#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 -4.04 -0.07 1.61 7.64 -1.26 -4.90 113.62 112.60 2yro n SER 2 Ca 0.00 -0.79 -0.10 0.00 1.01 0.00 0.00 58.87 58.99 2yro n SER 2 Cb 0.00 -3.91 -0.03 0.00 -1.01 0.00 0.00 64.21 59.26 2yro n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yro n SER 3 N -2.88 1.79 0.00 6.43 7.64 -1.26 -5.14 113.62 120.20 2yro n SER 3 Ca -0.03 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2yro n SER 3 Cb 0.56 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 2yro n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yro n GLY 4 N 1.76 4.76 3.28 0.23 0.00 -1.26 -5.17 105.19 108.78 2yro n GLY 4 Ca -0.16 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 2yro n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yro s SER 5 N 0.00 -0.21 -0.04 1.61 0.15 -1.26 -4.92 113.70 109.02 2yro s SER 5 Ca 0.00 -0.03 -0.11 0.00 0.70 0.00 0.00 55.95 56.51 2yro s SER 5 Cb 0.00 0.38 -0.06 0.00 -1.71 0.00 0.00 66.02 64.63 2yro s SER 5 CO 0.00 -0.59 0.48 0.28 1.20 0.00 0.00 173.24 174.61 2yro h SER 6 N 3.29 -0.34 0.00 5.45 0.02 -1.99 -3.50 113.55 116.48 2yro h SER 6 Ca -0.31 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2yro h SER 6 Cb 1.19 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2yro h SER 6 CO 0.43 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.81 2yro n GLY 7 N 0.71 2.84 3.75 -3.77 0.00 -1.26 -5.14 105.19 102.32 2yro n GLY 7 Ca -0.05 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.39 1.83 -0.30 1.61 0.04 -1.26 -4.91 135.00 130.63 2yro s PRO 8 Ca 0.00 1.03 -0.10 0.00 0.04 0.00 0.00 61.00 61.96 2yro s PRO 8 Cb 0.00 -1.86 0.16 0.00 0.04 0.00 0.00 34.50 32.84 2yro s PRO 8 CO 0.00 -1.90 0.79 0.21 0.04 0.00 0.00 177.00 176.14 2yro s LYS 9 N -4.92 0.45 0.32 4.56 2.47 -1.26 -5.18 119.74 116.19 2yro s LYS 9 Ca 0.62 1.04 0.06 0.00 -1.56 0.00 0.00 55.97 56.13 2yro s LYS 9 Cb -0.17 0.62 -0.06 0.00 -1.46 0.00 0.00 37.83 36.75 2yro s LYS 9 CO 0.56 -0.24 -0.00 -1.54 0.16 0.00 0.00 175.35 174.29 2yro s SER 10 N 2.75 2.85 0.00 1.43 1.04 -1.26 -4.91 113.70 115.60 2yro s SER 10 Ca 0.01 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.14 2yro s SER 10 Cb -0.10 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.83 2yro s SER 10 CO -0.18 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.19 2yro n GLY 11 N -0.70 0.49 3.21 7.32 0.00 -1.26 -5.11 105.19 109.14 2yro n GLY 11 Ca -0.04 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.99 0.08 -1.02 2.61 -4.23 -1.26 -5.09 115.64 104.75 2yro s THR 12 Ca 0.00 -0.69 -0.24 0.00 -1.18 0.00 0.00 61.69 59.58 2yro s THR 12 Cb 0.00 -0.80 -0.06 0.00 1.34 0.00 0.00 72.50 72.98 2yro s THR 12 CO 0.00 -0.38 1.94 -2.16 -0.54 0.00 0.00 174.62 173.48 2yro s PRO 13 N -2.13 2.53 1.01 3.99 0.04 -1.26 -4.96 135.00 134.22 2yro s PRO 13 Ca -0.08 -0.65 -0.12 0.00 0.04 0.00 0.00 61.00 60.20 2yro s PRO 13 Cb -0.03 -5.14 0.20 0.00 0.04 0.00 0.00 34.50 29.57 2yro s PRO 13 CO -0.01 -3.63 1.08 1.14 0.04 0.00 0.00 177.00 175.62 2yro s GLN 14 N 6.79 0.30 0.49 4.56 -2.07 -1.24 -4.65 119.66 123.85 2yro s GLN 14 Ca 0.69 1.00 0.03 0.00 -1.82 0.00 0.00 55.36 55.26 2yro s GLN 14 Cb -0.04 -1.68 -0.02 0.00 -1.09 0.00 0.00 33.01 30.17 2yro s GLN 14 CO 0.05 -2.95 0.03 -0.51 -1.32 0.00 0.00 175.29 170.60 2yro s LEU 15 N -6.72 2.46 0.15 2.60 1.43 0.68 -4.98 118.68 114.30 2yro s LEU 15 Ca 0.66 -1.56 0.08 0.00 -1.03 0.00 0.00 54.13 52.28 2yro s LEU 15 Cb -0.22 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 2yro s LEU 15 CO 0.60 -0.78 -0.17 -0.44 0.23 0.00 0.00 176.35 175.79 2yro s SER 16 N -3.87 2.50 0.12 2.29 0.01 -1.26 -4.46 113.70 109.02 2yro s SER 16 Ca 0.14 -0.84 0.06 0.00 1.31 0.00 0.00 55.95 56.62 2yro s SER 16 Cb 0.03 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 2yro s SER 16 CO 0.08 -0.06 0.00 -0.76 0.41 0.00 0.00 173.24 172.91 2yro s LEU 17 N -2.58 3.44 0.17 2.44 1.43 -1.26 -2.98 118.68 119.33 2yro s LEU 17 Ca 0.14 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 2yro s LEU 17 Cb -0.06 -2.14 -0.08 0.00 0.03 0.00 0.00 46.19 43.94 2yro s LEU 17 CO 0.06 0.15 1.32 -2.16 0.23 0.00 0.00 176.35 175.95 2yro s PRO 18 N -2.51 4.37 -0.74 1.29 0.04 -1.26 -5.07 135.00 131.13 2yro s PRO 18 Ca 0.26 2.04 -0.25 0.00 0.04 0.00 0.00 61.00 63.10 2yro s PRO 18 Cb -0.11 -3.22 0.05 0.00 0.04 0.00 0.00 34.50 31.27 2yro s PRO 18 CO 0.19 -0.30 1.17 0.12 0.04 0.00 0.00 177.00 178.21 2yro s PHE 19 N 0.41 2.48 -0.42 0.56 5.36 0.65 -4.88 117.98 122.14 2yro s PHE 19 Ca 0.59 -0.35 -0.01 0.00 -0.96 0.00 0.00 56.93 56.19 2yro s PHE 19 Cb -0.36 -4.49 0.11 0.00 -0.34 0.00 0.00 43.02 37.94 2yro s PHE 19 CO 0.36 -1.88 0.20 0.00 -1.46 0.00 0.00 175.22 172.43 2yro s ALA 20 N 4.93 3.15 0.01 11.12 0.00 -1.26 -1.16 121.76 138.55 2yro s ALA 20 Ca 0.31 -2.65 0.01 0.00 0.00 0.00 0.00 51.96 49.63 2yro s ALA 20 Cb -0.11 -2.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 2yro s ALA 20 CO 0.10 -1.82 -0.04 0.00 0.00 0.00 0.00 175.76 174.00 2yro s ALA 21 N 0.90 0.31 -0.05 0.00 0.00 -1.12 -5.01 121.76 116.80 2yro s ALA 21 Ca 0.10 -0.31 -0.08 0.00 0.00 0.00 0.00 51.96 51.67 2yro s ALA 21 Cb -0.22 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 2yro s ALA 21 CO -0.05 0.02 0.23 1.03 0.00 0.00 0.00 175.76 177.00 2yro s ARG 22 N -0.53 3.57 0.10 0.00 0.52 -1.26 -1.86 118.95 119.49 2yro s ARG 22 Ca -0.03 -0.04 -0.27 0.00 -0.52 0.00 0.00 55.73 54.87 2yro s ARG 22 Cb -0.04 -3.15 -0.06 0.00 0.52 0.00 0.00 34.95 32.22 2yro s ARG 22 CO -0.00 0.71 0.84 -0.51 0.02 0.00 0.00 175.30 176.36 2yro s LEU 23 N -1.37 4.51 0.37 2.53 1.43 0.69 -4.93 118.68 121.89 2yro s LEU 23 Ca 0.22 1.63 0.19 0.00 -1.03 0.00 0.00 54.13 55.14 2yro s LEU 23 Cb -0.13 -3.38 1.25 0.00 0.03 0.00 0.00 46.19 43.95 2yro s LEU 23 CO 0.11 0.04 1.62 -1.13 0.23 0.00 0.00 176.35 177.22 2yro h ASN 24 N 5.28 0.40 -4.23 2.29 -1.24 -1.98 -3.40 115.58 112.70 2yro h ASN 24 Ca -0.44 0.22 -0.39 0.00 0.71 0.00 0.00 56.30 56.40 2yro h ASN 24 Cb 1.21 0.20 -0.19 0.00 0.73 0.00 0.00 38.32 40.27 2yro h ASN 24 CO 0.70 -0.28 -0.76 0.42 -1.29 0.00 0.00 177.43 176.22 2yro s THR 25 N -5.56 1.18 -0.10 -3.57 -4.23 -1.26 -5.11 115.64 96.99 2yro s THR 25 Ca -0.09 -1.61 -0.29 0.00 -1.18 0.00 0.00 61.69 58.51 2yro s THR 25 Cb 0.32 -1.39 -0.04 0.00 1.34 0.00 0.00 72.50 72.73 2yro s THR 25 CO 0.79 -0.41 1.52 -2.16 -0.54 0.00 0.00 174.62 173.82 2yro s PRO 26 N -2.50 4.18 1.14 3.99 0.04 -1.26 -4.83 135.00 135.76 2yro s PRO 26 Ca 0.06 1.99 -0.18 0.00 0.04 0.00 0.00 61.00 62.91 2yro s PRO 26 Cb -0.05 -3.92 0.26 0.00 0.04 0.00 0.00 34.50 30.83 2yro s PRO 26 CO 0.02 -0.82 1.12 0.00 0.04 0.00 0.00 177.00 177.36 2yro s MET 27 N 3.89 -0.75 0.00 4.56 0.23 0.47 -4.82 119.30 122.88 2yro s MET 27 Ca 0.67 0.01 0.00 0.00 -1.03 0.00 0.00 55.69 55.34 2yro s MET 27 Cb -0.29 -1.64 0.00 0.00 -1.53 0.00 0.00 34.83 31.36 2yro s MET 27 CO 0.25 -3.41 0.00 0.41 -2.03 0.00 0.00 175.02 170.23 2yro n GLY 28 N -1.23 -0.91 3.77 3.16 0.00 -1.22 -3.60 105.19 105.15 2yro n GLY 28 Ca 0.12 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.53 4.21 0.00 1.61 0.04 -1.26 -2.95 135.00 136.12 2yro s PRO 29 Ca 0.00 1.95 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2yro s PRO 29 Cb 0.00 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.68 2yro s PRO 29 CO 0.00 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.23 2yro n GLY 30 N 0.77 2.93 3.77 0.56 0.00 0.41 -4.99 105.19 108.63 2yro n GLY 30 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.07 4.41 -0.20 1.61 3.00 -1.15 -4.76 118.95 121.79 2yro s ARG 31 Ca 0.00 1.74 0.01 0.00 0.00 0.00 0.00 55.73 57.47 2yro s ARG 31 Cb 0.00 -2.93 0.04 0.00 0.00 0.00 0.00 34.95 32.07 2yro s ARG 31 CO 0.00 0.02 -0.10 0.99 0.00 0.00 0.00 175.30 176.22 2yro s THR 32 N -1.34 1.62 -0.32 0.02 2.01 -0.84 -3.08 115.64 113.71 2yro s THR 32 Ca 0.50 -1.04 -0.08 0.00 0.31 0.00 0.00 61.69 61.39 2yro s THR 32 Cb -0.29 -1.73 0.02 0.00 0.01 0.00 0.00 72.50 70.51 2yro s THR 32 CO 0.37 0.13 0.12 -0.69 -0.69 0.00 0.00 174.62 173.86 2yro s VAL 33 N 1.40 4.10 -0.15 3.82 1.01 -0.65 -1.93 120.40 128.00 2yro s VAL 33 Ca -0.02 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 2yro s VAL 33 Cb -0.17 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2yro s VAL 33 CO -0.08 -0.04 0.10 0.68 0.00 0.00 0.00 175.10 175.77 2yro s VAL 34 N 1.50 5.18 -0.42 2.92 -7.23 0.10 -1.29 120.40 121.16 2yro s VAL 34 Ca 0.02 0.10 -0.06 0.00 -1.81 0.00 0.00 61.98 60.22 2yro s VAL 34 Cb -0.18 -3.30 0.10 0.00 0.56 0.00 0.00 36.38 33.56 2yro s VAL 34 CO 0.04 0.53 0.25 -0.69 -0.31 0.00 0.00 175.10 174.91 2yro s VAL 35 N -0.31 3.75 -0.35 1.32 1.01 -0.06 -1.73 120.40 124.02 2yro s VAL 35 Ca 0.10 -1.79 -0.17 0.00 0.00 0.00 0.00 61.98 60.12 2yro s VAL 35 Cb -0.12 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 2yro s VAL 35 CO 0.01 -0.64 0.44 -0.54 0.00 0.00 0.00 175.10 174.38 2yro s LYS 36 N 1.28 3.57 0.00 2.72 1.02 -0.96 -2.55 119.74 124.82 2yro s LYS 36 Ca 0.05 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 55.74 2yro s LYS 36 Cb -0.24 -3.82 0.00 0.00 -0.52 0.00 0.00 37.83 33.26 2yro s LYS 36 CO -0.02 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.22 2yro n GLY 37 N 4.88 3.07 3.32 -3.33 0.00 -1.23 -1.78 105.19 110.11 2yro n GLY 37 Ca -0.07 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 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 1.14 0.92 -0.01 1.61 2.02 -0.37 -3.44 118.70 120.57 2yro s GLU 38 Ca 0.00 -0.39 -0.05 0.00 0.02 0.00 0.00 54.97 54.54 2yro s GLU 38 Cb 0.00 0.41 -0.04 0.00 0.10 0.00 0.00 34.13 34.60 2yro s GLU 38 CO 0.00 -0.32 0.23 0.08 0.02 0.00 0.00 175.26 175.27 2yro s VAL 39 N -2.56 5.37 0.45 2.63 1.01 -0.97 -0.16 120.40 126.17 2yro s VAL 39 Ca -0.05 0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.80 2yro s VAL 39 Cb -0.01 -3.54 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 2yro s VAL 39 CO -0.03 0.39 1.01 0.20 0.00 0.00 0.00 175.10 176.67 2yro s ASN 40 N -1.69 6.60 0.32 3.32 0.01 -1.20 -1.40 114.94 120.90 2yro s ASN 40 Ca 0.26 1.87 0.01 0.00 -0.71 0.00 0.00 52.86 54.28 2yro s ASN 40 Cb -0.13 -2.56 0.52 0.00 0.41 0.00 0.00 41.25 39.49 2yro s ASN 40 CO 0.15 -0.60 1.92 0.00 -1.51 0.00 0.00 177.10 177.07 2yro h ALA 41 N 1.83 1.38 -0.85 0.60 0.00 -1.92 -2.29 119.26 118.01 2yro h ALA 41 Ca -0.49 -0.12 -0.48 0.00 0.00 0.00 0.00 54.91 53.81 2yro h ALA 41 Cb 1.21 -0.24 -0.27 0.00 0.00 0.00 0.00 17.79 18.49 2yro h ALA 41 CO 0.60 0.48 0.47 0.09 0.00 0.00 0.00 179.25 180.90 2yro n ASN 42 N -4.36 4.39 -4.74 0.00 3.02 -1.26 -4.76 115.26 107.56 2yro n ASN 42 Ca 0.05 -3.70 -0.40 0.00 -0.03 0.00 0.00 54.58 50.51 2yro n ASN 42 Cb 0.13 -0.80 -0.05 0.00 -0.61 0.00 0.00 39.78 38.45 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 -3.42 3.35 -0.12 5.41 0.00 -0.87 -4.97 121.76 121.14 2yro s ALA 43 Ca 0.56 0.26 -0.10 0.00 0.00 0.00 0.00 51.96 52.68 2yro s ALA 43 Cb 0.47 -3.00 -0.26 0.00 0.00 0.00 0.00 23.12 20.33 2yro s ALA 43 CO 0.06 0.02 0.40 1.57 0.00 0.00 0.00 175.76 177.80 2yro h LYS 44 N 5.96 0.25 -1.01 0.00 2.10 -1.90 -3.47 116.57 118.50 2yro h LYS 44 Ca -0.43 -0.43 0.31 0.00 -2.00 0.00 0.00 60.65 58.10 2yro h LYS 44 Cb 1.20 0.16 -0.23 0.00 -0.90 0.00 0.00 32.23 32.46 2yro h LYS 44 CO 0.72 1.20 1.00 -1.54 -2.00 0.00 0.00 179.45 178.83 2yro s SER 45 N -7.06 -0.00 0.40 7.07 1.04 -1.26 -3.55 113.70 110.34 2yro s SER 45 Ca -0.22 0.00 0.04 0.00 0.48 0.00 0.00 55.95 56.25 2yro s SER 45 Cb 0.06 0.00 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 2yro s SER 45 CO 0.76 -0.01 0.12 0.72 0.98 0.00 0.00 173.24 175.81 2yro s PHE 46 N -1.70 1.80 0.01 5.02 -0.71 -1.26 -2.38 117.98 118.76 2yro s PHE 46 Ca 0.11 -1.25 -0.28 0.00 -1.04 0.00 0.00 56.93 54.48 2yro s PHE 46 Cb -0.01 -1.17 0.09 0.00 -1.21 0.00 0.00 43.02 40.71 2yro s PHE 46 CO -0.04 -0.26 0.74 0.54 -1.34 0.00 0.00 175.22 174.86 2yro s ASN 47 N -3.59 -0.53 -0.25 1.98 4.22 0.00 -3.08 114.94 113.70 2yro s ASN 47 Ca 0.25 0.28 -0.02 0.00 -2.14 0.00 0.00 52.86 51.24 2yro s ASN 47 Cb 0.03 0.49 0.08 0.00 1.28 0.00 0.00 41.25 43.13 2yro s ASN 47 CO 0.14 -0.69 0.06 -0.69 -2.04 0.00 0.00 177.10 173.88 2yro s VAL 48 N -2.43 0.77 -0.43 3.54 1.01 -1.02 -1.88 120.40 119.95 2yro s VAL 48 Ca -0.02 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.73 2yro s VAL 48 Cb -0.01 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 35.00 2yro s VAL 48 CO -0.03 -0.42 0.72 -1.81 0.00 0.00 0.00 175.10 173.56 2yro s ASP 49 N 1.71 6.39 -0.41 3.32 1.11 0.38 -3.28 116.67 125.90 2yro s ASP 49 Ca 0.03 -0.14 -0.11 0.00 0.18 0.00 0.00 52.55 52.51 2yro s ASP 49 Cb -0.17 -2.36 0.06 0.00 1.07 0.00 0.00 42.92 41.51 2yro s ASP 49 CO -0.16 -0.83 0.26 -0.22 1.18 0.00 0.00 175.17 175.40 2yro s LEU 50 N 3.06 5.06 0.44 1.23 2.96 -0.78 -1.44 118.68 129.21 2yro s LEU 50 Ca 0.27 -1.25 0.04 0.00 -0.22 0.00 0.00 54.13 52.97 2yro s LEU 50 Cb -0.13 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 2yro s LEU 50 CO 0.20 -0.49 0.03 -1.48 -1.32 0.00 0.00 176.35 173.29 2yro s LEU 51 N 1.52 2.41 -0.05 -0.68 0.05 -1.21 -0.44 118.68 120.28 2yro s LEU 51 Ca 0.03 -1.54 0.00 0.00 0.05 0.00 0.00 54.13 52.67 2yro s LEU 51 Cb -0.22 -0.65 -0.03 0.00 -2.05 0.00 0.00 46.19 43.24 2yro s LEU 51 CO 0.05 -0.72 -0.03 0.00 -0.55 0.00 0.00 176.35 175.11 2yro s ALA 52 N -2.93 3.17 -0.86 1.48 0.00 -0.82 -2.89 121.76 118.92 2yro s ALA 52 Ca 0.21 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2yro s ALA 52 Cb 0.05 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.83 2yro s ALA 52 CO 0.11 0.60 0.56 0.41 0.00 0.00 0.00 175.76 177.43 2yro n GLY 53 N 1.94 1.53 0.14 0.00 0.00 -1.26 -2.15 105.19 105.40 2yro n GLY 53 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 2yro n GLY 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2yro n LYS 54 N 0.08 0.48 -0.49 1.61 0.00 -1.26 -4.76 118.16 113.82 2yro n LYS 54 Ca 0.00 0.19 0.07 0.00 0.00 0.00 0.00 58.31 58.57 2yro n LYS 54 Cb 0.28 -1.34 0.17 0.00 0.00 0.00 0.00 35.03 34.14 2yro n LYS 54 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2yro n SER 55 N -4.33 1.80 -4.35 3.14 7.64 -1.25 -4.98 113.62 111.29 2yro n SER 55 Ca -0.13 -3.44 -0.35 0.00 1.01 0.00 0.00 58.87 55.97 2yro n SER 55 Cb 0.47 -0.47 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 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 -1.07 -1.28 -4.24 1.43 4.76 -0.91 -4.91 118.16 111.94 2yro n LYS 56 Ca 0.16 0.16 -0.34 0.00 -2.87 0.00 0.00 58.31 55.42 2yro n LYS 56 Cb 0.71 -4.19 -0.13 0.00 -1.84 0.00 0.00 35.03 29.58 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 -3.91 4.73 -0.38 4.39 1.01 -1.25 -4.88 116.67 116.38 2yro s ASP 57 Ca 0.35 -0.19 -0.29 0.00 0.71 0.00 0.00 52.55 53.13 2yro s ASP 57 Cb -0.20 -1.79 0.00 0.00 1.01 0.00 0.00 42.92 41.94 2yro s ASP 57 CO 0.99 0.11 1.50 -0.63 0.21 0.00 0.00 175.17 177.35 2yro s ILE 58 N 0.73 3.81 0.05 0.77 1.01 -1.14 -1.94 121.20 124.50 2yro s ILE 58 Ca -0.01 0.84 -0.19 0.00 0.00 0.00 0.00 60.65 61.29 2yro s ILE 58 Cb -0.14 -4.05 -0.14 0.00 0.01 0.00 0.00 42.46 38.13 2yro s ILE 58 CO 0.02 -0.64 1.33 0.00 0.00 0.00 0.00 174.94 175.65 2yro h ALA 59 N 11.09 0.25 -3.18 9.38 0.00 -1.04 -3.20 119.26 132.56 2yro h ALA 59 Ca -0.29 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.07 2yro h ALA 59 Cb 1.12 -0.05 -0.27 0.00 0.00 0.00 0.00 17.79 18.59 2yro h ALA 59 CO 1.07 0.20 -0.48 -1.17 0.00 0.00 0.00 179.25 178.87 2yro s LEU 60 N -8.98 0.99 -0.28 0.00 2.96 -1.05 -3.84 118.68 108.48 2yro s LEU 60 Ca -0.14 0.44 -0.00 0.00 -0.22 0.00 0.00 54.13 54.21 2yro s LEU 60 Cb 0.06 0.70 0.09 0.00 0.50 0.00 0.00 46.19 47.54 2yro s LEU 60 CO 0.78 -0.10 0.06 -2.28 -1.32 0.00 0.00 176.35 173.49 2yro s HIS 61 N 0.43 1.89 -0.40 5.38 5.65 0.11 -1.87 115.29 126.48 2yro s HIS 61 Ca -0.03 -1.71 -0.06 0.00 0.25 0.00 0.00 55.06 53.51 2yro s HIS 61 Cb -0.04 -1.69 0.09 0.00 -1.18 0.00 0.00 32.58 29.75 2yro s HIS 61 CO -0.02 -0.82 0.21 -0.51 -0.65 0.00 0.00 174.74 172.94 2yro s LEU 62 N 1.56 5.01 -0.42 8.88 1.43 -1.20 -1.70 118.68 132.24 2yro s LEU 62 Ca 0.06 -1.65 -0.01 0.00 -1.03 0.00 0.00 54.13 51.49 2yro s LEU 62 Cb -0.18 -1.90 0.11 0.00 0.03 0.00 0.00 46.19 44.26 2yro s LEU 62 CO -0.18 -0.50 0.19 0.21 0.23 0.00 0.00 176.35 176.30 2yro s ASN 63 N 1.92 5.10 1.13 2.29 3.04 -0.90 -2.43 114.94 125.08 2yro s ASN 63 Ca 0.03 -2.19 -0.16 0.00 0.04 0.00 0.00 52.86 50.58 2yro s ASN 63 Cb -0.23 -1.78 0.25 0.00 -1.54 0.00 0.00 41.25 37.96 2yro s ASN 63 CO -0.01 -0.48 1.10 -2.16 -3.04 0.00 0.00 177.10 172.52 2yro s PRO 64 N 0.90 -0.60 -0.10 0.43 0.04 -1.18 -2.68 135.00 131.82 2yro s PRO 64 Ca 0.10 0.16 -0.08 0.00 0.04 0.00 0.00 61.00 61.22 2yro s PRO 64 Cb -0.22 -1.65 0.03 0.00 0.04 0.00 0.00 34.50 32.71 2yro s PRO 64 CO -0.05 -3.35 0.26 1.03 0.04 0.00 0.00 177.00 174.93 2yro s ARG 65 N -5.23 0.27 -0.24 4.56 0.52 0.13 -4.20 118.95 114.76 2yro s ARG 65 Ca 0.69 0.43 0.07 0.00 -0.52 0.00 0.00 55.73 56.39 2yro s ARG 65 Cb -0.13 0.05 -0.19 0.00 0.52 0.00 0.00 34.95 35.19 2yro s ARG 65 CO 0.57 -0.08 -0.13 1.28 0.02 0.00 0.00 175.30 176.96 2yro n LEU 66 N 3.41 2.00 -0.06 2.53 4.77 -1.23 -2.33 117.00 126.09 2yro n LEU 66 Ca -0.17 -0.09 -0.04 0.00 -0.03 0.00 0.00 56.01 55.67 2yro n LEU 66 Cb 0.56 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2yro n LEU 66 CO 0.16 0.79 0.50 -1.13 -1.33 0.00 0.00 177.39 176.38 2yro h ASN 67 N 0.00 -0.60 -0.37 -1.43 -1.24 -1.94 -2.56 115.58 107.44 2yro h ASN 67 Ca -0.57 0.08 0.00 0.00 0.71 0.00 0.00 56.30 56.53 2yro h ASN 67 Cb 2.01 0.25 0.00 0.00 0.73 0.00 0.00 38.32 41.31 2yro h ASN 67 CO -0.05 -0.11 0.00 2.30 -1.29 0.00 0.00 177.43 178.28 2yro n ILE 68 N -3.57 0.49 -3.51 2.57 -0.00 -1.26 -4.97 119.36 109.12 2yro n ILE 68 Ca -0.01 -0.75 -0.18 0.00 -0.00 0.00 0.00 62.75 61.81 2yro n ILE 68 Cb 0.10 1.00 0.07 0.00 -0.00 0.00 0.00 39.64 40.81 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 1.47 -5.92 -4.98 6.28 4.76 -0.97 -5.00 118.16 113.79 2yro n LYS 69 Ca 0.19 0.78 -0.32 0.00 -2.87 0.00 0.00 58.31 56.08 2yro n LYS 69 Cb 0.60 -5.64 -0.15 0.00 -1.84 0.00 0.00 35.03 27.99 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 -3.46 2.42 -0.39 7.82 0.00 -0.98 -4.79 121.76 122.38 2yro s ALA 70 Ca 0.02 -0.94 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 2yro s ALA 70 Cb -0.00 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 22.12 2yro s ALA 70 CO 0.76 0.30 0.27 0.12 0.00 0.00 0.00 175.76 177.21 2yro s PHE 71 N 0.23 3.24 0.05 0.00 2.19 -1.26 -0.69 117.98 121.73 2yro s PHE 71 Ca -0.12 -0.57 -0.13 0.00 0.33 0.00 0.00 56.93 56.44 2yro s PHE 71 Cb -0.16 -2.54 -0.06 0.00 -1.31 0.00 0.00 43.02 38.95 2yro s PHE 71 CO 0.06 -0.55 0.43 0.08 1.83 0.00 0.00 175.22 177.07 2yro s VAL 72 N 1.67 5.02 -0.15 3.12 1.01 -1.09 -3.02 120.40 126.96 2yro s VAL 72 Ca 0.05 0.71 -0.04 0.00 0.00 0.00 0.00 61.98 62.70 2yro s VAL 72 Cb -0.19 -3.70 0.07 0.00 0.00 0.00 0.00 36.38 32.57 2yro s VAL 72 CO 0.09 0.44 0.19 0.00 0.00 0.00 0.00 175.10 175.83 2yro s ARG 73 N -1.48 0.12 0.28 2.72 1.70 -0.58 -2.13 118.95 119.60 2yro s ARG 73 Ca 0.29 0.37 -0.02 0.00 -0.47 0.00 0.00 55.73 55.89 2yro s ARG 73 Cb -0.16 -0.80 0.01 0.00 -0.57 0.00 0.00 34.95 33.44 2yro s ARG 73 CO 0.16 -0.49 0.41 -1.71 -1.08 0.00 0.00 175.30 172.59 2yro n ASN 74 N 5.32 -1.16 -3.99 -2.89 5.15 -0.69 -3.15 115.26 113.85 2yro n ASN 74 Ca -0.05 -2.49 -0.08 0.00 -0.60 0.00 0.00 54.58 51.35 2yro n ASN 74 Cb 0.50 2.13 -0.09 0.00 -0.53 0.00 0.00 39.78 41.79 2yro n ASN 74 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2yro s SER 75 N -2.73 0.32 -0.30 1.20 1.04 -1.26 -0.72 113.70 111.25 2yro s SER 75 Ca 0.22 -0.78 0.01 0.00 0.48 0.00 0.00 55.95 55.88 2yro s SER 75 Cb -0.01 0.23 0.09 0.00 0.10 0.00 0.00 66.02 66.43 2yro s SER 75 CO 0.16 -0.59 0.04 0.12 0.98 0.00 0.00 173.24 173.96 2yro s PHE 76 N -3.43 2.49 0.01 5.02 5.36 -1.21 -3.02 117.98 123.21 2yro s PHE 76 Ca 0.02 -2.10 0.07 0.00 -0.96 0.00 0.00 56.93 53.96 2yro s PHE 76 Cb 0.04 -2.03 -0.02 0.00 -0.34 0.00 0.00 43.02 40.67 2yro s PHE 76 CO -0.08 -0.87 -0.22 -0.51 -1.46 0.00 0.00 175.22 172.08 2yro s LEU 77 N 1.35 2.11 -1.44 6.12 1.43 -0.85 -2.87 118.68 124.53 2yro s LEU 77 Ca 0.06 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.60 2yro s LEU 77 Cb -0.18 -1.11 0.05 0.00 0.03 0.00 0.00 46.19 44.97 2yro s LEU 77 CO -0.15 0.23 0.91 0.00 0.23 0.00 0.00 176.35 177.58 2yro n GLN 78 N 2.17 -5.57 -3.98 1.70 6.02 -1.26 -1.17 117.38 115.29 2yro n GLN 78 Ca -0.16 0.63 -0.32 0.00 -0.01 0.00 0.00 57.00 57.14 2yro n GLN 78 Cb 0.53 -5.43 0.00 0.00 1.02 0.00 0.00 30.24 26.36 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 -4.58 -4.39 -3.78 -1.09 1.02 -1.26 -4.95 120.64 101.61 2yro n GLU 79 Ca -0.08 0.50 -0.13 0.00 -0.02 0.00 0.00 57.16 57.43 2yro n GLU 79 Cb 0.58 -5.32 -0.14 0.00 -0.02 0.00 0.00 31.44 26.55 2yro n GLU 79 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2yro s SER 80 N -3.23 -0.13 -0.07 1.62 1.04 -0.32 -5.15 113.70 107.47 2yro s SER 80 Ca 0.68 0.30 -0.18 0.00 0.48 0.00 0.00 55.95 57.24 2yro s SER 80 Cb -0.35 0.24 -0.05 0.00 0.10 0.00 0.00 66.02 65.96 2yro s SER 80 CO 0.83 -0.11 0.47 0.26 0.98 0.00 0.00 173.24 175.68 2yro s TRP 81 N 0.72 3.59 0.00 5.02 0.52 -1.26 -2.00 118.94 125.54 2yro s TRP 81 Ca -0.05 0.96 0.00 0.00 0.02 0.00 0.00 56.10 57.02 2yro s TRP 81 Cb -0.07 -2.49 0.00 0.00 -1.15 0.00 0.00 33.47 29.76 2yro s TRP 81 CO -0.04 0.32 0.00 0.41 0.02 0.00 0.00 176.95 177.66 2yro n GLY 82 N 2.78 -0.68 3.04 0.98 0.00 -1.17 -4.94 105.19 105.21 2yro n GLY 82 Ca -0.09 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 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 2.33 -0.03 1.61 2.12 -1.26 -5.04 118.70 118.42 2yro s GLU 83 Ca 0.00 -2.55 -0.37 0.00 0.36 0.00 0.00 54.97 52.41 2yro s GLU 83 Cb 0.00 -3.57 -0.16 0.00 0.26 0.00 0.00 34.13 30.66 2yro s GLU 83 CO 0.00 -1.14 1.52 0.39 -0.54 0.00 0.00 175.26 175.49 2yro n GLU 84 N 3.37 1.29 -4.07 4.30 1.02 -1.26 -4.91 120.64 120.38 2yro n GLU 84 Ca 0.07 0.47 -0.29 0.00 -0.02 0.00 0.00 57.16 57.38 2yro n GLU 84 Cb 0.36 -2.15 -0.17 0.00 -0.02 0.00 0.00 31.44 29.47 2yro n GLU 84 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2yro s GLU 85 N 1.71 2.13 -0.13 3.49 0.41 -1.19 -4.99 118.70 120.13 2yro s GLU 85 Ca 0.89 -0.50 -0.00 0.00 -0.41 0.00 0.00 54.97 54.95 2yro s GLU 85 Cb -0.95 -1.97 0.03 0.00 -1.78 0.00 0.00 34.13 29.46 2yro s GLU 85 CO 0.52 -0.21 -0.07 -0.98 -0.49 0.00 0.00 175.26 174.03 2yro s ARG 86 N 1.45 1.49 -0.30 1.61 1.70 -1.26 -1.52 118.95 122.12 2yro s ARG 86 Ca 0.03 -0.34 -0.17 0.00 -0.47 0.00 0.00 55.73 54.78 2yro s ARG 86 Cb -0.13 -1.73 0.18 0.00 -0.57 0.00 0.00 34.95 32.69 2yro s ARG 86 CO -0.09 -0.32 1.13 -0.80 -1.08 0.00 0.00 175.30 174.13 2yro s ASN 87 N 1.68 -0.32 0.01 -2.89 0.01 -1.17 -4.87 114.94 107.40 2yro s ASN 87 Ca 0.04 0.46 -0.10 0.00 -0.71 0.00 0.00 52.86 52.54 2yro s ASN 87 Cb -0.13 1.28 0.01 0.00 0.41 0.00 0.00 41.25 42.81 2yro s ASN 87 CO -0.08 -0.07 0.20 -0.51 -1.51 0.00 0.00 177.10 175.13 2yro s ILE 88 N 1.85 0.09 -0.14 0.60 2.07 -1.26 -4.81 121.20 119.59 2yro s ILE 88 Ca -0.04 -0.71 -0.10 0.00 -1.41 0.00 0.00 60.65 58.38 2yro s ILE 88 Cb -0.03 -0.66 -0.25 0.00 0.13 0.00 0.00 42.46 41.65 2yro s ILE 88 CO -0.15 -0.39 0.33 0.41 -1.91 0.00 0.00 174.94 173.23 2yro n THR 89 N 1.11 1.73 -4.04 4.00 -1.04 -1.26 -4.88 114.28 109.91 2yro n THR 89 Ca -0.21 -0.52 -0.27 0.00 -2.04 0.00 0.00 64.05 61.02 2yro n THR 89 Cb 0.57 -1.81 -0.17 0.00 -1.82 0.00 0.00 70.33 67.10 2yro n THR 89 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2yro s SER 90 N -7.01 2.18 -0.50 8.00 0.15 -1.26 -5.10 113.70 110.16 2yro s SER 90 Ca -0.24 -0.33 -0.16 0.00 0.70 0.00 0.00 55.95 55.92 2yro s SER 90 Cb 0.06 -0.89 0.09 0.00 -1.71 0.00 0.00 66.02 63.58 2yro s SER 90 CO 0.73 -0.08 0.47 0.12 1.20 0.00 0.00 173.24 175.68 2yro s PHE 91 N 1.50 3.21 -0.01 3.44 5.36 -1.26 -4.94 117.98 125.28 2yro s PHE 91 Ca 0.02 -1.01 -0.25 0.00 -0.96 0.00 0.00 56.93 54.73 2yro s PHE 91 Cb -0.13 -3.46 -0.19 0.00 -0.34 0.00 0.00 43.02 38.90 2yro s PHE 91 CO -0.07 -0.92 1.28 -1.00 -1.46 0.00 0.00 175.22 173.05 2yro h PRO 92 N 8.85 0.06 -5.63 10.12 0.13 -1.97 -3.45 132.00 140.11 2yro h PRO 92 Ca -0.29 -0.03 -0.73 0.00 -0.87 0.00 0.00 66.00 64.07 2yro h PRO 92 Cb 1.10 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.29 2yro h PRO 92 CO 0.95 0.53 0.02 1.19 -0.23 0.00 0.00 178.00 180.46 2yro n PHE 93 N -4.80 0.52 -3.85 1.56 3.72 -1.26 -4.96 117.46 108.40 2yro n PHE 93 Ca -0.08 0.99 -0.12 0.00 -0.05 0.00 0.00 57.45 58.19 2yro n PHE 93 Cb 0.27 -1.95 -0.11 0.00 -0.94 0.00 0.00 39.48 36.74 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 -0.07 -0.06 -0.46 4.37 0.15 -1.26 -5.00 113.70 111.36 2yro s SER 94 Ca 0.84 0.06 -0.28 0.00 0.70 0.00 0.00 55.95 57.27 2yro s SER 94 Cb -1.17 0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 63.38 2yro s SER 94 CO 0.53 -0.19 1.77 -2.16 1.20 0.00 0.00 173.24 174.39 2yro s PRO 95 N -0.59 3.07 0.00 5.44 0.04 -1.26 -2.93 135.00 138.77 2yro s PRO 95 Ca -0.07 1.01 0.00 0.00 0.04 0.00 0.00 61.00 61.98 2yro s PRO 95 Cb -0.04 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.25 2yro s PRO 95 CO 0.01 -2.19 0.00 0.41 0.04 0.00 0.00 177.00 175.27 2yro n GLY 96 N 5.49 1.09 3.10 0.56 0.00 -0.49 -4.55 105.19 110.40 2yro n GLY 96 Ca 0.21 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.17 0.64 -0.04 1.61 0.23 -1.15 -4.94 119.30 114.48 2yro s MET 97 Ca 0.00 -1.19 -0.24 0.00 -1.03 0.00 0.00 55.69 53.23 2yro s MET 97 Cb 0.00 0.23 -0.04 0.00 -1.53 0.00 0.00 34.83 33.48 2yro s MET 97 CO 0.00 -0.13 0.71 -0.47 -2.03 0.00 0.00 175.02 173.10 2yro s TYR 98 N -3.91 3.61 -0.02 3.16 6.14 -1.26 -2.29 117.35 122.78 2yro s TYR 98 Ca 0.07 1.29 0.01 0.00 0.64 0.00 0.00 57.07 59.08 2yro s TYR 98 Cb 0.08 -2.80 0.01 0.00 0.42 0.00 0.00 41.96 39.67 2yro s TYR 98 CO -0.10 0.14 -0.03 -0.59 0.64 0.00 0.00 175.55 175.61 2yro s PHE 99 N 0.57 0.45 -0.17 4.97 -0.12 -1.22 -4.60 117.98 117.86 2yro s PHE 99 Ca 0.37 -0.08 0.01 0.00 -0.05 0.00 0.00 56.93 57.19 2yro s PHE 99 Cb -0.18 -0.40 0.02 0.00 -0.63 0.00 0.00 43.02 41.82 2yro s PHE 99 CO 0.19 -0.09 -0.20 -2.00 -0.05 0.00 0.00 175.22 173.07 2yro s GLU 100 N 0.49 3.00 -0.33 1.99 2.12 -1.26 -3.54 118.70 121.17 2yro s GLU 100 Ca -0.05 -0.83 -0.14 0.00 0.36 0.00 0.00 54.97 54.31 2yro s GLU 100 Cb -0.09 -2.56 -0.02 0.00 0.26 0.00 0.00 34.13 31.73 2yro s GLU 100 CO -0.01 -0.18 0.31 1.41 -0.54 0.00 0.00 175.26 176.26 2yro s MET 101 N 1.22 3.61 -0.55 4.30 -2.45 -1.06 -1.82 119.30 122.56 2yro s MET 101 Ca 0.03 -0.44 -0.12 0.00 -1.25 0.00 0.00 55.69 53.90 2yro s MET 101 Cb -0.13 -3.78 0.14 0.00 1.25 0.00 0.00 34.83 32.30 2yro s MET 101 CO -0.11 -0.45 0.47 0.42 1.05 0.00 0.00 175.02 176.40 2yro s ILE 102 N 1.91 4.80 -0.55 10.11 1.09 -0.76 -0.88 121.20 136.92 2yro s ILE 102 Ca 0.10 -1.80 -0.22 0.00 -1.10 0.00 0.00 60.65 57.63 2yro s ILE 102 Cb -0.17 -4.10 0.05 0.00 -1.06 0.00 0.00 42.46 37.19 2yro s ILE 102 CO 0.11 -0.85 0.81 -0.63 -0.10 0.00 0.00 174.94 174.28 2yro s ILE 103 N 1.25 4.58 -0.09 2.92 1.01 -0.41 -3.47 121.20 126.99 2yro s ILE 103 Ca 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 60.65 60.57 2yro s ILE 103 Cb -0.26 -4.46 -0.03 0.00 0.01 0.00 0.00 42.46 37.72 2yro s ILE 103 CO -0.00 -1.04 -0.06 -0.47 0.00 0.00 0.00 174.94 173.37 2yro s TYR 104 N 3.41 2.98 -0.30 3.97 5.04 -1.24 -1.63 117.35 129.57 2yro s TYR 104 Ca 0.23 -0.02 -0.07 0.00 -2.44 0.00 0.00 57.07 54.77 2yro s TYR 104 Cb -0.16 -1.77 0.02 0.00 0.35 0.00 0.00 41.96 40.40 2yro s TYR 104 CO 0.15 0.28 0.08 0.00 -1.34 0.00 0.00 175.55 174.72 2yro n ASP 106 N 4.85 4.92 -1.95 0.00 -0.08 -1.26 -0.45 116.55 122.59 2yro n ASP 106 Ca -0.14 -3.08 -0.16 0.00 -1.51 0.00 0.00 54.79 49.90 2yro n ASP 106 Cb 0.47 -0.67 -0.04 0.00 2.34 0.00 0.00 41.12 43.22 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 0.05 -0.39 0.00 5.18 0.31 -1.26 -4.67 118.33 117.55 2yro n VAL 107 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 2yro n VAL 107 Cb 1.18 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 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 -2.49 0.67 -3.67 5.55 5.12 -1.26 -5.08 116.66 115.50 2yro n ARG 108 Ca -0.18 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.74 2yro n ARG 108 Cb 0.59 -0.63 -0.01 0.00 -1.16 0.00 0.00 32.46 31.26 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 0.70 -0.50 5.56 -1.05 -1.26 -3.59 118.70 117.31 2yro s GLU 109 Ca 0.00 -0.38 -0.18 0.00 -0.15 0.00 0.00 54.97 54.25 2yro s GLU 109 Cb 0.00 0.24 0.06 0.00 -0.44 0.00 0.00 34.13 33.99 2yro s GLU 109 CO 0.00 -0.32 0.57 -0.06 0.95 0.00 0.00 175.26 176.40 2yro s PHE 110 N -2.76 3.09 0.34 4.83 0.08 0.12 -3.99 117.98 119.70 2yro s PHE 110 Ca 0.13 -0.61 -0.08 0.00 0.12 0.00 0.00 56.93 56.50 2yro s PHE 110 Cb 0.02 -3.44 -0.06 0.00 -0.57 0.00 0.00 43.02 38.98 2yro s PHE 110 CO -0.02 -0.97 0.65 0.15 -0.10 0.00 0.00 175.22 174.94 2yro s LYS 111 N 2.41 3.70 -0.24 0.44 1.02 -1.20 -3.15 119.74 122.72 2yro s LYS 111 Ca 0.13 0.22 -0.05 0.00 0.02 0.00 0.00 55.97 56.29 2yro s LYS 111 Cb -0.20 -2.53 0.13 0.00 -0.52 0.00 0.00 37.83 34.71 2yro s LYS 111 CO 0.11 0.10 0.46 0.54 -0.92 0.00 0.00 175.35 175.64 2yro s VAL 112 N -2.22 -0.74 -0.06 3.17 0.11 -1.26 -3.66 120.40 115.75 2yro s VAL 112 Ca 0.47 0.04 0.05 0.00 -2.93 0.00 0.00 61.98 59.61 2yro s VAL 112 Cb -0.10 -0.81 -0.00 0.00 -1.53 0.00 0.00 36.38 33.93 2yro s VAL 112 CO 0.30 -0.02 -0.20 0.00 -3.33 0.00 0.00 175.10 171.86 2yro s ALA 113 N 2.67 1.79 -0.32 1.54 0.00 -1.23 -2.22 121.76 123.99 2yro s ALA 113 Ca 0.07 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.12 2yro s ALA 113 Cb -0.14 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.39 2yro s ALA 113 CO -0.16 0.31 0.13 0.08 0.00 0.00 0.00 175.76 176.12 2yro s VAL 114 N 0.05 4.30 -1.02 0.00 1.01 -1.19 -1.84 120.40 121.70 2yro s VAL 114 Ca -0.06 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 2yro s VAL 114 Cb -0.13 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 33.00 2yro s VAL 114 CO 0.03 0.00 0.89 0.59 0.00 0.00 0.00 175.10 176.62 2yro n ASN 115 N 4.93 -5.09 -1.65 3.32 4.13 -0.75 -2.47 115.26 117.67 2yro n ASN 115 Ca -0.14 -0.41 -0.14 0.00 1.68 0.00 0.00 54.58 55.57 2yro n ASN 115 Cb 0.48 -3.95 -0.01 0.00 -1.54 0.00 0.00 39.78 34.76 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 -1.61 -0.22 2.55 7.41 0.00 -1.26 -4.97 105.19 107.09 2yro n GLY 116 Ca -0.01 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.72 1.01 -0.43 1.61 1.01 -1.03 -5.09 120.40 114.76 2yro s VAL 117 Ca 0.01 -2.90 -0.41 0.00 0.00 0.00 0.00 61.98 58.67 2yro s VAL 117 Cb -0.00 -1.69 -0.18 0.00 0.00 0.00 0.00 36.38 34.51 2yro s VAL 117 CO 0.01 -1.12 1.40 1.57 0.00 0.00 0.00 175.10 176.96 2yro n HIS 118 N 2.86 1.52 -0.03 5.22 -0.00 -1.26 -3.18 115.22 120.35 2yro n HIS 118 Ca 0.23 1.01 -0.01 0.00 0.46 0.00 0.00 57.72 59.42 2yro n HIS 118 Cb 0.42 -1.97 -0.00 0.00 -0.12 0.00 0.00 29.99 28.32 2yro n HIS 118 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 2yro h SER 119 N 4.36 0.00 -4.01 0.26 0.02 -1.81 -3.47 113.55 108.90 2yro h SER 119 Ca -0.39 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.23 2yro h SER 119 Cb 1.21 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.67 2yro h SER 119 CO 0.86 0.29 -0.28 0.00 -1.14 0.00 0.00 176.83 176.55 2yro n LEU 120 N -3.32 0.00 -3.88 5.07 -0.00 -1.25 -4.92 117.00 108.70 2yro n LEU 120 Ca -0.02 -2.44 -0.13 0.00 -0.00 0.00 0.00 56.01 53.43 2yro n LEU 120 Cb 0.06 1.58 -0.14 0.00 -0.00 0.00 0.00 43.42 44.92 2yro n LEU 120 CO 0.02 -0.46 -0.37 -1.61 -0.00 0.00 0.00 177.39 174.98 2yro s GLU 121 N -2.93 0.06 -0.05 1.47 2.02 -1.26 -4.02 118.70 113.98 2yro s GLU 121 Ca 0.29 -0.02 -0.02 0.00 0.02 0.00 0.00 54.97 55.23 2yro s GLU 121 Cb 0.01 -0.06 0.04 0.00 0.10 0.00 0.00 34.13 34.21 2yro s GLU 121 CO 0.20 0.01 0.10 -0.47 0.02 0.00 0.00 175.26 175.13 2yro s TYR 122 N 0.00 -0.07 0.95 1.61 5.04 -1.19 -5.05 117.35 118.65 2yro s TYR 122 Ca 0.00 0.39 -0.13 0.00 -2.44 0.00 0.00 57.07 54.89 2yro s TYR 122 Cb -0.01 -0.27 0.02 0.00 0.35 0.00 0.00 41.96 42.05 2yro s TYR 122 CO -0.00 -0.19 0.29 1.63 -1.34 0.00 0.00 175.55 175.94 2yro n LYS 123 N 4.80 -0.26 -1.73 4.97 4.76 -1.26 0.15 118.16 129.59 2yro n LYS 123 Ca -0.15 -0.04 -0.18 0.00 -2.87 0.00 0.00 58.31 55.08 2yro n LYS 123 Cb 0.50 -1.77 -0.07 0.00 -1.84 0.00 0.00 35.03 31.85 2yro n LYS 123 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2yro s HIS 124 N -2.35 1.37 0.22 2.13 3.76 -1.24 -4.23 115.29 114.95 2yro s HIS 124 Ca 0.55 1.59 -0.08 0.00 -0.15 0.00 0.00 55.06 56.97 2yro s HIS 124 Cb -0.21 -3.62 0.30 0.00 1.11 0.00 0.00 32.58 30.17 2yro s HIS 124 CO 0.69 -1.49 1.76 0.00 -0.85 0.00 0.00 174.74 174.85 2yro h ARG 125 N 12.02 0.49 -6.41 1.40 2.47 -1.84 -3.41 114.38 119.11 2yro h ARG 125 Ca 0.04 -0.03 -0.54 0.00 -1.26 0.00 0.00 59.98 58.19 2yro h ARG 125 Cb 1.00 -0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 29.17 2yro h ARG 125 CO 1.07 0.33 0.07 0.12 0.56 0.00 0.00 179.97 182.12 2yro s PHE 126 N -6.08 3.82 -0.08 3.04 5.36 -1.25 -5.01 117.98 117.78 2yro s PHE 126 Ca -0.13 1.43 -0.04 0.00 -0.96 0.00 0.00 56.93 57.23 2yro s PHE 126 Cb 0.17 -2.62 -0.02 0.00 -0.34 0.00 0.00 43.02 40.21 2yro s PHE 126 CO 0.75 0.51 0.18 0.87 -1.46 0.00 0.00 175.22 176.08 2yro h LYS 127 N 4.23 -0.15 -6.36 10.12 1.79 -1.97 -3.42 116.57 120.82 2yro h LYS 127 Ca -0.48 0.01 -0.54 0.00 -2.18 0.00 0.00 60.65 57.46 2yro h LYS 127 Cb 1.21 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.83 2yro h LYS 127 CO 0.65 -0.10 1.11 -2.00 -1.08 0.00 0.00 179.45 178.03 2yro s GLU 128 N -2.03 3.21 0.22 3.15 2.56 -1.26 -4.84 118.70 119.72 2yro s GLU 128 Ca -0.02 0.31 0.13 0.00 0.00 0.00 0.00 54.97 55.39 2yro s GLU 128 Cb 0.00 -4.16 -0.02 0.00 2.00 0.00 0.00 34.13 31.95 2yro s GLU 128 CO 0.07 -2.06 1.37 -0.07 -0.56 0.00 0.00 175.26 174.01 2yro h LEU 129 N 13.39 0.00 -2.09 2.70 3.38 -1.89 -3.23 115.31 127.56 2yro h LEU 129 Ca -0.27 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 2yro h LEU 129 Cb 1.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 2yro h LEU 129 CO 1.20 0.64 0.09 -1.54 0.09 0.00 0.00 178.44 178.93 2yro n SER 130 N -3.24 2.72 -0.05 -0.43 3.41 -1.24 -3.42 113.62 111.38 2yro n SER 130 Ca 0.01 -2.29 -0.06 0.00 -0.26 0.00 0.00 58.87 56.26 2yro n SER 130 Cb 0.80 -0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 64.14 2yro n SER 130 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yro n SER 131 N 0.14 3.21 -4.51 4.04 7.64 -1.22 -4.79 113.62 118.13 2yro n SER 131 Ca 0.10 -0.04 -0.41 0.00 1.01 0.00 0.00 58.87 59.53 2yro n SER 131 Cb 0.64 0.05 -0.07 0.00 -1.01 0.00 0.00 64.21 63.82 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 -2.67 0.03 -0.00 0.44 5.41 -1.23 -4.14 119.36 117.19 2yro n ILE 132 Ca -0.16 -0.44 -0.00 0.00 1.00 0.00 0.00 62.75 63.15 2yro n ILE 132 Cb 0.70 -1.90 -0.00 0.00 -0.71 0.00 0.00 39.64 37.73 2yro n ILE 132 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2yro n ASP 133 N 12.78 4.45 -4.86 4.38 -0.08 -1.25 -0.40 116.55 131.58 2yro n ASP 133 Ca 0.45 -0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 53.38 2yro n ASP 133 Cb 0.33 0.23 -0.06 0.00 2.34 0.00 0.00 41.12 43.96 2yro n ASP 133 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2yro s THR 134 N -2.00 4.96 -0.21 5.18 2.01 -1.14 -0.23 115.64 124.20 2yro s THR 134 Ca -0.00 0.65 -0.03 0.00 0.31 0.00 0.00 61.69 62.63 2yro s THR 134 Cb 0.00 -3.69 0.07 0.00 0.01 0.00 0.00 72.50 68.89 2yro s THR 134 CO 0.00 0.24 0.05 -0.22 -0.69 0.00 0.00 174.62 174.00 2yro s LEU 135 N -2.00 1.24 -0.15 4.42 2.96 -0.78 -3.34 118.68 121.04 2yro s LEU 135 Ca 0.36 -0.95 -0.04 0.00 -0.22 0.00 0.00 54.13 53.29 2yro s LEU 135 Cb -0.14 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.92 2yro s LEU 135 CO 0.19 -0.33 -0.02 -1.61 -1.32 0.00 0.00 176.35 173.26 2yro s GLU 136 N 1.85 3.59 -0.01 1.98 2.02 -0.52 -2.78 118.70 124.83 2yro s GLU 136 Ca 0.01 -0.48 0.03 0.00 0.02 0.00 0.00 54.97 54.55 2yro s GLU 136 Cb -0.17 -2.93 -0.01 0.00 0.10 0.00 0.00 34.13 31.13 2yro s GLU 136 CO -0.12 0.33 -0.10 0.42 0.02 0.00 0.00 175.26 175.81 2yro s ILE 137 N 0.14 0.84 0.11 -1.63 1.01 -0.31 -0.47 121.20 120.90 2yro s ILE 137 Ca -0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 2yro s ILE 137 Cb -0.13 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.63 2yro s ILE 137 CO 0.02 0.24 0.25 0.21 0.00 0.00 0.00 174.94 175.67 2yro s ASN 138 N -0.15 0.04 0.00 3.58 3.84 -0.79 -0.26 114.94 121.20 2yro s ASN 138 Ca 0.02 -0.65 0.00 0.00 0.21 0.00 0.00 52.86 52.45 2yro s ASN 138 Cb -0.05 0.39 0.00 0.00 -0.55 0.00 0.00 41.25 41.04 2yro s ASN 138 CO -0.00 -0.79 0.00 0.61 -2.79 0.00 0.00 177.10 174.12 2yro n GLY 139 N -0.13 0.84 2.30 1.21 0.00 -1.26 -0.82 105.19 107.34 2yro n GLY 139 Ca -0.13 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 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 2.20 7.57 -4.68 1.61 9.92 -1.00 -4.95 116.55 127.22 2yro n ASP 140 Ca 0.00 -3.75 -0.29 0.00 -0.53 0.00 0.00 54.79 50.22 2yro n ASP 140 Cb 0.00 -0.98 -0.10 0.00 -0.64 0.00 0.00 41.12 39.40 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 -4.66 1.73 -0.24 0.53 -5.25 -1.26 -3.27 121.20 108.78 2yro s ILE 141 Ca 0.63 -1.98 0.02 0.00 -0.99 0.00 0.00 60.65 58.33 2yro s ILE 141 Cb 0.50 -2.71 0.05 0.00 2.95 0.00 0.00 42.46 43.24 2yro s ILE 141 CO -0.01 0.00 -0.13 -2.28 -1.79 0.00 0.00 174.94 170.73 2yro s HIS 142 N -2.76 3.12 -0.56 1.37 5.65 0.77 -4.89 115.29 117.98 2yro s HIS 142 Ca 0.26 -2.10 -0.25 0.00 0.25 0.00 0.00 55.06 53.21 2yro s HIS 142 Cb 0.07 -1.93 0.04 0.00 -1.18 0.00 0.00 32.58 29.58 2yro s HIS 142 CO 0.13 -0.85 0.99 -1.17 -0.65 0.00 0.00 174.74 173.19 2yro s LEU 143 N 1.16 3.99 -0.03 8.88 2.96 -1.26 -1.24 118.68 133.14 2yro s LEU 143 Ca -0.05 -0.30 -0.20 0.00 -0.22 0.00 0.00 54.13 53.36 2yro s LEU 143 Cb -0.18 -2.87 -0.13 0.00 0.50 0.00 0.00 46.19 43.52 2yro s LEU 143 CO -0.07 -1.29 0.88 -0.07 -1.32 0.00 0.00 176.35 174.48 2yro h LEU 144 N 11.18 -0.41 -7.00 -0.68 3.38 -1.67 0.19 115.31 120.31 2yro h LEU 144 Ca -0.26 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.66 2yro h LEU 144 Cb 1.07 0.11 -0.25 0.00 0.09 0.00 0.00 40.66 41.67 2yro h LEU 144 CO 1.11 0.04 0.51 -0.70 0.09 0.00 0.00 178.44 179.49 2yro s GLU 145 N -3.79 0.52 -0.21 1.13 2.12 -0.79 -3.35 118.70 114.32 2yro s GLU 145 Ca -0.11 0.41 -0.05 0.00 0.36 0.00 0.00 54.97 55.58 2yro s GLU 145 Cb 0.01 0.25 -0.02 0.00 0.26 0.00 0.00 34.13 34.63 2yro s GLU 145 CO 0.39 -0.10 -0.01 0.54 -0.54 0.00 0.00 175.26 175.54 2yro s VAL 146 N -0.26 3.79 -0.02 3.70 0.11 -1.26 -2.26 120.40 124.20 2yro s VAL 146 Ca 0.02 -0.36 0.02 0.00 -2.93 0.00 0.00 61.98 58.73 2yro s VAL 146 Cb -0.03 -2.73 -0.03 0.00 -1.53 0.00 0.00 36.38 32.06 2yro s VAL 146 CO -0.04 0.41 -0.06 -0.60 -3.33 0.00 0.00 175.10 171.48 2yro s ARG 147 N 1.27 2.64 -0.07 1.54 6.06 -0.71 -4.98 118.95 124.70 2yro s ARG 147 Ca 0.04 -0.65 -0.03 0.00 -2.50 0.00 0.00 55.73 52.59 2yro s ARG 147 Cb -0.15 -2.54 0.04 0.00 0.06 0.00 0.00 34.95 32.36 2yro s ARG 147 CO 0.00 0.63 0.14 0.45 -2.50 0.00 0.00 175.30 174.02 2yro s SER 148 N -1.19 0.18 -0.01 -2.12 0.15 -1.26 0.03 113.70 109.47 2yro s SER 148 Ca 0.15 0.29 0.03 0.00 0.70 0.00 0.00 55.95 57.12 2yro s SER 148 Cb -0.11 0.19 -0.01 0.00 -1.71 0.00 0.00 66.02 64.38 2yro s SER 148 CO 0.05 -0.18 -0.10 -1.66 1.20 0.00 0.00 173.24 172.56 2yro s TRP 149 N 1.51 0.92 -0.23 3.44 -2.14 -0.81 -4.98 118.94 116.65 2yro s TRP 149 Ca -0.05 -0.19 -0.17 0.00 2.66 0.00 0.00 56.10 58.35 2yro s TRP 149 Cb -0.12 -0.61 -0.13 0.00 -3.10 0.00 0.00 33.47 29.51 2yro s TRP 149 CO -0.06 -0.03 -0.13 -1.13 -2.66 0.00 0.00 176.95 172.94 2yro n SER 150 N 2.93 1.91 0.00 -2.66 3.41 -1.26 -1.98 113.62 115.96 2yro n SER 150 Ca -0.15 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2yro n SER 150 Cb 0.56 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2yro n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yro n GLY 151 N 1.37 2.91 3.68 5.00 0.00 -1.26 -4.59 105.19 112.30 2yro n GLY 151 Ca -0.38 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 4.25 0.10 1.61 0.04 -1.26 -4.92 135.00 134.82 2yro s PRO 152 Ca 0.00 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.86 2yro s PRO 152 Cb 0.00 -3.69 -0.05 0.00 0.04 0.00 0.00 34.50 30.81 2yro s PRO 152 CO 0.00 -0.67 1.06 0.45 0.04 0.00 0.00 177.00 177.88 2yro n SER 153 N 5.92 -0.68 -3.65 6.66 2.88 -1.26 -4.67 113.62 118.82 2yro n SER 153 Ca 0.14 1.21 -0.02 0.00 -1.33 0.00 0.00 58.87 58.87 2yro n SER 153 Cb 0.43 -0.18 -0.07 0.00 -0.75 0.00 0.00 64.21 63.65 2yro n SER 153 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yro s SER 154 N -5.14 -0.24 0.00 -3.46 0.15 -1.26 -4.50 113.70 99.24 2yro s SER 154 Ca -0.08 0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.99 2yro s SER 154 Cb 0.07 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 65.18 2yro s SER 154 CO 0.40 -0.07 0.20 0.61 1.20 0.00 0.00 173.24 175.58