 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 2yro n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yro s PRO 8 N 3.80 3.02 0.37 1.61 0.04 -1.26 -5.03 135.00 137.55 2yro s PRO 8 Ca 0.00 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.34 2yro s PRO 8 Cb 0.00 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 2yro s PRO 8 CO 0.00 -1.09 0.82 0.15 0.04 0.00 0.00 177.00 176.92 2yro s LYS 9 N -3.79 4.09 0.01 4.56 -0.14 -1.26 -5.08 119.74 118.13 2yro s LYS 9 Ca 0.69 0.85 0.08 0.00 -1.36 0.00 0.00 55.97 56.23 2yro s LYS 9 Cb -0.22 -2.33 -0.02 0.00 -1.68 0.00 0.00 37.83 33.58 2yro s LYS 9 CO 0.36 0.07 -0.25 0.45 -0.76 0.00 0.00 175.35 175.23 2yro s SER 10 N -2.26 2.93 0.00 2.83 0.15 -1.26 -4.80 113.70 111.29 2yro s SER 10 Ca 0.57 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.71 2yro s SER 10 Cb -0.10 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 2yro s SER 10 CO 0.16 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.47 2yro n GLY 11 N 2.12 3.36 2.79 9.45 0.00 -1.26 -5.09 105.19 116.55 2yro n GLY 11 Ca -0.16 -0.83 -0.44 0.00 0.00 0.00 0.00 46.02 44.58 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 0.66 0.81 2.61 -2.24 -1.26 -4.72 114.28 110.14 2yro n THR 12 Ca 0.00 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2yro n THR 12 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2yro n THR 12 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2yro n PRO 13 N 1.04 0.49 -2.51 -0.78 -0.04 -1.26 -4.77 135.00 127.18 2yro n PRO 13 Ca 0.15 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.38 2yro n PRO 13 Cb 0.12 -1.08 0.07 0.00 -0.04 0.00 0.00 33.50 32.57 2yro n PRO 13 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2yro s GLN 14 N -1.66 2.15 1.01 0.54 1.11 -1.26 -5.08 119.66 116.46 2yro s GLN 14 Ca 0.00 -0.76 -0.12 0.00 0.01 0.00 0.00 55.36 54.48 2yro s GLN 14 Cb 0.00 -2.35 0.20 0.00 -1.01 0.00 0.00 33.01 29.84 2yro s GLN 14 CO 0.00 -1.10 1.08 -0.51 0.01 0.00 0.00 175.29 174.77 2yro s LEU 15 N -5.01 1.58 0.24 2.90 1.43 -1.23 -5.06 118.68 113.52 2yro s LEU 15 Ca 0.61 1.30 0.01 0.00 -1.03 0.00 0.00 54.13 55.02 2yro s LEU 15 Cb -0.09 -3.47 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 2yro s LEU 15 CO 0.42 -3.25 0.19 -0.94 0.23 0.00 0.00 176.35 172.99 2yro s SER 16 N -3.28 0.60 0.13 2.29 1.04 -1.26 -4.65 113.70 108.57 2yro s SER 16 Ca 0.66 -1.49 0.09 0.00 0.48 0.00 0.00 55.95 55.69 2yro s SER 16 Cb -0.20 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 2yro s SER 16 CO 0.59 -0.92 -0.16 -0.76 0.98 0.00 0.00 173.24 172.96 2yro s LEU 17 N -3.22 2.75 0.18 2.42 1.43 -1.26 -2.94 118.68 118.04 2yro s LEU 17 Ca 0.39 -0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 52.61 2yro s LEU 17 Cb 0.05 -1.55 -0.08 0.00 0.03 0.00 0.00 46.19 44.64 2yro s LEU 17 CO 0.17 0.16 1.31 -2.16 0.23 0.00 0.00 176.35 176.06 2yro s PRO 18 N -2.32 4.38 -0.75 1.29 0.04 -1.26 -5.09 135.00 131.30 2yro s PRO 18 Ca 0.20 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 63.06 2yro s PRO 18 Cb -0.10 -3.21 0.08 0.00 0.04 0.00 0.00 34.50 31.31 2yro s PRO 18 CO 0.11 -0.28 1.06 0.12 0.04 0.00 0.00 177.00 178.06 2yro s PHE 19 N 0.28 2.72 -0.40 0.56 5.36 0.86 -4.95 117.98 122.41 2yro s PHE 19 Ca 0.58 -0.71 0.01 0.00 -0.96 0.00 0.00 56.93 55.84 2yro s PHE 19 Cb -0.36 -4.35 0.11 0.00 -0.34 0.00 0.00 43.02 38.08 2yro s PHE 19 CO 0.37 -1.67 0.16 0.00 -1.46 0.00 0.00 175.22 172.61 2yro s ALA 20 N 3.98 3.09 -0.00 11.12 0.00 -1.26 -0.43 121.76 138.25 2yro s ALA 20 Ca 0.27 -2.65 -0.05 0.00 0.00 0.00 0.00 51.96 49.53 2yro s ALA 20 Cb -0.12 -2.22 -0.00 0.00 0.00 0.00 0.00 23.12 20.77 2yro s ALA 20 CO 0.05 -1.79 0.10 0.00 0.00 0.00 0.00 175.76 174.12 2yro s ALA 21 N 0.84 -0.23 -0.08 0.00 0.00 -1.11 -5.01 121.76 116.17 2yro s ALA 21 Ca 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.93 2yro s ALA 21 Cb -0.21 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 2yro s ALA 21 CO -0.05 -0.17 0.01 -0.98 0.00 0.00 0.00 175.76 174.57 2yro s ARG 22 N -1.08 3.00 0.41 0.00 1.70 -1.26 -0.94 118.95 120.77 2yro s ARG 22 Ca -0.12 -0.40 -0.25 0.00 -0.47 0.00 0.00 55.73 54.49 2yro s ARG 22 Cb -0.07 -2.81 -0.08 0.00 -0.57 0.00 0.00 34.95 31.42 2yro s ARG 22 CO 0.01 0.70 1.16 -0.51 -1.08 0.00 0.00 175.30 175.58 2yro s LEU 23 N -0.93 4.17 0.31 -1.89 1.43 0.05 -4.91 118.68 116.90 2yro s LEU 23 Ca 0.14 2.32 0.07 0.00 -1.03 0.00 0.00 54.13 55.63 2yro s LEU 23 Cb -0.11 -4.06 0.85 0.00 0.03 0.00 0.00 46.19 42.90 2yro s LEU 23 CO 0.03 -0.69 1.67 -1.13 0.23 0.00 0.00 176.35 176.45 2yro h ASN 24 N 2.56 0.29 -3.70 2.29 -1.24 -1.99 -3.41 115.58 110.38 2yro h ASN 24 Ca -0.49 0.18 -0.53 0.00 0.71 0.00 0.00 56.30 56.17 2yro h ASN 24 Cb 1.23 0.18 -0.19 0.00 0.73 0.00 0.00 38.32 40.27 2yro h ASN 24 CO 0.62 -0.10 -0.79 0.42 -1.29 0.00 0.00 177.43 176.29 2yro s THR 25 N -5.83 1.80 -0.02 -3.57 -4.23 -1.26 -5.11 115.64 97.42 2yro s THR 25 Ca -0.11 -1.83 -0.30 0.00 -1.18 0.00 0.00 61.69 58.27 2yro s THR 25 Cb 0.27 -1.78 -0.05 0.00 1.34 0.00 0.00 72.50 72.28 2yro s THR 25 CO 0.78 -0.25 1.47 -2.16 -0.54 0.00 0.00 174.62 173.92 2yro s PRO 26 N -2.58 4.24 0.98 3.99 0.04 -1.26 -4.89 135.00 135.52 2yro s PRO 26 Ca 0.13 2.02 -0.16 0.00 0.04 0.00 0.00 61.00 63.04 2yro s PRO 26 Cb -0.07 -3.69 0.22 0.00 0.04 0.00 0.00 34.50 31.00 2yro s PRO 26 CO 0.06 -0.67 1.33 0.00 0.04 0.00 0.00 177.00 177.76 2yro s MET 27 N 2.92 0.42 0.00 4.56 0.23 -0.64 -4.94 119.30 121.86 2yro s MET 27 Ca 0.66 -0.60 0.00 0.00 -1.03 0.00 0.00 55.69 54.72 2yro s MET 27 Cb -0.32 -1.86 0.00 0.00 -1.53 0.00 0.00 34.83 31.12 2yro s MET 27 CO 0.26 -2.52 0.00 0.41 -2.03 0.00 0.00 175.02 171.14 2yro n GLY 28 N -3.79 -0.72 3.77 3.16 0.00 -1.25 -3.90 105.19 102.45 2yro n GLY 28 Ca 0.17 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.20 3.85 0.00 1.61 0.04 -1.26 -3.01 135.00 135.03 2yro s PRO 29 Ca 0.00 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2yro s PRO 29 Cb 0.00 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 32.04 2yro s PRO 29 CO 0.00 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.97 2yro n GLY 30 N 0.51 2.97 3.88 0.56 0.00 -0.14 -4.99 105.19 107.99 2yro n GLY 30 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.06 3.73 -0.21 1.61 1.81 -1.16 -2.78 118.95 121.87 2yro s ARG 31 Ca 0.00 0.44 -0.02 0.00 -1.72 0.00 0.00 55.73 54.43 2yro s ARG 31 Cb 0.00 -2.37 0.06 0.00 -0.45 0.00 0.00 34.95 32.20 2yro s ARG 31 CO 0.00 -0.10 0.02 0.99 -0.68 0.00 0.00 175.30 175.52 2yro s THR 32 N -2.49 0.79 -0.32 0.02 2.01 -0.37 -3.18 115.64 112.10 2yro s THR 32 Ca 0.51 -0.76 -0.11 0.00 0.31 0.00 0.00 61.69 61.63 2yro s THR 32 Cb -0.10 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.13 2yro s THR 32 CO 0.35 -0.21 0.20 -0.69 -0.69 0.00 0.00 174.62 173.59 2yro s VAL 33 N 1.73 5.07 0.08 3.82 1.01 -0.56 -1.66 120.40 129.89 2yro s VAL 33 Ca -0.02 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.81 2yro s VAL 33 Cb -0.18 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2yro s VAL 33 CO -0.08 0.07 0.02 0.68 0.00 0.00 0.00 175.10 175.79 2yro s VAL 34 N 1.70 4.16 -0.32 2.92 -7.23 -0.45 -0.45 120.40 120.73 2yro s VAL 34 Ca 0.06 -0.92 0.02 0.00 -1.81 0.00 0.00 61.98 59.33 2yro s VAL 34 Cb -0.17 -2.98 0.09 0.00 0.56 0.00 0.00 36.38 33.88 2yro s VAL 34 CO 0.09 0.13 0.05 -0.69 -0.31 0.00 0.00 175.10 174.37 2yro s VAL 35 N -1.32 1.81 -0.23 1.32 1.01 0.04 -2.83 120.40 120.20 2yro s VAL 35 Ca 0.26 -1.94 -0.19 0.00 0.00 0.00 0.00 61.98 60.12 2yro s VAL 35 Cb -0.12 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2yro s VAL 35 CO 0.19 -0.54 0.54 -0.54 0.00 0.00 0.00 175.10 174.74 2yro s LYS 36 N 1.16 4.14 0.00 2.72 1.02 -0.82 -3.02 119.74 124.95 2yro s LYS 36 Ca 0.08 0.41 0.00 0.00 0.02 0.00 0.00 55.97 56.48 2yro s LYS 36 Cb -0.19 -3.60 0.00 0.00 -0.52 0.00 0.00 37.83 33.52 2yro s LYS 36 CO -0.12 -0.25 0.00 0.41 -0.92 0.00 0.00 175.35 174.47 2yro n GLY 37 N 4.07 2.32 3.31 -3.33 0.00 -1.23 -2.17 105.19 108.16 2yro n GLY 37 Ca -0.04 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 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 0.63 0.58 0.30 1.61 2.02 -0.04 -3.25 118.70 120.54 2yro s GLU 38 Ca 0.00 0.36 -0.16 0.00 0.02 0.00 0.00 54.97 55.19 2yro s GLU 38 Cb 0.00 0.27 -0.09 0.00 0.10 0.00 0.00 34.13 34.42 2yro s GLU 38 CO 0.00 -0.11 0.73 0.08 0.02 0.00 0.00 175.26 175.98 2yro s VAL 39 N -0.29 4.66 0.03 2.63 1.01 -0.52 0.04 120.40 127.96 2yro s VAL 39 Ca -0.04 1.00 -0.23 0.00 0.00 0.00 0.00 61.98 62.71 2yro s VAL 39 Cb -0.03 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 2yro s VAL 39 CO 0.02 -0.12 0.68 0.20 0.00 0.00 0.00 175.10 175.89 2yro s ASN 40 N -2.17 7.11 0.30 3.32 0.01 -1.24 -1.54 114.94 120.74 2yro s ASN 40 Ca 0.52 1.32 0.04 0.00 -0.71 0.00 0.00 52.86 54.03 2yro s ASN 40 Cb -0.11 -2.42 0.79 0.00 0.41 0.00 0.00 41.25 39.92 2yro s ASN 40 CO 0.18 0.08 1.62 0.00 -1.51 0.00 0.00 177.10 177.47 2yro h ALA 41 N 5.51 1.34 -0.96 0.60 0.00 -1.92 0.84 119.26 124.67 2yro h ALA 41 Ca -0.45 0.26 -0.59 0.00 0.00 0.00 0.00 54.91 54.13 2yro h ALA 41 Cb 1.20 0.40 -0.29 0.00 0.00 0.00 0.00 17.79 19.10 2yro h ALA 41 CO 0.70 -0.55 0.76 0.09 0.00 0.00 0.00 179.25 180.24 2yro n ASN 42 N -5.30 5.96 -4.65 0.00 4.13 -1.26 -4.67 115.26 109.47 2yro n ASN 42 Ca 0.24 -3.66 -0.43 0.00 1.68 0.00 0.00 54.58 52.41 2yro n ASN 42 Cb 0.77 -0.92 -0.02 0.00 -1.54 0.00 0.00 39.78 38.07 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 -3.47 3.62 -0.05 5.41 0.00 0.29 -4.95 121.76 122.62 2yro s ALA 43 Ca 0.59 0.04 -0.18 0.00 0.00 0.00 0.00 51.96 52.41 2yro s ALA 43 Cb 0.48 -3.53 -0.13 0.00 0.00 0.00 0.00 23.12 19.94 2yro s ALA 43 CO 0.04 -1.16 0.76 -0.22 0.00 0.00 0.00 175.76 175.18 2yro h LYS 44 N 7.69 -0.30 -1.23 0.00 3.64 -1.87 -3.46 116.57 121.03 2yro h LYS 44 Ca -0.20 0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.35 2yro h LYS 44 Cb 1.07 0.07 -0.31 0.00 -0.41 0.00 0.00 32.23 32.65 2yro h LYS 44 CO 0.97 0.03 0.75 -1.54 -2.27 0.00 0.00 179.45 177.39 2yro s SER 45 N -5.30 -0.17 0.50 4.20 1.04 -1.26 -3.82 113.70 108.88 2yro s SER 45 Ca -0.11 0.34 0.05 0.00 0.48 0.00 0.00 55.95 56.71 2yro s SER 45 Cb 0.01 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.47 2yro s SER 45 CO 0.38 -0.06 0.21 0.72 0.98 0.00 0.00 173.24 175.47 2yro s PHE 46 N 0.09 1.97 -0.04 5.02 -0.71 -1.26 -3.47 117.98 119.58 2yro s PHE 46 Ca 0.06 -0.81 -0.30 0.00 -1.04 0.00 0.00 56.93 54.83 2yro s PHE 46 Cb -0.05 -1.82 0.07 0.00 -1.21 0.00 0.00 43.02 40.01 2yro s PHE 46 CO -0.13 -0.06 0.68 0.54 -1.34 0.00 0.00 175.22 174.91 2yro s ASN 47 N -4.04 -0.65 -0.30 1.98 4.22 -0.33 -3.23 114.94 112.59 2yro s ASN 47 Ca 0.26 0.67 0.02 0.00 -2.14 0.00 0.00 52.86 51.67 2yro s ASN 47 Cb 0.01 0.54 0.09 0.00 1.28 0.00 0.00 41.25 43.17 2yro s ASN 47 CO 0.15 -0.63 0.03 -0.69 -2.04 0.00 0.00 177.10 173.92 2yro s VAL 48 N -1.35 1.63 -0.38 3.54 1.01 -0.75 -2.06 120.40 122.03 2yro s VAL 48 Ca -0.10 -1.71 -0.20 0.00 0.00 0.00 0.00 61.98 59.96 2yro s VAL 48 Cb -0.00 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.28 2yro s VAL 48 CO 0.09 -0.47 0.62 -1.81 0.00 0.00 0.00 175.10 173.53 2yro s ASP 49 N 1.27 6.38 -0.38 3.32 1.01 0.25 -3.02 116.67 125.49 2yro s ASP 49 Ca 0.05 -0.03 -0.08 0.00 0.71 0.00 0.00 52.55 53.20 2yro s ASP 49 Cb -0.18 -2.32 0.06 0.00 1.01 0.00 0.00 42.92 41.49 2yro s ASP 49 CO -0.13 -0.64 0.19 -0.22 0.21 0.00 0.00 175.17 174.58 2yro s LEU 50 N 2.70 4.78 0.43 1.23 2.96 -0.70 -1.17 118.68 128.91 2yro s LEU 50 Ca 0.23 -1.32 0.05 0.00 -0.22 0.00 0.00 54.13 52.87 2yro s LEU 50 Cb -0.14 -1.94 -0.06 0.00 0.50 0.00 0.00 46.19 44.55 2yro s LEU 50 CO 0.16 -0.43 0.02 -1.48 -1.32 0.00 0.00 176.35 173.29 2yro s LEU 51 N 1.42 2.58 -0.30 -0.68 0.05 -1.22 -0.44 118.68 120.08 2yro s LEU 51 Ca 0.01 -1.47 -0.07 0.00 0.05 0.00 0.00 54.13 52.66 2yro s LEU 51 Cb -0.21 -0.74 0.01 0.00 -2.05 0.00 0.00 46.19 43.20 2yro s LEU 51 CO 0.03 -0.61 0.09 0.00 -0.55 0.00 0.00 176.35 175.31 2yro s ALA 52 N -2.86 3.08 0.49 1.48 0.00 0.25 -3.16 121.76 121.04 2yro s ALA 52 Ca 0.26 -1.50 0.14 0.00 0.00 0.00 0.00 51.96 50.86 2yro s ALA 52 Cb 0.07 -2.19 0.78 0.00 0.00 0.00 0.00 23.12 21.78 2yro s ALA 52 CO 0.13 -1.00 1.38 0.78 0.00 0.00 0.00 175.76 177.06 2yro h GLY 53 N 8.24 0.00 0.85 0.00 0.00 -1.86 0.35 103.07 110.66 2yro h GLY 53 Ca -0.30 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 2yro h GLY 53 CO 0.61 0.00 -0.41 1.70 0.00 0.00 0.00 176.54 178.44 2yro h LYS 54 N 0.00 -1.10 -0.11 4.80 1.63 -1.93 -3.34 116.57 116.52 2yro h LYS 54 Ca 0.00 0.08 -0.10 0.00 -0.85 0.00 0.00 60.65 59.78 2yro h LYS 54 Cb 1.13 0.25 -0.11 0.00 -0.60 0.00 0.00 32.23 32.90 2yro h LYS 54 CO 0.00 -0.74 -0.62 0.43 -3.45 0.00 0.00 179.45 175.08 2yro n SER 55 N -5.24 2.06 -3.72 4.20 7.64 -0.57 -4.97 113.62 113.02 2yro n SER 55 Ca -0.14 -3.64 -0.30 0.00 1.01 0.00 0.00 58.87 55.80 2yro n SER 55 Cb 0.45 -0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 63.11 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 -0.87 -0.81 -3.88 1.43 4.76 0.11 -4.86 118.16 114.04 2yro n LYS 56 Ca 0.21 0.10 -0.35 0.00 -2.87 0.00 0.00 58.31 55.39 2yro n LYS 56 Cb 0.78 -3.30 -0.08 0.00 -1.84 0.00 0.00 35.03 30.59 2yro n LYS 56 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2yro s ASP 57 N -2.81 5.97 -0.61 4.39 1.01 -1.22 -4.81 116.67 118.60 2yro s ASP 57 Ca 0.53 0.20 -0.28 0.00 0.71 0.00 0.00 52.55 53.71 2yro s ASP 57 Cb -0.31 -2.01 0.03 0.00 1.01 0.00 0.00 42.92 41.64 2yro s ASP 57 CO 0.74 0.21 1.19 -0.63 0.21 0.00 0.00 175.17 176.90 2yro s ILE 58 N 0.14 3.98 0.03 0.77 1.01 -1.11 -0.59 121.20 125.43 2yro s ILE 58 Ca 0.07 0.77 -0.22 0.00 0.00 0.00 0.00 60.65 61.27 2yro s ILE 58 Cb -0.12 -4.75 -0.16 0.00 0.01 0.00 0.00 42.46 37.44 2yro s ILE 58 CO -0.00 -1.43 1.34 0.00 0.00 0.00 0.00 174.94 174.85 2yro h ALA 59 N 9.62 0.16 -3.80 9.38 0.00 -1.04 -3.15 119.26 130.43 2yro h ALA 59 Ca -0.26 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.09 2yro h ALA 59 Cb 1.06 -0.04 -0.28 0.00 0.00 0.00 0.00 17.79 18.53 2yro h ALA 59 CO 1.20 -0.02 -0.74 -1.17 0.00 0.00 0.00 179.25 178.53 2yro s LEU 60 N -9.19 2.01 -0.27 0.00 2.96 -1.07 -4.16 118.68 108.95 2yro s LEU 60 Ca -0.15 -0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.69 2yro s LEU 60 Cb 0.04 -0.13 0.09 0.00 0.50 0.00 0.00 46.19 46.70 2yro s LEU 60 CO 0.73 0.03 0.09 -2.28 -1.32 0.00 0.00 176.35 173.59 2yro s HIS 61 N -0.07 1.17 -0.36 5.38 5.65 -0.69 -1.72 115.29 124.64 2yro s HIS 61 Ca 0.01 -1.27 -0.06 0.00 0.25 0.00 0.00 55.06 53.99 2yro s HIS 61 Cb -0.01 -1.32 0.06 0.00 -1.18 0.00 0.00 32.58 30.13 2yro s HIS 61 CO -0.00 -0.79 0.14 -0.51 -0.65 0.00 0.00 174.74 172.93 2yro s LEU 62 N 1.81 4.59 -0.36 8.88 1.43 -1.17 -2.62 118.68 131.24 2yro s LEU 62 Ca 0.06 -1.36 0.03 0.00 -1.03 0.00 0.00 54.13 51.84 2yro s LEU 62 Cb -0.17 -1.87 0.10 0.00 0.03 0.00 0.00 46.19 44.28 2yro s LEU 62 CO -0.23 -0.40 0.08 0.21 0.23 0.00 0.00 176.35 176.25 2yro s ASN 63 N 1.61 4.84 1.18 2.29 3.04 -1.08 -1.81 114.94 125.01 2yro s ASN 63 Ca 0.00 -2.17 -0.18 0.00 0.04 0.00 0.00 52.86 50.55 2yro s ASN 63 Cb -0.21 -1.66 0.28 0.00 -1.54 0.00 0.00 41.25 38.12 2yro s ASN 63 CO 0.01 -0.40 1.11 -2.16 -3.04 0.00 0.00 177.10 172.62 2yro s PRO 64 N 0.90 -1.05 -0.17 0.43 0.04 -1.20 -2.13 135.00 131.82 2yro s PRO 64 Ca 0.11 -0.00 -0.08 0.00 0.04 0.00 0.00 61.00 61.06 2yro s PRO 64 Cb -0.20 -1.61 0.07 0.00 0.04 0.00 0.00 34.50 32.80 2yro s PRO 64 CO -0.07 -3.61 0.39 1.03 0.04 0.00 0.00 177.00 174.77 2yro s ARG 65 N -5.35 0.34 -0.20 4.56 0.52 0.94 -4.34 118.95 115.41 2yro s ARG 65 Ca 0.70 0.84 -0.10 0.00 -0.52 0.00 0.00 55.73 56.66 2yro s ARG 65 Cb -0.11 0.08 -0.20 0.00 0.52 0.00 0.00 34.95 35.24 2yro s ARG 65 CO 0.56 -0.20 0.08 1.28 0.02 0.00 0.00 175.30 177.04 2yro n LEU 66 N 4.70 2.39 -0.28 2.53 4.77 -1.25 -0.75 117.00 129.11 2yro n LEU 66 Ca -0.18 0.21 -0.06 0.00 -0.03 0.00 0.00 56.01 55.96 2yro n LEU 66 Cb 0.53 -0.99 -0.05 0.00 -2.33 0.00 0.00 43.42 40.59 2yro n LEU 66 CO 0.06 0.68 0.34 -0.46 -1.33 0.00 0.00 177.39 176.67 2yro n ASN 67 N -3.82 -0.66 -0.07 -1.43 6.94 -1.26 -0.77 115.26 114.21 2yro n ASN 67 Ca -0.39 1.21 0.07 0.00 -0.02 0.00 0.00 54.58 55.45 2yro n ASN 67 Cb 0.91 -0.18 -0.07 0.00 -2.36 0.00 0.00 39.78 38.08 2yro n ASN 67 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 2yro n ILE 68 N -4.89 0.00 -2.54 1.53 -0.00 -1.26 -5.01 119.36 107.20 2yro n ILE 68 Ca 0.03 -0.17 -0.06 0.00 -0.00 0.00 0.00 62.75 62.54 2yro n ILE 68 Cb 0.20 1.04 0.03 0.00 -0.00 0.00 0.00 39.64 40.91 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 -1.13 -2.36 -4.31 6.28 4.76 0.05 -5.06 118.16 116.39 2yro n LYS 69 Ca 0.04 0.30 -0.26 0.00 -2.87 0.00 0.00 58.31 55.51 2yro n LYS 69 Cb 0.26 -3.68 -0.08 0.00 -1.84 0.00 0.00 35.03 29.69 2yro n LYS 69 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2yro s ALA 70 N -3.12 3.50 -0.09 7.82 0.00 0.07 -4.60 121.76 125.34 2yro s ALA 70 Ca 0.02 -2.07 -0.00 0.00 0.00 0.00 0.00 51.96 49.90 2yro s ALA 70 Cb -0.01 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.94 2yro s ALA 70 CO 0.25 -0.15 -0.05 0.12 0.00 0.00 0.00 175.76 175.93 2yro s PHE 71 N -2.65 1.14 -0.07 0.00 2.19 -1.26 -0.04 117.98 117.28 2yro s PHE 71 Ca 0.37 -0.48 -0.05 0.00 0.33 0.00 0.00 56.93 57.10 2yro s PHE 71 Cb 0.06 -1.01 -0.04 0.00 -1.31 0.00 0.00 43.02 40.72 2yro s PHE 71 CO 0.20 -0.39 0.16 0.08 1.83 0.00 0.00 175.22 177.11 2yro s VAL 72 N 1.55 5.47 -0.03 3.12 1.01 -0.90 -4.32 120.40 126.30 2yro s VAL 72 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 2yro s VAL 72 Cb -0.13 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.82 2yro s VAL 72 CO -0.05 0.50 0.06 -0.13 0.00 0.00 0.00 175.10 175.48 2yro s ARG 73 N -1.39 -0.01 0.10 2.72 3.00 -1.26 -2.62 118.95 119.49 2yro s ARG 73 Ca 0.20 0.24 -0.25 0.00 0.00 0.00 0.00 55.73 55.92 2yro s ARG 73 Cb -0.12 -0.24 0.09 0.00 0.00 0.00 0.00 34.95 34.67 2yro s ARG 73 CO 0.10 -0.18 1.14 1.21 0.00 0.00 0.00 175.30 177.57 2yro s ASN 74 N 1.15 -0.00 0.03 0.23 2.47 -1.08 -4.16 114.94 113.58 2yro s ASN 74 Ca -0.08 -0.47 -0.06 0.00 0.42 0.00 0.00 52.86 52.67 2yro s ASN 74 Cb -0.13 0.36 -0.01 0.00 -1.45 0.00 0.00 41.25 40.02 2yro s ASN 74 CO -0.04 -0.70 0.10 -0.44 -3.72 0.00 0.00 177.10 172.30 2yro s SER 75 N -3.52 0.15 -0.33 -4.21 0.01 -1.26 -1.71 113.70 102.83 2yro s SER 75 Ca 0.24 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 57.04 2yro s SER 75 Cb -0.01 0.22 0.08 0.00 0.21 0.00 0.00 66.02 66.52 2yro s SER 75 CO 0.03 -0.47 0.04 0.12 0.41 0.00 0.00 173.24 173.36 2yro s PHE 76 N -2.32 3.54 0.07 2.43 5.36 -1.19 -2.04 117.98 123.82 2yro s PHE 76 Ca -0.07 -2.53 0.06 0.00 -0.96 0.00 0.00 56.93 53.43 2yro s PHE 76 Cb -0.03 -2.64 -0.03 0.00 -0.34 0.00 0.00 43.02 39.98 2yro s PHE 76 CO -0.03 -0.91 -0.17 -0.51 -1.46 0.00 0.00 175.22 172.13 2yro s LEU 77 N 1.06 2.24 -1.31 6.12 1.43 -0.64 -2.73 118.68 124.85 2yro s LEU 77 Ca 0.03 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.42 2yro s LEU 77 Cb -0.20 -0.73 0.12 0.00 0.03 0.00 0.00 46.19 45.41 2yro s LEU 77 CO -0.05 0.03 0.49 0.00 0.23 0.00 0.00 176.35 177.05 2yro n GLN 78 N 1.46 -2.62 -3.57 1.70 6.02 -1.26 0.73 117.38 119.83 2yro n GLN 78 Ca -0.19 0.30 -0.23 0.00 -0.01 0.00 0.00 57.00 56.87 2yro n GLN 78 Cb 0.54 -4.95 0.08 0.00 1.02 0.00 0.00 30.24 26.93 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 -3.73 -7.79 -3.80 -1.09 4.71 -1.26 -5.00 120.64 102.68 2yro n GLU 79 Ca 0.04 0.83 -0.13 0.00 -0.01 0.00 0.00 57.16 57.89 2yro n GLU 79 Cb 0.50 -5.88 -0.13 0.00 -1.01 0.00 0.00 31.44 24.92 2yro n GLU 79 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2yro s SER 80 N -3.46 -0.11 -0.06 1.62 1.04 0.22 -5.15 113.70 107.80 2yro s SER 80 Ca 0.51 0.25 -0.16 0.00 0.48 0.00 0.00 55.95 57.03 2yro s SER 80 Cb -0.22 0.22 -0.05 0.00 0.10 0.00 0.00 66.02 66.06 2yro s SER 80 CO 0.73 -0.08 0.42 0.26 0.98 0.00 0.00 173.24 175.55 2yro s TRP 81 N 0.46 3.62 0.00 5.02 0.52 -1.26 -1.61 118.94 125.68 2yro s TRP 81 Ca -0.03 0.91 0.00 0.00 0.02 0.00 0.00 56.10 57.00 2yro s TRP 81 Cb -0.05 -2.40 0.00 0.00 -1.15 0.00 0.00 33.47 29.87 2yro s TRP 81 CO -0.02 0.41 0.00 0.41 0.02 0.00 0.00 176.95 177.77 2yro n GLY 82 N 2.56 -0.80 3.50 0.98 0.00 -0.87 -5.00 105.19 105.57 2yro n GLY 82 Ca -0.11 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 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 1.86 -0.07 1.61 8.01 -1.26 -4.96 118.70 123.88 2yro s GLU 83 Ca 0.00 -1.14 0.03 0.00 0.01 0.00 0.00 54.97 53.87 2yro s GLU 83 Cb 0.00 -2.15 -0.02 0.00 -4.31 0.00 0.00 34.13 27.65 2yro s GLU 83 CO 0.00 0.49 -0.17 -1.21 0.01 0.00 0.00 175.26 174.38 2yro s GLU 84 N -2.13 2.75 -0.13 1.61 2.02 -1.26 -4.38 118.70 117.18 2yro s GLU 84 Ca 0.18 -0.75 -0.03 0.00 0.02 0.00 0.00 54.97 54.39 2yro s GLU 84 Cb -0.11 -2.39 0.05 0.00 0.10 0.00 0.00 34.13 31.78 2yro s GLU 84 CO 0.11 0.45 0.04 -1.21 0.02 0.00 0.00 175.26 174.66 2yro s GLU 85 N -0.28 0.44 -1.15 1.61 8.01 -1.26 -5.01 118.70 121.06 2yro s GLU 85 Ca 0.01 -0.10 -0.09 0.00 0.01 0.00 0.00 54.97 54.80 2yro s GLU 85 Cb -0.13 -1.53 0.25 0.00 -4.31 0.00 0.00 34.13 28.40 2yro s GLU 85 CO 0.03 -0.51 1.37 0.54 0.01 0.00 0.00 175.26 176.70 2yro n ARG 86 N 5.15 3.71 -3.61 1.61 1.74 -1.26 -4.54 116.66 119.47 2yro n ARG 86 Ca -0.07 -4.22 -0.29 0.00 -0.77 0.00 0.00 57.85 52.50 2yro n ARG 86 Cb 0.49 -2.71 -0.13 0.00 -1.02 0.00 0.00 32.46 29.09 2yro n ARG 86 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2yro s ASN 87 N 0.97 3.49 0.17 0.55 -0.87 -1.26 -4.92 114.94 113.07 2yro s ASN 87 Ca 0.35 -2.11 0.09 0.00 -1.57 0.00 0.00 52.86 49.62 2yro s ASN 87 Cb -0.03 -0.71 -0.04 0.00 -0.02 0.00 0.00 41.25 40.46 2yro s ASN 87 CO -0.01 -0.33 -0.19 0.27 -2.57 0.00 0.00 177.10 174.27 2yro s ILE 88 N 1.07 1.88 0.01 0.60 -4.36 -1.26 -5.06 121.20 114.09 2yro s ILE 88 Ca 0.15 -1.96 -0.20 0.00 -0.26 0.00 0.00 60.65 58.39 2yro s ILE 88 Cb -0.22 -1.89 -0.21 0.00 1.25 0.00 0.00 42.46 41.39 2yro s ILE 88 CO -0.09 -0.31 1.15 0.74 0.24 0.00 0.00 174.94 176.66 2yro h THR 89 N 3.19 1.41 -2.45 8.37 2.02 -2.00 -3.47 112.91 119.98 2yro h THR 89 Ca -0.42 -1.95 -0.08 0.00 0.77 0.00 0.00 66.41 64.72 2yro h THR 89 Cb 1.21 2.45 -0.19 0.00 -1.74 0.00 0.00 68.15 69.88 2yro h THR 89 CO 0.51 0.57 0.01 -0.94 0.37 0.00 0.00 175.52 176.05 2yro s SER 90 N -6.66 -0.47 -0.48 4.18 1.04 -1.26 -5.13 113.70 104.92 2yro s SER 90 Ca -0.13 0.44 -0.12 0.00 0.48 0.00 0.00 55.95 56.61 2yro s SER 90 Cb 0.04 0.45 0.10 0.00 0.10 0.00 0.00 66.02 66.72 2yro s SER 90 CO 0.81 -0.56 0.38 0.12 0.98 0.00 0.00 173.24 174.97 2yro s PHE 91 N -1.37 3.32 -0.02 5.02 5.36 -1.26 -4.95 117.98 124.07 2yro s PHE 91 Ca -0.11 -1.42 -0.25 0.00 -0.96 0.00 0.00 56.93 54.18 2yro s PHE 91 Cb -0.02 -3.38 -0.19 0.00 -0.34 0.00 0.00 43.02 39.09 2yro s PHE 91 CO 0.07 -0.92 1.21 -1.00 -1.46 0.00 0.00 175.22 173.12 2yro h PRO 92 N 8.63 -0.08 -5.15 10.12 0.13 -1.98 -3.45 132.00 140.22 2yro h PRO 92 Ca -0.26 0.01 -0.61 0.00 -0.87 0.00 0.00 66.00 64.27 2yro h PRO 92 Cb 1.09 0.02 0.08 0.00 0.13 0.00 0.00 31.00 32.31 2yro h PRO 92 CO 0.89 0.38 -0.27 1.19 -0.23 0.00 0.00 178.00 179.96 2yro n PHE 93 N -4.90 -0.07 -3.83 1.56 3.72 -1.26 -4.97 117.46 107.71 2yro n PHE 93 Ca -0.08 0.86 -0.12 0.00 -0.05 0.00 0.00 57.45 58.05 2yro n PHE 93 Cb 0.25 -1.72 -0.12 0.00 -0.94 0.00 0.00 39.48 36.95 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 -0.55 -0.11 -0.46 4.37 0.15 -1.26 -5.00 113.70 110.84 2yro s SER 94 Ca 0.63 0.17 -0.28 0.00 0.70 0.00 0.00 55.95 57.18 2yro s SER 94 Cb -0.90 0.29 -0.02 0.00 -1.71 0.00 0.00 66.02 63.68 2yro s SER 94 CO 0.48 -0.14 1.77 -2.16 1.20 0.00 0.00 173.24 174.40 2yro s PRO 95 N -0.30 3.06 0.00 5.44 0.04 -1.26 -2.99 135.00 138.99 2yro s PRO 95 Ca -0.04 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.01 2yro s PRO 95 Cb -0.03 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.26 2yro s PRO 95 CO 0.01 -2.20 0.00 0.41 0.04 0.00 0.00 177.00 175.26 2yro n GLY 96 N 5.50 1.01 3.11 0.56 0.00 -0.59 -4.33 105.19 110.45 2yro n GLY 96 Ca 0.21 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.87 0.65 -0.34 1.61 0.23 -1.16 -4.91 119.30 114.52 2yro s MET 97 Ca 0.00 -1.13 -0.22 0.00 -1.03 0.00 0.00 55.69 53.31 2yro s MET 97 Cb 0.00 0.24 0.00 0.00 -1.53 0.00 0.00 34.83 33.54 2yro s MET 97 CO 0.00 -0.14 0.71 -0.47 -2.03 0.00 0.00 175.02 173.09 2yro s TYR 98 N -3.80 3.16 -0.05 3.16 6.14 -1.26 -1.44 117.35 123.27 2yro s TYR 98 Ca 0.06 0.56 0.04 0.00 0.64 0.00 0.00 57.07 58.37 2yro s TYR 98 Cb 0.07 -3.20 -0.03 0.00 0.42 0.00 0.00 41.96 39.22 2yro s TYR 98 CO -0.10 -0.61 -0.15 -0.59 0.64 0.00 0.00 175.55 174.74 2yro s PHE 99 N 2.86 2.67 -0.24 4.97 -0.71 -1.20 -4.96 117.98 121.36 2yro s PHE 99 Ca 0.28 -0.19 0.02 0.00 -1.04 0.00 0.00 56.93 56.00 2yro s PHE 99 Cb -0.14 -1.62 0.05 0.00 -1.21 0.00 0.00 43.02 40.10 2yro s PHE 99 CO 0.14 0.16 -0.12 -2.00 -1.34 0.00 0.00 175.22 172.06 2yro s GLU 100 N -0.70 2.33 -0.20 1.99 2.12 -1.26 -3.54 118.70 119.43 2yro s GLU 100 Ca 0.11 -1.21 -0.12 0.00 0.36 0.00 0.00 54.97 54.10 2yro s GLU 100 Cb -0.11 -2.79 -0.05 0.00 0.26 0.00 0.00 34.13 31.44 2yro s GLU 100 CO 0.00 -0.50 0.24 1.41 -0.54 0.00 0.00 175.26 175.87 2yro s MET 101 N 1.16 4.16 -0.25 4.30 -2.45 -1.17 -2.25 119.30 122.81 2yro s MET 101 Ca -0.06 -0.07 -0.01 0.00 -1.25 0.00 0.00 55.69 54.30 2yro s MET 101 Cb -0.19 -3.49 0.03 0.00 1.25 0.00 0.00 34.83 32.44 2yro s MET 101 CO -0.07 0.13 -0.06 0.42 1.05 0.00 0.00 175.02 176.49 2yro s ILE 102 N 0.83 2.77 -0.48 10.11 1.01 -0.58 -0.78 121.20 134.08 2yro s ILE 102 Ca 0.12 -1.14 -0.15 0.00 0.00 0.00 0.00 60.65 59.48 2yro s ILE 102 Cb -0.13 -2.45 0.09 0.00 0.01 0.00 0.00 42.46 39.98 2yro s ILE 102 CO 0.04 0.14 0.40 -0.63 0.00 0.00 0.00 174.94 174.89 2yro s ILE 103 N 1.29 5.10 -0.07 2.92 1.01 0.40 -2.61 121.20 129.24 2yro s ILE 103 Ca -0.01 -1.20 -0.02 0.00 0.00 0.00 0.00 60.65 59.41 2yro s ILE 103 Cb -0.17 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 2yro s ILE 103 CO -0.04 -0.63 0.03 -0.47 0.00 0.00 0.00 174.94 173.82 2yro s TYR 104 N 1.60 3.22 -0.31 3.97 5.04 -1.23 -1.50 117.35 128.13 2yro s TYR 104 Ca 0.04 0.22 -0.03 0.00 -2.44 0.00 0.00 57.07 54.86 2yro s TYR 104 Cb -0.25 -1.79 0.05 0.00 0.35 0.00 0.00 41.96 40.32 2yro s TYR 104 CO 0.05 0.51 0.03 0.00 -1.34 0.00 0.00 175.55 174.80 2yro n ASP 106 N 4.67 4.11 -1.86 0.00 -0.08 -1.25 -0.97 116.55 121.17 2yro n ASP 106 Ca -0.13 -3.43 -0.08 0.00 -1.51 0.00 0.00 54.79 49.64 2yro n ASP 106 Cb 0.44 -0.76 -0.02 0.00 2.34 0.00 0.00 41.12 43.12 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 -0.67 -0.19 0.00 5.18 0.31 -1.26 -4.55 118.33 117.15 2yro n VAL 107 Ca 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.80 2yro n VAL 107 Cb 1.44 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 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 -2.11 0.66 -3.59 5.55 5.12 -1.26 -5.10 116.66 115.92 2yro n ARG 108 Ca -0.08 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.79 2yro n ARG 108 Cb 0.41 -0.63 -0.02 0.00 -1.16 0.00 0.00 32.46 31.07 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 1.03 -1.26 -4.08 118.70 118.78 2yro s GLU 109 Ca 0.00 -0.25 -0.21 0.00 0.03 0.00 0.00 54.97 54.53 2yro s GLU 109 Cb 0.00 0.25 0.05 0.00 -0.80 0.00 0.00 34.13 33.62 2yro s GLU 109 CO 0.00 -0.26 0.75 -0.06 -1.33 0.00 0.00 175.26 174.36 2yro s PHE 110 N -2.75 2.95 0.31 4.83 0.08 0.13 -3.94 117.98 119.58 2yro s PHE 110 Ca 0.09 -0.26 -0.04 0.00 0.12 0.00 0.00 56.93 56.84 2yro s PHE 110 Cb -0.00 -3.72 -0.05 0.00 -0.57 0.00 0.00 43.02 38.68 2yro s PHE 110 CO -0.05 -1.13 0.57 0.15 -0.10 0.00 0.00 175.22 174.66 2yro s LYS 111 N 3.17 3.61 -0.23 0.44 1.02 -1.19 -1.02 119.74 125.54 2yro s LYS 111 Ca 0.22 -0.02 -0.04 0.00 0.02 0.00 0.00 55.97 56.16 2yro s LYS 111 Cb -0.16 -2.63 0.12 0.00 -0.52 0.00 0.00 37.83 34.64 2yro s LYS 111 CO 0.16 0.18 0.39 0.54 -0.92 0.00 0.00 175.35 175.70 2yro s VAL 112 N -2.15 -0.62 0.02 3.17 0.11 -1.24 -3.57 120.40 116.13 2yro s VAL 112 Ca 0.44 -0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.52 2yro s VAL 112 Cb -0.11 -0.77 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 2yro s VAL 112 CO 0.31 -0.07 -0.07 0.00 -3.33 0.00 0.00 175.10 171.95 2yro s ALA 113 N 2.56 3.02 -0.06 1.54 0.00 -1.07 -3.59 121.76 124.16 2yro s ALA 113 Ca 0.09 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.03 2yro s ALA 113 Cb -0.15 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.88 2yro s ALA 113 CO -0.15 0.62 -0.17 0.08 0.00 0.00 0.00 175.76 176.14 2yro s VAL 114 N -1.04 1.45 -1.37 0.00 1.01 0.13 -1.53 120.40 119.05 2yro s VAL 114 Ca 0.18 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 2yro s VAL 114 Cb -0.11 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.00 2yro s VAL 114 CO 0.09 0.42 0.67 0.59 0.00 0.00 0.00 175.10 176.87 2yro n ASN 115 N 3.41 -5.77 -2.10 3.32 5.03 -0.95 -2.19 115.26 115.99 2yro n ASN 115 Ca -0.20 -0.31 -0.15 0.00 0.87 0.00 0.00 54.58 54.79 2yro n ASN 115 Cb 0.53 -4.55 0.03 0.00 -1.02 0.00 0.00 39.78 34.76 2yro n ASN 115 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2yro n GLY 116 N -1.55 -0.11 3.28 7.41 0.00 -1.26 -5.02 105.19 107.95 2yro n GLY 116 Ca -0.08 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.98 0.01 0.17 1.61 1.01 -0.93 -5.15 120.40 114.14 2yro s VAL 117 Ca 0.21 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 2yro s VAL 117 Cb -0.09 -0.57 -0.07 0.00 0.00 0.00 0.00 36.38 35.64 2yro s VAL 117 CO 0.26 -0.04 0.96 -2.28 0.00 0.00 0.00 175.10 174.00 2yro s HIS 118 N -0.08 3.87 0.01 5.22 2.46 -1.26 0.20 115.29 125.70 2yro s HIS 118 Ca -0.03 1.84 -0.01 0.00 0.47 0.00 0.00 55.06 57.33 2yro s HIS 118 Cb -0.03 -3.04 -0.00 0.00 -0.13 0.00 0.00 32.58 29.38 2yro s HIS 118 CO 0.01 0.27 -0.03 0.43 -2.47 0.00 0.00 174.74 172.95 2yro n SER 119 N 2.22 0.39 -4.02 9.88 7.64 -1.24 -4.92 113.62 123.57 2yro n SER 119 Ca 0.01 0.06 -0.08 0.00 1.01 0.00 0.00 58.87 59.86 2yro n SER 119 Cb 0.48 -0.22 -0.09 0.00 -1.01 0.00 0.00 64.21 63.37 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 -5.66 1.88 0.40 -3.43 -0.00 -1.26 -4.87 118.68 105.75 2yro s LEU 120 Ca -0.02 -0.92 0.07 0.00 -0.00 0.00 0.00 54.13 53.26 2yro s LEU 120 Cb 0.00 0.57 -0.07 0.00 -0.00 0.00 0.00 46.19 46.70 2yro s LEU 120 CO 0.03 -0.69 0.04 -1.61 -0.00 0.00 0.00 176.35 174.12 2yro s GLU 121 N -3.93 2.02 -0.26 1.48 8.01 -1.26 -3.64 118.70 121.12 2yro s GLU 121 Ca 0.11 -2.02 -0.01 0.00 0.01 0.00 0.00 54.97 53.05 2yro s GLU 121 Cb 0.06 -1.74 0.14 0.00 -4.31 0.00 0.00 34.13 28.29 2yro s GLU 121 CO -0.07 -0.05 0.36 -0.47 0.01 0.00 0.00 175.26 175.04 2yro s TYR 122 N -2.67 -0.77 0.31 1.61 6.14 -0.19 -5.01 117.35 116.76 2yro s TYR 122 Ca 0.36 0.50 -0.25 0.00 0.64 0.00 0.00 57.07 58.33 2yro s TYR 122 Cb 0.08 -0.13 -0.16 0.00 0.42 0.00 0.00 41.96 42.17 2yro s TYR 122 CO 0.19 -0.81 0.37 1.63 0.64 0.00 0.00 175.55 177.58 2yro n LYS 123 N 5.35 0.13 -1.56 4.97 5.02 -1.26 0.17 118.16 130.98 2yro n LYS 123 Ca -0.02 0.05 -0.39 0.00 -2.02 0.00 0.00 58.31 55.92 2yro n LYS 123 Cb 0.49 -1.10 -0.04 0.00 -0.02 0.00 0.00 35.03 34.37 2yro n LYS 123 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2yro n HIS 124 N -0.49 1.59 0.01 2.13 8.25 -1.26 -4.49 115.22 120.96 2yro n HIS 124 Ca 0.14 0.05 -0.18 0.00 -0.26 0.00 0.00 57.72 57.47 2yro n HIS 124 Cb 0.33 -2.66 -0.12 0.00 1.12 0.00 0.00 29.99 28.66 2yro n HIS 124 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2yro h ARG 125 N 17.49 0.35 -5.65 -0.41 9.65 -1.83 -3.43 114.38 130.56 2yro h ARG 125 Ca -0.29 -0.43 -0.60 0.00 -1.10 0.00 0.00 59.98 57.56 2yro h ARG 125 Cb 1.26 0.13 -0.10 0.00 -1.39 0.00 0.00 29.97 29.88 2yro h ARG 125 CO 1.09 1.12 0.31 0.12 2.80 0.00 0.00 179.97 185.42 2yro s PHE 126 N -2.99 3.30 0.06 2.20 5.36 -1.26 -4.97 117.98 119.68 2yro s PHE 126 Ca -0.14 0.97 -0.37 0.00 -0.96 0.00 0.00 56.93 56.44 2yro s PHE 126 Cb 0.02 -2.94 -0.20 0.00 -0.34 0.00 0.00 43.02 39.56 2yro s PHE 126 CO 0.82 -0.36 1.58 0.87 -1.46 0.00 0.00 175.22 176.66 2yro h LYS 127 N 7.79 -1.21 -6.30 10.12 1.79 -1.98 -3.39 116.57 123.39 2yro h LYS 127 Ca -0.25 0.08 -0.58 0.00 -2.18 0.00 0.00 60.65 57.73 2yro h LYS 127 Cb 1.11 0.27 -0.03 0.00 -1.58 0.00 0.00 32.23 32.00 2yro h LYS 127 CO 0.82 -0.81 1.26 -2.00 -1.08 0.00 0.00 179.45 177.64 2yro s GLU 128 N -5.99 3.37 -0.02 3.15 2.12 -1.26 -4.84 118.70 115.23 2yro s GLU 128 Ca -0.19 1.40 0.13 0.00 0.36 0.00 0.00 54.97 56.67 2yro s GLU 128 Cb 0.02 -4.18 -0.21 0.00 0.26 0.00 0.00 34.13 30.03 2yro s GLU 128 CO 0.60 -1.82 0.72 -0.07 -0.54 0.00 0.00 175.26 174.15 2yro h LEU 129 N 13.50 0.00 -1.24 2.70 3.38 -1.91 -3.33 115.31 128.41 2yro h LEU 129 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2yro h LEU 129 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2yro h LEU 129 CO 1.03 0.91 0.00 -1.20 0.09 0.00 0.00 178.44 179.27 2yro n SER 130 N -3.02 1.51 -0.09 -0.43 7.64 -1.25 -3.42 113.62 114.56 2yro n SER 130 Ca -0.15 -2.11 -0.12 0.00 1.01 0.00 0.00 58.87 57.50 2yro n SER 130 Cb 1.00 -0.48 -0.11 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.05 1.81 -4.53 6.43 7.64 -1.25 -4.81 113.62 118.97 2yro n SER 131 Ca 0.04 -0.07 -0.41 0.00 1.01 0.00 0.00 58.87 59.44 2yro n SER 131 Cb 0.35 0.17 -0.06 0.00 -1.01 0.00 0.00 64.21 63.66 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 -2.90 0.06 0.00 0.44 5.41 -1.22 -4.23 119.36 116.92 2yro n ILE 132 Ca -0.33 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 62.92 2yro n ILE 132 Cb 0.95 -2.17 0.00 0.00 -0.71 0.00 0.00 39.64 37.71 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 13.04 3.97 -4.83 4.38 5.68 -1.25 -1.61 116.55 135.93 2yro n ASP 133 Ca 0.41 0.00 -0.37 0.00 -0.50 0.00 0.00 54.79 54.33 2yro n ASP 133 Cb 0.38 0.12 -0.06 0.00 -1.14 0.00 0.00 41.12 40.42 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 -1.93 4.78 -0.26 2.12 2.01 -1.19 -0.77 115.64 120.40 2yro s THR 134 Ca 0.00 1.02 -0.01 0.00 0.31 0.00 0.00 61.69 63.02 2yro s THR 134 Cb 0.00 -3.81 0.08 0.00 0.01 0.00 0.00 72.50 68.78 2yro s THR 134 CO 0.00 0.36 0.03 -0.22 -0.69 0.00 0.00 174.62 174.10 2yro s LEU 135 N -1.64 2.18 -0.19 4.42 2.96 -0.12 -3.45 118.68 122.85 2yro s LEU 135 Ca 0.35 -1.30 -0.10 0.00 -0.22 0.00 0.00 54.13 52.86 2yro s LEU 135 Cb -0.17 -0.92 -0.05 0.00 0.50 0.00 0.00 46.19 45.55 2yro s LEU 135 CO 0.19 -0.33 0.12 -1.61 -1.32 0.00 0.00 176.35 173.41 2yro s GLU 136 N 1.58 4.13 -0.05 1.98 2.02 -0.31 -2.74 118.70 125.31 2yro s GLU 136 Ca 0.02 -0.23 -0.01 0.00 0.02 0.00 0.00 54.97 54.78 2yro s GLU 136 Cb -0.18 -3.39 0.03 0.00 0.10 0.00 0.00 34.13 30.69 2yro s GLU 136 CO -0.14 0.32 0.02 0.42 0.02 0.00 0.00 175.26 175.91 2yro s ILE 137 N 0.28 0.13 0.25 -1.63 1.01 0.43 -0.58 121.20 121.10 2yro s ILE 137 Ca 0.08 0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.97 2yro s ILE 137 Cb -0.11 -0.31 -0.05 0.00 0.01 0.00 0.00 42.46 42.00 2yro s ILE 137 CO -0.01 0.19 0.12 0.20 0.00 0.00 0.00 174.94 175.44 2yro s ASN 138 N 1.75 0.94 0.00 3.58 -0.87 -0.87 -0.10 114.94 119.37 2yro s ASN 138 Ca 0.00 -1.42 0.00 0.00 -1.57 0.00 0.00 52.86 49.88 2yro s ASN 138 Cb -0.13 0.27 0.00 0.00 -0.02 0.00 0.00 41.25 41.37 2yro s ASN 138 CO -0.03 -0.79 0.00 0.61 -2.57 0.00 0.00 177.10 174.31 2yro n GLY 139 N -0.43 0.93 2.46 0.66 0.00 -1.26 -1.18 105.19 106.37 2yro n GLY 139 Ca 0.01 -1.92 -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 0.00 5.86 -4.40 1.61 8.00 -1.23 -4.96 116.55 121.43 2yro n ASP 140 Ca 0.00 -3.77 -0.20 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 40.35 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 -5.12 1.76 -0.36 0.53 -5.25 -1.26 -3.63 121.20 107.87 2yro s ILE 141 Ca 0.52 -2.19 -0.13 0.00 -0.99 0.00 0.00 60.65 57.86 2yro s ILE 141 Cb 0.43 -2.26 -0.00 0.00 2.95 0.00 0.00 42.46 43.57 2yro s ILE 141 CO -0.17 -0.44 0.24 -2.28 -1.79 0.00 0.00 174.94 170.51 2yro s HIS 142 N -2.95 3.23 -0.20 1.37 5.65 0.11 -4.91 115.29 117.58 2yro s HIS 142 Ca 0.26 -0.42 -0.22 0.00 0.25 0.00 0.00 55.06 54.93 2yro s HIS 142 Cb 0.01 -2.49 -0.02 0.00 -1.18 0.00 0.00 32.58 28.90 2yro s HIS 142 CO 0.10 -0.46 0.68 -1.17 -0.65 0.00 0.00 174.74 173.24 2yro s LEU 143 N 1.68 4.14 -0.16 8.88 2.96 -1.26 -0.86 118.68 134.06 2yro s LEU 143 Ca 0.05 0.90 -0.12 0.00 -0.22 0.00 0.00 54.13 54.74 2yro s LEU 143 Cb -0.18 -2.97 -0.07 0.00 0.50 0.00 0.00 46.19 43.47 2yro s LEU 143 CO 0.09 -0.32 -0.09 0.18 -1.32 0.00 0.00 176.35 174.89 2yro n LEU 144 N 5.20 1.82 -3.59 -0.68 4.77 -0.95 -3.58 117.00 119.99 2yro n LEU 144 Ca 0.00 0.59 -0.09 0.00 -0.03 0.00 0.00 56.01 56.47 2yro n LEU 144 Cb 0.49 -0.89 -0.05 0.00 -2.33 0.00 0.00 43.42 40.64 2yro n LEU 144 CO 0.45 -0.30 0.81 -0.70 -1.33 0.00 0.00 177.39 176.32 2yro s GLU 145 N -2.27 0.53 -0.09 3.23 2.56 -0.92 -4.29 118.70 117.44 2yro s GLU 145 Ca -0.18 0.21 0.00 0.00 0.00 0.00 0.00 54.97 55.00 2yro s GLU 145 Cb 0.03 0.25 0.02 0.00 2.00 0.00 0.00 34.13 36.43 2yro s GLU 145 CO 0.31 -0.15 -0.09 0.08 -0.56 0.00 0.00 175.26 174.85 2yro s VAL 146 N -0.84 1.01 0.09 3.70 1.01 -1.26 -1.94 120.40 122.17 2yro s VAL 146 Ca 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.71 2yro s VAL 146 Cb -0.01 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 2yro s VAL 146 CO -0.01 0.35 -0.15 0.00 0.00 0.00 0.00 175.10 175.30 2yro s ARG 147 N 1.35 0.92 -0.15 2.72 1.70 -1.13 -5.01 118.95 119.35 2yro s ARG 147 Ca -0.02 -1.09 -0.02 0.00 -0.47 0.00 0.00 55.73 54.13 2yro s ARG 147 Cb -0.14 -0.89 0.05 0.00 -0.57 0.00 0.00 34.95 33.40 2yro s ARG 147 CO -0.04 0.19 0.01 -1.54 -1.08 0.00 0.00 175.30 172.84 2yro s SER 148 N -2.06 2.47 0.21 -2.89 1.04 -1.26 -1.33 113.70 109.88 2yro s SER 148 Ca 0.03 -0.56 0.10 0.00 0.48 0.00 0.00 55.95 56.01 2yro s SER 148 Cb -0.08 -0.60 -0.04 0.00 0.10 0.00 0.00 66.02 65.40 2yro s SER 148 CO 0.03 -0.25 -0.16 -1.66 0.98 0.00 0.00 173.24 172.17 2yro s TRP 149 N 1.86 2.45 -0.44 5.02 -2.14 -0.67 -4.86 118.94 120.16 2yro s TRP 149 Ca 0.01 -0.29 -0.29 0.00 2.66 0.00 0.00 56.10 58.19 2yro s TRP 149 Cb -0.15 -1.17 0.03 0.00 -3.10 0.00 0.00 33.47 29.08 2yro s TRP 149 CO -0.07 0.55 1.11 -1.54 -2.66 0.00 0.00 176.95 174.34 2yro s SER 150 N -2.96 6.70 0.00 -2.66 1.04 -1.26 -1.24 113.70 113.32 2yro s SER 150 Ca 0.25 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.27 2yro s SER 150 Cb -0.08 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2yro s SER 150 CO 0.13 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2yro n GLY 151 N 4.61 0.07 3.55 7.32 0.00 -1.12 -4.93 105.19 114.70 2yro n GLY 151 Ca 0.12 -1.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.10 2yro n GLY 151 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yro s PRO 152 N 0.51 2.62 -0.29 1.61 0.04 -1.26 -4.95 135.00 133.28 2yro s PRO 152 Ca 0.00 0.60 -0.01 0.00 0.04 0.00 0.00 61.00 61.63 2yro s PRO 152 Cb 0.00 -4.40 0.05 0.00 0.04 0.00 0.00 34.50 30.20 2yro s PRO 152 CO 0.00 -2.74 -0.03 0.45 0.04 0.00 0.00 177.00 174.72 2yro s SER 153 N 8.12 4.77 0.00 6.66 0.15 -1.26 -4.91 113.70 127.23 2yro s SER 153 Ca 0.67 -1.29 0.00 0.00 0.70 0.00 0.00 55.95 56.03 2yro s SER 153 Cb -0.13 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.51 2yro s SER 153 CO 0.20 -0.24 0.00 -1.54 1.20 0.00 0.00 173.24 172.86 2yro n SER 154 N 4.58 2.28 0.00 5.45 3.41 -1.26 -5.14 113.62 122.94 2yro n SER 154 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 2yro n SER 154 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2yro n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49