#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yro s SER 2 N 0.00 -1.02 -0.18 1.61 0.01 -1.26 -5.02 113.70 107.84 2yro s SER 2 Ca 0.00 0.91 -0.16 0.00 1.31 0.00 0.00 55.95 58.01 2yro s SER 2 Cb 0.00 -1.31 -0.06 0.00 0.21 0.00 0.00 66.02 64.86 2yro s SER 2 CO 0.00 -5.34 -0.31 -0.24 0.41 0.00 0.00 173.24 167.76 2yro n SER 3 N -5.63 1.91 0.00 2.44 2.88 -1.26 -5.13 113.62 108.84 2yro n SER 3 Ca 0.12 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 2yro n SER 3 Cb 0.60 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 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 1.47 -1.17 3.97 0.46 0.00 -1.26 -5.16 105.19 103.50 2yro n GLY 4 Ca -0.17 -1.05 -0.21 0.00 0.00 0.00 0.00 46.02 44.59 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 -4.00 6.21 -0.10 1.61 0.15 -1.26 -4.86 113.70 111.45 2yro s SER 5 Ca 0.00 0.10 -0.11 0.00 0.70 0.00 0.00 55.95 56.63 2yro s SER 5 Cb 0.00 -1.73 -0.10 0.00 -1.71 0.00 0.00 66.02 62.48 2yro s SER 5 CO 0.00 -0.23 0.34 -1.28 1.20 0.00 0.00 173.24 173.27 2yro h SER 6 N 0.98 -0.04 0.00 5.45 0.87 -1.99 -3.50 113.55 115.31 2yro h SER 6 Ca -0.50 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 2yro h SER 6 Cb 1.24 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2yro h SER 6 CO 0.59 0.60 0.00 0.61 -0.53 0.00 0.00 176.83 178.10 2yro n GLY 7 N 1.54 0.19 3.63 5.77 0.00 -1.26 -5.14 105.19 109.92 2yro n GLY 7 Ca -0.04 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 -0.53 0.06 1.61 0.04 -1.26 -5.09 135.00 129.83 2yro s PRO 8 Ca 0.00 0.19 -0.15 0.00 0.04 0.00 0.00 61.00 61.08 2yro s PRO 8 Cb 0.00 -1.65 0.03 0.00 0.04 0.00 0.00 34.50 32.91 2yro s PRO 8 CO 0.00 -3.30 0.35 0.21 0.04 0.00 0.00 177.00 174.30 2yro s LYS 9 N -5.20 0.90 0.04 4.56 2.47 -1.26 -5.04 119.74 116.20 2yro s LYS 9 Ca 0.68 -0.54 0.08 0.00 -1.56 0.00 0.00 55.97 54.64 2yro s LYS 9 Cb -0.14 0.39 -0.03 0.00 -1.46 0.00 0.00 37.83 36.60 2yro s LYS 9 CO 0.57 -0.31 -0.23 -1.12 0.16 0.00 0.00 175.35 174.43 2yro s SER 10 N -2.25 2.69 -0.62 1.43 0.01 -1.26 -5.04 113.70 108.66 2yro s SER 10 Ca -0.03 -0.53 -0.01 0.00 1.31 0.00 0.00 55.95 56.69 2yro s SER 10 Cb 0.00 -0.24 0.45 0.00 0.21 0.00 0.00 66.02 66.45 2yro s SER 10 CO -0.05 0.20 1.93 0.61 0.41 0.00 0.00 173.24 176.34 2yro n GLY 11 N 1.88 5.94 3.58 3.44 0.00 -1.26 -4.97 105.19 113.79 2yro n GLY 11 Ca -0.17 -2.34 -0.28 0.00 0.00 0.00 0.00 46.02 43.22 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 -4.79 3.30 -1.26 2.61 -4.23 -1.26 -4.99 115.64 105.01 2yro s THR 12 Ca 0.63 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 2yro s THR 12 Cb 0.50 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.76 2yro s THR 12 CO -0.00 0.02 0.31 -0.81 -0.54 0.00 0.00 174.62 173.59 2yro n PRO 13 N 0.42 0.49 -2.85 3.99 -0.04 -1.26 -4.76 135.00 130.99 2yro n PRO 13 Ca -0.12 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.13 2yro n PRO 13 Cb 0.54 -1.18 0.06 0.00 -0.04 0.00 0.00 33.50 32.87 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 -1.26 2.29 1.26 0.54 1.11 -1.26 -5.09 119.66 117.24 2yro s GLN 14 Ca 0.00 -1.28 -0.16 0.00 0.01 0.00 0.00 55.36 53.93 2yro s GLN 14 Cb 0.00 -2.56 0.32 0.00 -1.01 0.00 0.00 33.01 29.75 2yro s GLN 14 CO 0.00 -0.87 0.99 -0.51 0.01 0.00 0.00 175.29 174.92 2yro s LEU 15 N -4.74 0.08 0.02 2.90 1.43 -1.25 -5.06 118.68 112.06 2yro s LEU 15 Ca 0.61 1.24 -0.02 0.00 -1.03 0.00 0.00 54.13 54.92 2yro s LEU 15 Cb -0.07 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 2yro s LEU 15 CO 0.39 -4.64 0.02 -0.44 0.23 0.00 0.00 176.35 171.90 2yro s SER 16 N -2.78 0.21 0.07 2.29 0.01 -1.26 -4.75 113.70 107.50 2yro s SER 16 Ca 0.69 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 57.47 2yro s SER 16 Cb -0.21 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.12 2yro s SER 16 CO 0.62 -0.35 0.21 -0.76 0.41 0.00 0.00 173.24 173.37 2yro s LEU 17 N -1.61 4.31 0.21 2.44 1.43 -1.26 -3.16 118.68 121.04 2yro s LEU 17 Ca -0.13 0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.90 2yro s LEU 17 Cb -0.07 -2.91 -0.09 0.00 0.03 0.00 0.00 46.19 43.15 2yro s LEU 17 CO -0.01 0.15 1.29 -2.16 0.23 0.00 0.00 176.35 175.85 2yro s PRO 18 N -2.60 4.40 -0.53 1.29 0.04 -1.26 -4.67 135.00 131.67 2yro s PRO 18 Ca 0.34 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 63.21 2yro s PRO 18 Cb -0.13 -3.19 0.05 0.00 0.04 0.00 0.00 34.50 31.28 2yro s PRO 18 CO 0.28 -0.22 0.81 0.12 0.04 0.00 0.00 177.00 178.03 2yro s PHE 19 N -0.07 2.90 -0.28 0.56 5.36 0.19 -4.92 117.98 121.72 2yro s PHE 19 Ca 0.55 -0.25 0.03 0.00 -0.96 0.00 0.00 56.93 56.30 2yro s PHE 19 Cb -0.36 -3.85 0.07 0.00 -0.34 0.00 0.00 43.02 38.54 2yro s PHE 19 CO 0.40 -1.22 -0.06 0.00 -1.46 0.00 0.00 175.22 172.88 2yro s ALA 20 N 3.38 2.65 -0.11 11.12 0.00 -1.26 -0.48 121.76 137.05 2yro s ALA 20 Ca 0.24 -2.00 -0.11 0.00 0.00 0.00 0.00 51.96 50.09 2yro s ALA 20 Cb -0.15 -1.71 0.03 0.00 0.00 0.00 0.00 23.12 21.29 2yro s ALA 20 CO 0.16 -1.36 0.31 0.00 0.00 0.00 0.00 175.76 174.87 2yro s ALA 21 N 1.05 -0.77 0.46 0.00 0.00 -1.00 -5.02 121.76 116.47 2yro s ALA 21 Ca -0.02 0.86 -0.14 0.00 0.00 0.00 0.00 51.96 52.66 2yro s ALA 21 Cb -0.20 -0.49 -0.07 0.00 0.00 0.00 0.00 23.12 22.36 2yro s ALA 21 CO -0.06 -0.15 0.89 1.03 0.00 0.00 0.00 175.76 177.46 2yro s ARG 22 N 0.11 3.89 0.02 0.00 0.52 -1.26 -1.98 118.95 120.25 2yro s ARG 22 Ca -0.01 0.75 -0.25 0.00 -0.52 0.00 0.00 55.73 55.70 2yro s ARG 22 Cb -0.02 -2.25 -0.05 0.00 0.52 0.00 0.00 34.95 33.14 2yro s ARG 22 CO 0.01 -0.15 0.77 -0.51 0.02 0.00 0.00 175.30 175.43 2yro s LEU 23 N -3.91 4.42 0.30 2.53 1.43 -1.14 -4.92 118.68 117.39 2yro s LEU 23 Ca 0.56 1.42 0.06 0.00 -1.03 0.00 0.00 54.13 55.13 2yro s LEU 23 Cb -0.10 -3.23 0.82 0.00 0.03 0.00 0.00 46.19 43.71 2yro s LEU 23 CO 0.30 -0.03 1.65 0.78 0.23 0.00 0.00 176.35 179.29 2yro h ASN 24 N 5.93 0.15 -3.45 2.29 2.35 -1.96 -3.40 115.58 117.49 2yro h ASN 24 Ca -0.43 0.20 -0.66 0.00 -0.55 0.00 0.00 56.30 54.85 2yro h ASN 24 Cb 1.20 0.23 -0.19 0.00 0.05 0.00 0.00 38.32 39.62 2yro h ASN 24 CO 0.72 -0.15 -0.81 0.42 -1.65 0.00 0.00 177.43 175.96 2yro s THR 25 N -5.86 2.60 0.02 2.81 -4.23 -1.26 -5.10 115.64 104.62 2yro s THR 25 Ca -0.11 -1.78 -0.30 0.00 -1.18 0.00 0.00 61.69 58.32 2yro s THR 25 Cb 0.27 -2.22 -0.06 0.00 1.34 0.00 0.00 72.50 71.83 2yro s THR 25 CO 0.78 -0.02 1.43 -2.16 -0.54 0.00 0.00 174.62 174.11 2yro s PRO 26 N -2.43 4.27 0.96 3.99 0.04 -1.26 -4.92 135.00 135.65 2yro s PRO 26 Ca 0.19 2.02 -0.17 0.00 0.04 0.00 0.00 61.00 63.09 2yro s PRO 26 Cb -0.09 -3.55 0.02 0.00 0.04 0.00 0.00 34.50 30.92 2yro s PRO 26 CO 0.10 -0.59 -0.35 -1.33 0.04 0.00 0.00 177.00 174.88 2yro n MET 27 N 5.30 -1.13 -3.78 4.56 2.81 -0.94 -4.91 117.12 119.03 2yro n MET 27 Ca 0.13 -0.33 0.00 0.00 -1.81 0.00 0.00 57.70 55.69 2yro n MET 27 Cb 0.43 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 2yro n MET 27 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2yro n GLY 28 N 2.71 -1.55 3.76 3.03 0.00 -1.23 -3.95 105.19 107.97 2yro n GLY 28 Ca 0.01 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.63 4.46 0.00 1.61 0.04 -1.26 -2.80 135.00 135.42 2yro s PRO 29 Ca 0.00 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2yro s PRO 29 Cb 0.00 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.41 2yro s PRO 29 CO 0.00 -0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.39 2yro n GLY 30 N 1.12 2.61 3.75 0.56 0.00 0.13 -4.34 105.19 109.03 2yro n GLY 30 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.20 4.28 -0.30 1.61 3.00 -1.12 -4.69 118.95 121.53 2yro s ARG 31 Ca 0.00 2.28 0.03 0.00 0.00 0.00 0.00 55.73 58.04 2yro s ARG 31 Cb 0.00 -3.11 0.09 0.00 0.00 0.00 0.00 34.95 31.93 2yro s ARG 31 CO 0.00 -0.38 0.01 0.99 0.00 0.00 0.00 175.30 175.92 2yro s THR 32 N -0.19 1.94 -0.30 0.02 2.01 -1.20 -2.38 115.64 115.54 2yro s THR 32 Ca 0.57 -1.91 -0.09 0.00 0.31 0.00 0.00 61.69 60.58 2yro s THR 32 Cb -0.41 -2.33 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 2yro s THR 32 CO 0.45 -0.43 0.12 -0.69 -0.69 0.00 0.00 174.62 173.38 2yro s VAL 33 N 1.12 4.39 -0.01 3.82 1.01 -0.39 -2.46 120.40 127.87 2yro s VAL 33 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2yro s VAL 33 Cb -0.19 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2yro s VAL 33 CO -0.10 0.10 0.03 0.68 0.00 0.00 0.00 175.10 175.82 2yro s VAL 34 N 1.58 4.37 -0.30 2.92 -7.23 0.24 -0.55 120.40 121.44 2yro s VAL 34 Ca 0.04 -0.50 0.03 0.00 -1.81 0.00 0.00 61.98 59.74 2yro s VAL 34 Cb -0.17 -2.96 0.08 0.00 0.56 0.00 0.00 36.38 33.90 2yro s VAL 34 CO 0.05 0.39 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.53 2yro s VAL 35 N -1.11 2.08 -0.26 1.32 1.01 -0.00 -2.52 120.40 120.93 2yro s VAL 35 Ca 0.20 -1.94 -0.18 0.00 0.00 0.00 0.00 61.98 60.06 2yro s VAL 35 Cb -0.12 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 2yro s VAL 35 CO 0.11 -0.37 0.50 -0.54 0.00 0.00 0.00 175.10 174.80 2yro s LYS 36 N 1.06 4.07 0.00 2.72 1.02 -1.13 -2.71 119.74 124.77 2yro s LYS 36 Ca 0.03 0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.32 2yro s LYS 36 Cb -0.19 -3.65 0.00 0.00 -0.52 0.00 0.00 37.83 33.47 2yro s LYS 36 CO -0.08 -0.33 0.00 0.41 -0.92 0.00 0.00 175.35 174.43 2yro n GLY 37 N 4.38 2.55 3.35 -3.33 0.00 -1.23 -2.13 105.19 108.78 2yro n GLY 37 Ca -0.05 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.25 0.45 0.17 1.61 2.02 -0.70 -3.56 118.70 117.43 2yro s GLU 38 Ca 0.00 0.91 -0.30 0.00 0.02 0.00 0.00 54.97 55.60 2yro s GLU 38 Cb 0.00 0.05 -0.07 0.00 0.10 0.00 0.00 34.13 34.21 2yro s GLU 38 CO 0.00 -0.17 1.00 0.08 0.02 0.00 0.00 175.26 176.20 2yro s VAL 39 N 1.58 4.17 0.62 2.63 1.01 -1.01 -1.76 120.40 127.64 2yro s VAL 39 Ca -0.09 1.92 -0.16 0.00 0.00 0.00 0.00 61.98 63.65 2yro s VAL 39 Cb -0.08 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 2yro s VAL 39 CO -0.14 0.35 1.11 0.20 0.00 0.00 0.00 175.10 176.62 2yro s ASN 40 N -0.35 5.35 0.23 3.32 0.01 -1.26 0.72 114.94 122.96 2yro s ASN 40 Ca 0.46 2.04 -0.08 0.00 -0.71 0.00 0.00 52.86 54.56 2yro s ASN 40 Cb -0.26 -2.56 0.21 0.00 0.41 0.00 0.00 41.25 39.05 2yro s ASN 40 CO 0.32 -1.47 1.89 0.00 -1.51 0.00 0.00 177.10 176.34 2yro h ALA 41 N 0.42 1.09 -0.80 0.60 0.00 -1.93 -2.43 119.26 116.20 2yro h ALA 41 Ca -0.48 -0.05 -0.51 0.00 0.00 0.00 0.00 54.91 53.87 2yro h ALA 41 Cb 1.25 -0.33 -0.28 0.00 0.00 0.00 0.00 17.79 18.43 2yro h ALA 41 CO 0.55 0.46 0.27 0.09 0.00 0.00 0.00 179.25 180.62 2yro n ASN 42 N -4.51 5.14 -4.71 0.00 4.13 -1.26 -4.68 115.26 109.38 2yro n ASN 42 Ca 0.09 -3.75 -0.41 0.00 1.68 0.00 0.00 54.58 52.19 2yro n ASN 42 Cb 0.03 -0.74 -0.04 0.00 -1.54 0.00 0.00 39.78 37.49 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 -3.55 3.26 -0.03 5.41 0.00 -0.94 -4.98 121.76 120.92 2yro s ALA 43 Ca 0.56 0.37 -0.15 0.00 0.00 0.00 0.00 51.96 52.75 2yro s ALA 43 Cb 0.46 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 20.27 2yro s ALA 43 CO 0.02 -0.25 0.62 -0.22 0.00 0.00 0.00 175.76 175.94 2yro h LYS 44 N 6.85 -0.51 -1.23 0.00 3.64 -1.91 -3.48 116.57 119.94 2yro h LYS 44 Ca -0.39 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.21 2yro h LYS 44 Cb 1.20 0.11 -0.26 0.00 -0.41 0.00 0.00 32.23 32.88 2yro h LYS 44 CO 0.77 -0.34 0.82 -1.54 -2.27 0.00 0.00 179.45 176.89 2yro s SER 45 N -4.82 -0.15 0.42 4.20 1.04 -1.26 -3.46 113.70 109.67 2yro s SER 45 Ca -0.08 0.16 0.07 0.00 0.48 0.00 0.00 55.95 56.58 2yro s SER 45 Cb 0.01 0.12 -0.06 0.00 0.10 0.00 0.00 66.02 66.19 2yro s SER 45 CO 0.23 -0.14 0.13 0.72 0.98 0.00 0.00 173.24 175.17 2yro s PHE 46 N -1.05 2.54 -0.06 5.02 -0.71 -1.26 -3.00 117.98 119.47 2yro s PHE 46 Ca 0.05 -0.63 -0.16 0.00 -1.04 0.00 0.00 56.93 55.16 2yro s PHE 46 Cb -0.01 -1.90 0.03 0.00 -1.21 0.00 0.00 43.02 39.93 2yro s PHE 46 CO -0.05 0.24 0.36 0.54 -1.34 0.00 0.00 175.22 174.97 2yro s ASN 47 N -3.86 -0.29 -0.33 1.98 4.22 -0.04 -3.13 114.94 113.49 2yro s ASN 47 Ca 0.38 0.34 0.01 0.00 -2.14 0.00 0.00 52.86 51.45 2yro s ASN 47 Cb 0.05 0.47 0.10 0.00 1.28 0.00 0.00 41.25 43.16 2yro s ASN 47 CO 0.21 -0.36 0.11 -0.69 -2.04 0.00 0.00 177.10 174.32 2yro s VAL 48 N -0.85 1.24 -0.33 3.54 1.01 -0.85 -2.00 120.40 122.16 2yro s VAL 48 Ca -0.09 -1.75 -0.20 0.00 0.00 0.00 0.00 61.98 59.94 2yro s VAL 48 Cb -0.04 -1.92 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 2yro s VAL 48 CO 0.04 -0.69 0.62 -1.81 0.00 0.00 0.00 175.10 173.26 2yro s ASP 49 N 1.31 6.45 -0.39 3.32 1.11 -0.26 -2.76 116.67 125.45 2yro s ASP 49 Ca 0.11 0.27 -0.09 0.00 0.18 0.00 0.00 52.55 53.02 2yro s ASP 49 Cb -0.19 -2.32 0.05 0.00 1.07 0.00 0.00 42.92 41.53 2yro s ASP 49 CO -0.18 -0.53 0.22 -0.22 1.18 0.00 0.00 175.17 175.63 2yro s LEU 50 N 2.64 4.87 0.45 1.23 2.96 -0.63 -2.15 118.68 128.05 2yro s LEU 50 Ca 0.24 -1.27 0.03 0.00 -0.22 0.00 0.00 54.13 52.92 2yro s LEU 50 Cb -0.15 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 2yro s LEU 50 CO 0.13 -0.45 0.05 -1.48 -1.32 0.00 0.00 176.35 173.28 2yro s LEU 51 N 1.47 2.28 -0.05 -0.68 0.05 -1.25 -0.10 118.68 120.41 2yro s LEU 51 Ca 0.02 -1.59 0.01 0.00 0.05 0.00 0.00 54.13 52.62 2yro s LEU 51 Cb -0.21 -0.54 -0.03 0.00 -2.05 0.00 0.00 46.19 43.36 2yro s LEU 51 CO 0.04 -0.79 -0.05 0.00 -0.55 0.00 0.00 176.35 175.00 2yro s ALA 52 N -2.99 3.07 -1.38 1.48 0.00 -1.13 -3.08 121.76 117.72 2yro s ALA 52 Ca 0.19 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2yro s ALA 52 Cb 0.04 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.90 2yro s ALA 52 CO 0.10 0.59 0.62 0.41 0.00 0.00 0.00 175.76 177.48 2yro n GLY 53 N 1.98 0.50 0.13 0.00 0.00 -1.26 -1.65 105.19 104.89 2yro n GLY 53 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.16 0.52 -0.57 1.61 3.00 -1.26 -4.74 118.16 116.56 2yro n LYS 54 Ca 0.00 0.21 0.06 0.00 -0.00 0.00 0.00 58.31 58.58 2yro n LYS 54 Cb 0.14 -1.41 0.18 0.00 0.00 0.00 0.00 35.03 33.94 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 -4.40 1.74 -3.72 3.14 7.64 -1.24 -4.98 113.62 111.80 2yro n SER 55 Ca -0.19 -3.59 -0.23 0.00 1.01 0.00 0.00 58.87 55.86 2yro n SER 55 Cb 0.55 -0.49 -0.07 0.00 -1.01 0.00 0.00 64.21 63.20 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 -1.04 -0.92 -3.84 1.43 4.76 -0.66 -4.86 118.16 113.03 2yro n LYS 56 Ca 0.17 0.07 -0.36 0.00 -2.87 0.00 0.00 58.31 55.32 2yro n LYS 56 Cb 0.71 -2.65 -0.13 0.00 -1.84 0.00 0.00 35.03 31.12 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 -3.62 4.76 -0.28 4.39 1.01 -1.25 -4.87 116.67 116.81 2yro s ASP 57 Ca 0.14 -0.61 -0.28 0.00 0.71 0.00 0.00 52.55 52.51 2yro s ASP 57 Cb -0.08 -1.81 -0.03 0.00 1.01 0.00 0.00 42.92 42.01 2yro s ASP 57 CO 0.69 -0.12 1.89 -0.63 0.21 0.00 0.00 175.17 177.21 2yro s ILE 58 N 1.47 3.37 -0.02 0.77 1.01 -1.17 -2.83 121.20 123.80 2yro s ILE 58 Ca 0.03 0.38 -0.22 0.00 0.00 0.00 0.00 60.65 60.84 2yro s ILE 58 Cb -0.16 -3.47 -0.21 0.00 0.01 0.00 0.00 42.46 38.62 2yro s ILE 58 CO -0.00 -0.28 1.12 0.00 0.00 0.00 0.00 174.94 175.77 2yro h ALA 59 N 13.14 0.08 -3.27 9.38 0.00 -0.80 -2.96 119.26 134.83 2yro h ALA 59 Ca -0.36 -0.45 -0.37 0.00 0.00 0.00 0.00 54.91 53.73 2yro h ALA 59 Cb 1.19 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.59 2yro h ALA 59 CO 1.01 0.14 -0.73 -1.17 0.00 0.00 0.00 179.25 178.50 2yro s LEU 60 N -8.62 0.12 -0.33 0.00 2.96 -1.05 -4.58 118.68 107.18 2yro s LEU 60 Ca -0.15 0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 2yro s LEU 60 Cb 0.02 -0.10 0.09 0.00 0.50 0.00 0.00 46.19 46.71 2yro s LEU 60 CO 0.76 -0.25 0.04 -2.28 -1.32 0.00 0.00 176.35 173.30 2yro s HIS 61 N 2.18 3.60 -0.36 5.38 5.65 0.35 -1.61 115.29 130.48 2yro s HIS 61 Ca 0.05 -2.68 -0.05 0.00 0.25 0.00 0.00 55.06 52.63 2yro s HIS 61 Cb -0.12 -2.70 0.07 0.00 -1.18 0.00 0.00 32.58 28.64 2yro s HIS 61 CO -0.04 -0.93 0.13 -0.51 -0.65 0.00 0.00 174.74 172.75 2yro s LEU 62 N 1.01 4.60 -0.34 8.88 1.43 -1.11 -1.50 118.68 131.64 2yro s LEU 62 Ca 0.05 -1.47 0.04 0.00 -1.03 0.00 0.00 54.13 51.71 2yro s LEU 62 Cb -0.20 -1.84 0.10 0.00 0.03 0.00 0.00 46.19 44.29 2yro s LEU 62 CO -0.06 -0.40 0.05 0.21 0.23 0.00 0.00 176.35 176.38 2yro s ASN 63 N 1.60 4.79 1.15 2.29 3.04 0.12 -2.01 114.94 125.92 2yro s ASN 63 Ca 0.01 -2.14 -0.17 0.00 0.04 0.00 0.00 52.86 50.59 2yro s ASN 63 Cb -0.21 -1.64 0.26 0.00 -1.54 0.00 0.00 41.25 38.12 2yro s ASN 63 CO -0.00 -0.38 1.10 -2.16 -3.04 0.00 0.00 177.10 172.62 2yro s PRO 64 N 0.91 -0.79 -0.16 0.43 0.04 -1.18 -1.85 135.00 132.40 2yro s PRO 64 Ca 0.11 0.09 -0.08 0.00 0.04 0.00 0.00 61.00 61.15 2yro s PRO 64 Cb -0.19 -1.63 0.06 0.00 0.04 0.00 0.00 34.50 32.77 2yro s PRO 64 CO -0.08 -3.46 0.38 1.03 0.04 0.00 0.00 177.00 174.91 2yro s ARG 65 N -5.28 0.35 -0.14 4.56 0.52 0.66 -4.32 118.95 115.29 2yro s ARG 65 Ca 0.69 0.75 0.11 0.00 -0.52 0.00 0.00 55.73 56.76 2yro s ARG 65 Cb -0.12 -0.03 -0.23 0.00 0.52 0.00 0.00 34.95 35.09 2yro s ARG 65 CO 0.57 -0.17 0.27 1.28 0.02 0.00 0.00 175.30 177.27 2yro n LEU 66 N 4.34 1.05 -0.34 2.53 4.77 -1.22 -0.29 117.00 127.83 2yro n LEU 66 Ca -0.23 0.15 0.15 0.00 -0.03 0.00 0.00 56.01 56.06 2yro n LEU 66 Cb 0.54 -0.01 0.30 0.00 -2.33 0.00 0.00 43.42 41.92 2yro n LEU 66 CO 0.09 0.57 0.80 -3.20 -1.33 0.00 0.00 177.39 174.31 2yro n ASN 67 N -3.01 -0.10 -1.08 -1.43 5.15 -1.26 -1.90 115.26 111.63 2yro n ASN 67 Ca -0.29 1.69 0.04 0.00 -0.60 0.00 0.00 54.58 55.42 2yro n ASN 67 Cb 1.08 -0.62 0.06 0.00 -0.53 0.00 0.00 39.78 39.77 2yro n ASN 67 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2yro n ILE 68 N -5.48 0.53 -3.97 -1.44 -0.00 -1.26 -5.00 119.36 102.74 2yro n ILE 68 Ca 0.24 -1.33 -0.27 0.00 -0.00 0.00 0.00 62.75 61.38 2yro n ILE 68 Cb 0.78 0.61 -0.01 0.00 -0.00 0.00 0.00 39.64 41.02 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 -0.01 -3.75 -4.13 6.28 5.02 -0.80 -4.96 118.16 115.82 2yro n LYS 69 Ca 0.08 0.45 -0.33 0.00 -2.02 0.00 0.00 58.31 56.49 2yro n LYS 69 Cb 0.96 -4.83 -0.07 0.00 -0.02 0.00 0.00 35.03 31.06 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 -3.72 3.53 -0.18 7.82 0.00 0.60 -4.70 121.76 125.11 2yro s ALA 70 Ca 0.22 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.29 2yro s ALA 70 Cb -0.12 -1.53 0.03 0.00 0.00 0.00 0.00 23.12 21.51 2yro s ALA 70 CO 0.88 0.69 -0.15 0.12 0.00 0.00 0.00 175.76 177.29 2yro s PHE 71 N -1.19 2.58 -0.20 0.00 2.19 -1.20 0.24 117.98 120.40 2yro s PHE 71 Ca 0.23 -1.59 -0.10 0.00 0.33 0.00 0.00 56.93 55.80 2yro s PHE 71 Cb -0.12 -1.77 -0.05 0.00 -1.31 0.00 0.00 43.02 39.77 2yro s PHE 71 CO 0.14 -0.76 0.14 0.08 1.83 0.00 0.00 175.22 176.64 2yro s VAL 72 N 1.35 5.41 -0.18 3.12 1.01 -0.77 -3.67 120.40 126.66 2yro s VAL 72 Ca 0.02 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 2yro s VAL 72 Cb -0.14 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 32.83 2yro s VAL 72 CO -0.10 0.44 0.11 0.00 0.00 0.00 0.00 175.10 175.55 2yro s ARG 73 N 0.32 0.09 0.35 2.72 1.70 -1.23 -0.70 118.95 122.21 2yro s ARG 73 Ca 0.08 -0.09 -0.07 0.00 -0.47 0.00 0.00 55.73 55.18 2yro s ARG 73 Cb -0.11 -1.70 0.02 0.00 -0.57 0.00 0.00 34.95 32.58 2yro s ARG 73 CO -0.02 -0.70 0.58 1.21 -1.08 0.00 0.00 175.30 175.29 2yro s ASN 74 N 2.16 0.60 0.02 -2.89 2.47 -0.56 -4.15 114.94 112.58 2yro s ASN 74 Ca 0.03 -1.35 0.02 0.00 0.42 0.00 0.00 52.86 51.97 2yro s ASN 74 Cb -0.16 0.72 -0.02 0.00 -1.45 0.00 0.00 41.25 40.34 2yro s ASN 74 CO -0.12 -1.42 -0.06 -0.94 -3.72 0.00 0.00 177.10 170.85 2yro s SER 75 N -3.18 0.64 -0.46 -4.21 1.04 -1.26 -0.49 113.70 105.78 2yro s SER 75 Ca 0.25 -0.38 -0.06 0.00 0.48 0.00 0.00 55.95 56.24 2yro s SER 75 Cb -0.02 0.01 0.12 0.00 0.10 0.00 0.00 66.02 66.24 2yro s SER 75 CO 0.17 -0.13 0.31 0.12 0.98 0.00 0.00 173.24 174.69 2yro s PHE 76 N -0.95 3.50 0.08 5.02 5.36 -1.12 -2.77 117.98 127.09 2yro s PHE 76 Ca -0.07 -2.15 0.10 0.00 -0.96 0.00 0.00 56.93 53.85 2yro s PHE 76 Cb -0.07 -3.38 -0.03 0.00 -0.34 0.00 0.00 43.02 39.19 2yro s PHE 76 CO 0.00 -0.98 -0.26 -0.51 -1.46 0.00 0.00 175.22 172.01 2yro s LEU 77 N 1.15 2.23 -1.69 6.12 1.43 -0.74 -3.06 118.68 124.12 2yro s LEU 77 Ca 0.08 -0.65 -0.17 0.00 -1.03 0.00 0.00 54.13 52.36 2yro s LEU 77 Cb -0.24 -1.23 0.15 0.00 0.03 0.00 0.00 46.19 44.89 2yro s LEU 77 CO -0.02 0.22 0.72 0.00 0.23 0.00 0.00 176.35 177.50 2yro n GLN 78 N 1.45 -2.94 -3.87 1.70 6.02 -1.26 0.38 117.38 118.86 2yro n GLN 78 Ca -0.17 0.35 -0.29 0.00 -0.01 0.00 0.00 57.00 56.87 2yro n GLN 78 Cb 0.52 -4.98 0.03 0.00 1.02 0.00 0.00 30.24 26.83 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 -4.37 -5.85 -3.79 -1.09 1.02 -1.26 -4.97 120.64 100.34 2yro n GLU 79 Ca 0.03 0.63 -0.13 0.00 -0.02 0.00 0.00 57.16 57.67 2yro n GLU 79 Cb 0.51 -5.54 -0.13 0.00 -0.02 0.00 0.00 31.44 26.26 2yro n GLU 79 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2yro s SER 80 N -3.33 -0.13 0.00 1.62 0.15 0.16 -5.15 113.70 107.03 2yro s SER 80 Ca 0.65 0.30 -0.18 0.00 0.70 0.00 0.00 55.95 57.42 2yro s SER 80 Cb -0.32 0.25 -0.06 0.00 -1.71 0.00 0.00 66.02 64.18 2yro s SER 80 CO 0.82 -0.10 0.50 0.26 1.20 0.00 0.00 173.24 175.92 2yro s TRP 81 N 0.62 3.71 0.00 3.44 0.52 -1.26 -1.79 118.94 124.19 2yro s TRP 81 Ca -0.05 1.10 0.00 0.00 0.02 0.00 0.00 56.10 57.17 2yro s TRP 81 Cb -0.06 -2.44 0.00 0.00 -1.15 0.00 0.00 33.47 29.81 2yro s TRP 81 CO -0.03 0.51 0.00 0.41 0.02 0.00 0.00 176.95 177.86 2yro n GLY 82 N 2.11 -0.58 3.14 0.98 0.00 -1.12 -4.95 105.19 104.78 2yro n GLY 82 Ca -0.11 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 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 2.61 0.38 1.61 2.12 -1.26 -5.01 118.70 119.15 2yro s GLU 83 Ca 0.00 -2.33 -0.28 0.00 0.36 0.00 0.00 54.97 52.72 2yro s GLU 83 Cb 0.00 -3.83 -0.10 0.00 0.26 0.00 0.00 34.13 30.46 2yro s GLU 83 CO 0.00 -1.18 1.39 -1.21 -0.54 0.00 0.00 175.26 173.72 2yro s GLU 84 N 0.31 4.11 -0.00 4.30 8.01 -1.26 -4.86 118.70 129.30 2yro s GLU 84 Ca 0.14 2.37 0.02 0.00 0.01 0.00 0.00 54.97 57.51 2yro s GLU 84 Cb -0.20 -2.92 -0.01 0.00 -4.31 0.00 0.00 34.13 26.69 2yro s GLU 84 CO -0.04 -0.45 -0.07 -1.21 0.01 0.00 0.00 175.26 173.50 2yro s GLU 85 N -2.07 0.55 -0.07 1.61 2.02 -1.26 -5.00 118.70 114.48 2yro s GLU 85 Ca 0.53 -0.28 0.02 0.00 0.02 0.00 0.00 54.97 55.26 2yro s GLU 85 Cb -0.42 -0.52 -0.05 0.00 0.10 0.00 0.00 34.13 33.23 2yro s GLU 85 CO 0.56 0.14 -0.04 0.54 0.02 0.00 0.00 175.26 176.49 2yro n ARG 86 N 2.80 1.10 -1.62 1.61 1.74 -1.24 -3.49 116.66 117.55 2yro n ARG 86 Ca -0.14 0.03 -0.48 0.00 -0.77 0.00 0.00 57.85 56.49 2yro n ARG 86 Cb 0.57 -1.15 -0.04 0.00 -1.02 0.00 0.00 32.46 30.83 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 -2.55 2.12 -3.95 0.55 3.02 -1.26 -3.25 115.26 109.93 2yro n ASN 87 Ca -0.12 1.13 -0.09 0.00 -0.03 0.00 0.00 54.58 55.47 2yro n ASN 87 Cb 0.65 -1.31 -0.05 0.00 -0.61 0.00 0.00 39.78 38.46 2yro n ASN 87 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2yro s ILE 88 N 0.13 0.00 -0.06 2.41 -4.36 -1.26 -4.94 121.20 113.12 2yro s ILE 88 Ca 0.74 -1.43 -0.26 0.00 -0.26 0.00 0.00 60.65 59.44 2yro s ILE 88 Cb -0.78 -2.25 -0.21 0.00 1.25 0.00 0.00 42.46 40.48 2yro s ILE 88 CO 0.48 0.00 1.07 0.74 0.24 0.00 0.00 174.94 177.48 2yro h THR 89 N 2.25 1.42 -2.58 8.37 2.02 -1.93 -3.48 112.91 118.99 2yro h THR 89 Ca -0.26 -1.47 -0.07 0.00 0.77 0.00 0.00 66.41 65.37 2yro h THR 89 Cb 1.25 2.39 -0.18 0.00 -1.74 0.00 0.00 68.15 69.87 2yro h THR 89 CO 0.36 0.37 0.02 -0.94 0.37 0.00 0.00 175.52 175.70 2yro s SER 90 N -5.80 -0.45 -0.45 4.18 1.04 -1.26 -5.13 113.70 105.82 2yro s SER 90 Ca -0.16 0.33 -0.07 0.00 0.48 0.00 0.00 55.95 56.53 2yro s SER 90 Cb 0.00 0.47 0.12 0.00 0.10 0.00 0.00 66.02 66.70 2yro s SER 90 CO 0.65 -0.62 0.30 0.12 0.98 0.00 0.00 173.24 174.67 2yro s PHE 91 N -1.79 3.47 -0.02 5.02 5.36 -1.26 -4.96 117.98 123.80 2yro s PHE 91 Ca -0.09 -2.02 -0.26 0.00 -0.96 0.00 0.00 56.93 53.61 2yro s PHE 91 Cb -0.01 -3.40 -0.20 0.00 -0.34 0.00 0.00 43.02 39.07 2yro s PHE 91 CO 0.03 -0.98 1.27 -1.00 -1.46 0.00 0.00 175.22 173.08 2yro h PRO 92 N 8.33 0.02 -5.02 10.12 0.13 -1.98 -3.45 132.00 140.15 2yro h PRO 92 Ca -0.19 -0.01 -0.63 0.00 -0.87 0.00 0.00 66.00 64.31 2yro h PRO 92 Cb 1.07 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.26 2yro h PRO 92 CO 0.81 0.50 -0.12 1.19 -0.23 0.00 0.00 178.00 180.15 2yro n PHE 93 N -4.84 0.21 -3.84 1.56 3.72 -1.26 -4.96 117.46 108.04 2yro n PHE 93 Ca -0.08 0.86 -0.12 0.00 -0.05 0.00 0.00 57.45 58.06 2yro n PHE 93 Cb 0.25 -1.71 -0.11 0.00 -0.94 0.00 0.00 39.48 36.97 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 -0.29 -0.09 -0.23 4.37 0.15 -1.26 -5.02 113.70 111.33 2yro s SER 94 Ca 0.68 0.11 -0.29 0.00 0.70 0.00 0.00 55.95 57.15 2yro s SER 94 Cb -0.96 0.28 -0.02 0.00 -1.71 0.00 0.00 66.02 63.61 2yro s SER 94 CO 0.47 -0.19 1.62 -2.16 1.20 0.00 0.00 173.24 174.19 2yro s PRO 95 N -0.53 3.76 0.00 5.44 0.04 -1.26 -3.13 135.00 139.31 2yro s PRO 95 Ca -0.06 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2yro s PRO 95 Cb -0.04 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.45 2yro s PRO 95 CO 0.01 -1.34 0.00 0.41 0.04 0.00 0.00 177.00 176.12 2yro n GLY 96 N 4.73 0.93 3.18 0.56 0.00 0.22 -4.54 105.19 110.26 2yro n GLY 96 Ca 0.19 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.88 1.00 -0.41 1.61 0.23 -1.18 -4.95 119.30 112.72 2yro s MET 97 Ca 0.00 -1.49 -0.18 0.00 -1.03 0.00 0.00 55.69 52.99 2yro s MET 97 Cb 0.00 0.15 0.02 0.00 -1.53 0.00 0.00 34.83 33.47 2yro s MET 97 CO 0.00 -0.26 0.51 -0.47 -2.03 0.00 0.00 175.02 172.78 2yro s TYR 98 N -3.99 3.14 -0.12 3.16 5.04 -1.26 -2.41 117.35 120.90 2yro s TYR 98 Ca 0.26 -0.17 0.02 0.00 -2.44 0.00 0.00 57.07 54.75 2yro s TYR 98 Cb 0.07 -3.04 -0.00 0.00 0.35 0.00 0.00 41.96 39.34 2yro s TYR 98 CO 0.04 -0.72 -0.19 -0.59 -1.34 0.00 0.00 175.55 172.75 2yro s PHE 99 N 2.40 2.69 -0.18 4.97 -0.12 -1.23 -4.89 117.98 121.62 2yro s PHE 99 Ca 0.17 -0.94 0.01 0.00 -0.05 0.00 0.00 56.93 56.12 2yro s PHE 99 Cb -0.16 -1.79 0.02 0.00 -0.63 0.00 0.00 43.02 40.46 2yro s PHE 99 CO 0.15 -0.38 -0.20 -2.00 -0.05 0.00 0.00 175.22 172.75 2yro s GLU 100 N 0.46 2.97 -0.16 1.99 -6.30 -1.26 -3.55 118.70 112.85 2yro s GLU 100 Ca -0.13 -0.82 -0.12 0.00 -2.50 0.00 0.00 54.97 51.39 2yro s GLU 100 Cb -0.17 -2.56 -0.05 0.00 0.00 0.00 0.00 34.13 31.36 2yro s GLU 100 CO 0.06 -0.21 0.24 1.41 0.02 0.00 0.00 175.26 176.78 2yro s MET 101 N 1.29 4.14 -0.28 4.30 -2.45 -1.10 -1.49 119.30 123.72 2yro s MET 101 Ca 0.05 0.01 0.01 0.00 -1.25 0.00 0.00 55.69 54.51 2yro s MET 101 Cb -0.13 -3.39 0.06 0.00 1.25 0.00 0.00 34.83 32.62 2yro s MET 101 CO -0.13 0.33 -0.07 0.42 1.05 0.00 0.00 175.02 176.63 2yro s ILE 102 N 0.21 2.50 -0.53 10.11 1.01 -0.31 -0.82 121.20 133.36 2yro s ILE 102 Ca 0.14 -1.54 -0.16 0.00 0.00 0.00 0.00 60.65 59.10 2yro s ILE 102 Cb -0.13 -2.45 0.12 0.00 0.01 0.00 0.00 42.46 40.01 2yro s ILE 102 CO 0.03 -0.06 0.49 -0.63 0.00 0.00 0.00 174.94 174.77 2yro s ILE 103 N 1.16 5.20 0.02 2.92 1.01 0.29 -2.59 121.20 129.20 2yro s ILE 103 Ca -0.08 -1.41 0.02 0.00 0.00 0.00 0.00 60.65 59.19 2yro s ILE 103 Cb -0.20 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 2yro s ILE 103 CO -0.03 -0.83 -0.01 -0.47 0.00 0.00 0.00 174.94 173.60 2yro s TYR 104 N 1.64 3.04 -0.18 3.97 5.04 -1.19 -1.27 117.35 128.41 2yro s TYR 104 Ca 0.03 0.05 -0.02 0.00 -2.44 0.00 0.00 57.07 54.70 2yro s TYR 104 Cb -0.29 -1.64 -0.01 0.00 0.35 0.00 0.00 41.96 40.38 2yro s TYR 104 CO 0.04 0.46 -0.11 0.00 -1.34 0.00 0.00 175.55 174.60 2yro n ASP 106 N 4.26 2.49 -1.87 0.00 -0.08 -1.25 0.22 116.55 120.32 2yro n ASP 106 Ca -0.19 -3.76 -0.09 0.00 -1.51 0.00 0.00 54.79 49.24 2yro n ASP 106 Cb 0.51 -0.63 -0.02 0.00 2.34 0.00 0.00 41.12 43.32 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 -1.11 -0.22 0.00 5.18 0.31 -1.26 -4.58 118.33 116.65 2yro n VAL 107 Ca 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.66 2yro n VAL 107 Cb 1.03 -1.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 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 -2.18 0.74 -3.91 5.55 5.12 -1.26 -5.12 116.66 115.61 2yro n ARG 108 Ca -0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 2yro n ARG 108 Cb 0.44 -0.66 0.01 0.00 -1.16 0.00 0.00 32.46 31.10 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 -1.31 0.78 -0.41 5.56 -1.05 -1.26 -3.79 118.70 117.22 2yro s GLU 109 Ca 0.00 -0.50 -0.15 0.00 -0.15 0.00 0.00 54.97 54.18 2yro s GLU 109 Cb 0.00 0.22 0.02 0.00 -0.44 0.00 0.00 34.13 33.93 2yro s GLU 109 CO 0.00 -0.36 0.29 -0.06 0.95 0.00 0.00 175.26 176.08 2yro s PHE 110 N -2.14 3.24 0.02 4.83 0.08 0.43 -3.90 117.98 120.54 2yro s PHE 110 Ca 0.25 -0.62 -0.13 0.00 0.12 0.00 0.00 56.93 56.55 2yro s PHE 110 Cb -0.01 -2.58 -0.06 0.00 -0.57 0.00 0.00 43.02 39.81 2yro s PHE 110 CO 0.02 -0.59 0.39 0.15 -0.10 0.00 0.00 175.22 175.08 2yro s LYS 111 N 1.67 3.84 -0.14 0.44 1.02 -1.15 -2.57 119.74 122.85 2yro s LYS 111 Ca 0.05 0.30 -0.04 0.00 0.02 0.00 0.00 55.97 56.31 2yro s LYS 111 Cb -0.19 -3.14 0.05 0.00 -0.52 0.00 0.00 37.83 34.03 2yro s LYS 111 CO 0.10 0.65 0.07 0.54 -0.92 0.00 0.00 175.35 175.79 2yro s VAL 112 N -1.18 0.05 -0.02 3.17 0.11 -1.26 -3.19 120.40 118.09 2yro s VAL 112 Ca 0.26 -0.09 0.03 0.00 -2.93 0.00 0.00 61.98 59.26 2yro s VAL 112 Cb -0.15 -0.56 -0.03 0.00 -1.53 0.00 0.00 36.38 34.10 2yro s VAL 112 CO 0.14 -0.13 -0.11 0.00 -3.33 0.00 0.00 175.10 171.68 2yro s ALA 113 N 2.08 2.85 -0.10 1.54 0.00 -1.07 -3.80 121.76 123.27 2yro s ALA 113 Ca 0.02 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.00 2yro s ALA 113 Cb -0.15 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 21.93 2yro s ALA 113 CO -0.07 0.58 -0.20 0.08 0.00 0.00 0.00 175.76 176.16 2yro s VAL 114 N -0.88 1.75 -1.31 0.00 1.01 0.29 -1.16 120.40 120.11 2yro s VAL 114 Ca 0.14 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.30 2yro s VAL 114 Cb -0.11 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.73 2yro s VAL 114 CO 0.04 0.49 0.00 0.59 0.00 0.00 0.00 175.10 176.22 2yro n ASN 115 N 3.76 -4.45 -0.16 3.32 3.02 -0.56 -1.96 115.26 118.23 2yro n ASN 115 Ca -0.20 0.12 -0.02 0.00 -0.03 0.00 0.00 54.58 54.45 2yro n ASN 115 Cb 0.52 -3.46 -0.01 0.00 -0.61 0.00 0.00 39.78 36.23 2yro n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yro n GLY 116 N -1.10 0.55 2.98 7.41 0.00 -1.26 -4.98 105.19 108.79 2yro n GLY 116 Ca -0.16 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.05 0.63 0.12 1.61 0.11 -0.83 -5.12 120.40 114.86 2yro s VAL 117 Ca 0.00 -0.29 -0.30 0.00 -2.93 0.00 0.00 61.98 58.46 2yro s VAL 117 Cb 0.00 -0.56 -0.07 0.00 -1.53 0.00 0.00 36.38 34.23 2yro s VAL 117 CO 0.00 0.20 1.18 -2.28 -3.33 0.00 0.00 175.10 170.87 2yro s HIS 118 N 0.12 3.46 -0.04 1.54 2.46 -1.26 -0.55 115.29 121.03 2yro s HIS 118 Ca -0.01 1.39 -0.06 0.00 0.47 0.00 0.00 55.06 56.84 2yro s HIS 118 Cb -0.07 -3.40 -0.02 0.00 -0.13 0.00 0.00 32.58 28.97 2yro s HIS 118 CO 0.00 -1.14 -0.13 0.43 -2.47 0.00 0.00 174.74 171.43 2yro n SER 119 N 3.27 1.02 -3.97 9.88 7.64 -1.25 -4.94 113.62 125.28 2yro n SER 119 Ca 0.07 0.16 -0.08 0.00 1.01 0.00 0.00 58.87 60.02 2yro n SER 119 Cb 0.46 -0.46 -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 -6.63 1.96 0.34 -3.43 -0.00 -1.26 -4.94 118.68 104.73 2yro s LEU 120 Ca -0.10 -0.71 0.09 0.00 -0.00 0.00 0.00 54.13 53.41 2yro s LEU 120 Cb 0.01 0.54 -0.05 0.00 -0.00 0.00 0.00 46.19 46.69 2yro s LEU 120 CO 0.15 -0.57 0.04 -1.61 -0.00 0.00 0.00 176.35 174.36 2yro s GLU 121 N -3.24 2.14 -0.22 1.48 2.02 -1.26 -4.02 118.70 115.60 2yro s GLU 121 Ca 0.00 -1.71 -0.04 0.00 0.02 0.00 0.00 54.97 53.25 2yro s GLU 121 Cb 0.03 -1.98 0.11 0.00 0.10 0.00 0.00 34.13 32.39 2yro s GLU 121 CO -0.08 0.13 0.35 -0.47 0.02 0.00 0.00 175.26 175.21 2yro s TYR 122 N -2.50 -0.70 0.51 1.61 5.04 -1.06 -5.06 117.35 115.19 2yro s TYR 122 Ca 0.35 0.88 -0.20 0.00 -2.44 0.00 0.00 57.07 55.67 2yro s TYR 122 Cb -0.01 0.01 -0.10 0.00 0.35 0.00 0.00 41.96 42.22 2yro s TYR 122 CO 0.20 -0.62 0.64 1.63 -1.34 0.00 0.00 175.55 176.06 2yro n LYS 123 N 5.36 0.69 -1.56 4.97 4.01 -1.26 -0.43 118.16 129.95 2yro n LYS 123 Ca -0.05 0.26 -0.13 0.00 -0.51 0.00 0.00 58.31 57.87 2yro n LYS 123 Cb 0.50 -1.73 -0.08 0.00 -0.51 0.00 0.00 35.03 33.20 2yro n LYS 123 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2yro n HIS 124 N -1.27 1.07 -0.03 2.13 8.25 -1.25 -4.49 115.22 119.63 2yro n HIS 124 Ca 0.11 -0.04 -0.13 0.00 -0.26 0.00 0.00 57.72 57.41 2yro n HIS 124 Cb 0.44 -2.51 -0.08 0.00 1.12 0.00 0.00 29.99 28.96 2yro n HIS 124 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2yro h ARG 125 N 12.46 0.14 -6.14 -0.41 3.08 -1.89 -3.40 114.38 118.21 2yro h ARG 125 Ca 0.00 -0.06 -0.59 0.00 0.07 0.00 0.00 59.98 59.40 2yro h ARG 125 Cb 1.01 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.95 2yro h ARG 125 CO 1.03 0.49 0.69 0.12 -1.07 0.00 0.00 179.97 181.23 2yro s PHE 126 N -4.65 2.78 0.13 3.04 5.36 -1.26 -4.92 117.98 118.45 2yro s PHE 126 Ca -0.15 0.22 -0.21 0.00 -0.96 0.00 0.00 56.93 55.83 2yro s PHE 126 Cb 0.04 -4.17 -0.03 0.00 -0.34 0.00 0.00 43.02 38.52 2yro s PHE 126 CO 0.70 -1.34 1.69 0.87 -1.46 0.00 0.00 175.22 175.67 2yro h LYS 127 N 9.31 -0.08 -6.19 10.12 6.56 -2.01 -3.38 116.57 130.90 2yro h LYS 127 Ca -0.25 0.01 -0.55 0.00 -1.06 0.00 0.00 60.65 58.79 2yro h LYS 127 Cb 1.07 0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 32.72 2yro h LYS 127 CO 1.10 -0.05 1.29 -2.00 -2.06 0.00 0.00 179.45 177.73 2yro s GLU 128 N -6.18 3.14 -0.07 3.15 2.56 -1.26 -4.82 118.70 115.22 2yro s GLU 128 Ca -0.14 1.20 0.08 0.00 0.00 0.00 0.00 54.97 56.11 2yro s GLU 128 Cb 0.10 -4.24 -0.24 0.00 2.00 0.00 0.00 34.13 31.75 2yro s GLU 128 CO 0.68 -2.10 0.58 1.28 -0.56 0.00 0.00 175.26 175.14 2yro n LEU 129 N 10.96 1.26 -1.05 2.70 4.77 -1.26 -3.98 117.00 130.41 2yro n LEU 129 Ca 0.22 0.36 -0.02 0.00 -0.03 0.00 0.00 56.01 56.54 2yro n LEU 129 Cb 0.48 -0.12 0.06 0.00 -2.33 0.00 0.00 43.42 41.51 2yro n LEU 129 CO 0.69 0.50 0.54 -1.20 -1.33 0.00 0.00 177.39 176.59 2yro n SER 130 N -3.14 2.64 -0.07 -1.43 7.64 -1.25 -3.52 113.62 114.49 2yro n SER 130 Ca -0.21 -2.27 -0.08 0.00 1.01 0.00 0.00 58.87 57.32 2yro n SER 130 Cb 1.05 -0.56 -0.08 0.00 -1.01 0.00 0.00 64.21 63.62 2yro n SER 130 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yro n SER 131 N 0.15 2.55 -4.56 6.43 2.88 -1.26 -4.80 113.62 115.02 2yro n SER 131 Ca 0.09 -0.04 -0.28 0.00 -1.33 0.00 0.00 58.87 57.31 2yro n SER 131 Cb 0.61 0.23 -0.05 0.00 -0.75 0.00 0.00 64.21 64.25 2yro n SER 131 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2yro s ILE 132 N -2.29 3.18 -0.13 2.46 1.01 -1.23 -4.00 121.20 120.20 2yro s ILE 132 Ca -0.13 -0.04 0.15 0.00 0.00 0.00 0.00 60.65 60.62 2yro s ILE 132 Cb 0.04 -3.43 0.30 0.00 0.01 0.00 0.00 42.46 39.39 2yro s ILE 132 CO 0.40 -0.41 1.15 -0.67 0.00 0.00 0.00 174.94 175.41 2yro n ASP 133 N 15.68 1.83 -3.90 3.58 2.03 -1.26 -2.21 116.55 132.31 2yro n ASP 133 Ca 0.37 -3.12 -0.11 0.00 0.52 0.00 0.00 54.79 52.45 2yro n ASP 133 Cb 0.49 -0.42 -0.11 0.00 -0.72 0.00 0.00 41.12 40.36 2yro n ASP 133 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2yro s THR 134 N -2.48 0.08 -0.22 5.18 2.01 -1.18 -2.89 115.64 116.13 2yro s THR 134 Ca 0.30 -0.63 -0.03 0.00 0.31 0.00 0.00 61.69 61.63 2yro s THR 134 Cb 0.28 -0.32 0.07 0.00 0.01 0.00 0.00 72.50 72.54 2yro s THR 134 CO -0.01 -0.35 0.07 -0.22 -0.69 0.00 0.00 174.62 173.42 2yro s LEU 135 N -1.14 1.01 -0.26 4.42 2.96 -0.83 -3.82 118.68 121.01 2yro s LEU 135 Ca -0.12 -0.96 -0.05 0.00 -0.22 0.00 0.00 54.13 52.78 2yro s LEU 135 Cb -0.07 -0.50 0.00 0.00 0.50 0.00 0.00 46.19 46.12 2yro s LEU 135 CO 0.00 -0.35 0.02 -1.61 -1.32 0.00 0.00 176.35 173.09 2yro s GLU 136 N 1.93 3.17 -0.05 1.98 2.02 -0.91 -2.39 118.70 124.46 2yro s GLU 136 Ca 0.03 -0.78 0.06 0.00 0.02 0.00 0.00 54.97 54.29 2yro s GLU 136 Cb -0.17 -3.20 -0.01 0.00 0.10 0.00 0.00 34.13 30.85 2yro s GLU 136 CO -0.15 -0.35 -0.22 0.42 0.02 0.00 0.00 175.26 174.98 2yro s ILE 137 N 1.47 1.79 -0.00 -1.63 1.01 0.36 -1.10 121.20 123.11 2yro s ILE 137 Ca 0.03 -0.93 -0.15 0.00 0.00 0.00 0.00 60.65 59.61 2yro s ILE 137 Cb -0.16 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 40.81 2yro s ILE 137 CO -0.00 0.50 0.31 0.21 0.00 0.00 0.00 174.94 175.96 2yro s ASN 138 N -0.16 -0.18 0.00 3.58 3.84 -0.84 0.57 114.94 121.75 2yro s ASN 138 Ca -0.01 0.04 0.00 0.00 0.21 0.00 0.00 52.86 53.09 2yro s ASN 138 Cb -0.12 0.32 0.00 0.00 -0.55 0.00 0.00 41.25 40.90 2yro s ASN 138 CO 0.02 -0.47 0.00 0.61 -2.79 0.00 0.00 177.10 174.47 2yro n GLY 139 N 1.16 -0.11 2.24 1.21 0.00 -1.26 -0.86 105.19 107.57 2yro n GLY 139 Ca -0.21 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 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 6.73 -4.49 1.61 9.92 -1.16 -4.98 116.55 124.18 2yro n ASP 140 Ca 0.00 -3.78 -0.25 0.00 -0.53 0.00 0.00 54.79 50.24 2yro n ASP 140 Cb 0.00 -0.76 -0.10 0.00 -0.64 0.00 0.00 41.12 39.62 2yro n ASP 140 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 2yro s ILE 141 N -4.77 2.61 -0.31 0.53 -5.25 -1.26 -4.00 121.20 108.76 2yro s ILE 141 Ca 0.60 -2.24 -0.11 0.00 -0.99 0.00 0.00 60.65 57.91 2yro s ILE 141 Cb 0.47 -2.35 -0.03 0.00 2.95 0.00 0.00 42.46 43.51 2yro s ILE 141 CO -0.01 -0.33 0.20 -2.28 -1.79 0.00 0.00 174.94 170.73 2yro s HIS 142 N -2.28 3.21 -0.25 1.37 5.65 -0.72 -4.91 115.29 117.35 2yro s HIS 142 Ca 0.28 -0.20 -0.24 0.00 0.25 0.00 0.00 55.06 55.16 2yro s HIS 142 Cb -0.06 -2.41 -0.01 0.00 -1.18 0.00 0.00 32.58 28.93 2yro s HIS 142 CO 0.15 -0.32 0.80 -1.17 -0.65 0.00 0.00 174.74 173.55 2yro s LEU 143 N 1.70 4.08 -0.12 8.88 2.96 -1.26 -1.72 118.68 133.20 2yro s LEU 143 Ca 0.06 0.96 -0.05 0.00 -0.22 0.00 0.00 54.13 54.88 2yro s LEU 143 Cb -0.17 -3.14 -0.03 0.00 0.50 0.00 0.00 46.19 43.35 2yro s LEU 143 CO 0.09 -0.51 0.00 -0.07 -1.32 0.00 0.00 176.35 174.55 2yro h LEU 144 N 9.19 0.00 -7.00 -0.68 3.38 -1.78 -3.32 115.31 115.10 2yro h LEU 144 Ca -0.24 -0.08 0.14 0.00 0.09 0.00 0.00 57.88 57.80 2yro h LEU 144 Cb 1.10 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.63 2yro h LEU 144 CO 0.86 0.64 0.65 -0.70 0.09 0.00 0.00 178.44 179.98 2yro s GLU 145 N -1.82 0.50 0.06 1.13 2.56 -1.12 -4.55 118.70 115.45 2yro s GLU 145 Ca -0.06 0.00 0.02 0.00 0.00 0.00 0.00 54.97 54.93 2yro s GLU 145 Cb 0.01 0.23 -0.04 0.00 2.00 0.00 0.00 34.13 36.33 2yro s GLU 145 CO 0.13 -0.18 0.08 0.08 -0.56 0.00 0.00 175.26 174.81 2yro s VAL 146 N -1.68 4.61 -0.03 3.70 1.01 -1.26 -2.85 120.40 123.90 2yro s VAL 146 Ca 0.03 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 2yro s VAL 146 Cb -0.01 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.19 2yro s VAL 146 CO -0.03 0.18 0.07 -0.13 0.00 0.00 0.00 175.10 175.20 2yro s ARG 147 N -2.23 0.08 -0.23 2.72 1.81 -1.05 -5.03 118.95 115.03 2yro s ARG 147 Ca 0.28 0.10 -0.03 0.00 -1.72 0.00 0.00 55.73 54.36 2yro s ARG 147 Cb -0.12 0.04 0.12 0.00 -0.45 0.00 0.00 34.95 34.54 2yro s ARG 147 CO 0.20 -0.01 0.34 -1.54 -0.68 0.00 0.00 175.30 173.61 2yro s SER 148 N 0.05 0.47 0.02 0.23 1.04 -1.26 -0.59 113.70 113.66 2yro s SER 148 Ca -0.00 0.15 0.07 0.00 0.48 0.00 0.00 55.95 56.65 2yro s SER 148 Cb -0.01 0.96 -0.02 0.00 0.10 0.00 0.00 66.02 67.06 2yro s SER 148 CO 0.00 -0.30 -0.21 -1.66 0.98 0.00 0.00 173.24 172.05 2yro s TRP 149 N 2.50 1.86 -0.13 5.02 -2.14 -1.03 -4.99 118.94 120.03 2yro s TRP 149 Ca 0.11 -0.37 -0.24 0.00 2.66 0.00 0.00 56.10 58.27 2yro s TRP 149 Cb -0.15 -1.15 -0.21 0.00 -3.10 0.00 0.00 33.47 28.86 2yro s TRP 149 CO -0.15 0.04 0.62 1.03 -2.66 0.00 0.00 176.95 175.84 2yro h SER 150 N 5.17 0.00 0.00 -2.66 0.87 -1.87 -3.16 113.55 111.89 2yro h SER 150 Ca -0.41 -0.81 0.00 0.00 -1.23 0.00 0.00 61.79 59.33 2yro h SER 150 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2yro h SER 150 CO 0.45 0.92 0.00 0.61 -0.53 0.00 0.00 176.83 178.28 2yro n GLY 151 N 1.64 1.10 3.28 5.77 0.00 -1.26 -4.77 105.19 110.94 2yro n GLY 151 Ca -0.09 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 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 1.52 -3.01 -1.14 1.61 -0.04 -1.26 -4.95 135.00 127.74 2yro n PRO 152 Ca 0.00 -1.64 -0.37 0.00 -0.04 0.00 0.00 63.50 61.45 2yro n PRO 152 Cb 0.00 -1.53 0.03 0.00 -0.04 0.00 0.00 33.50 31.96 2yro n PRO 152 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2yro n SER 153 N -4.75 -4.35 -4.77 3.54 3.41 -1.26 -4.84 113.62 100.61 2yro n SER 153 Ca 0.14 0.45 -0.40 0.00 -0.26 0.00 0.00 58.87 58.81 2yro n SER 153 Cb 0.55 -0.86 -0.01 0.00 -0.26 0.00 0.00 64.21 63.63 2yro n SER 153 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yro s SER 154 N -1.07 6.37 0.00 4.04 1.04 -1.26 -5.10 113.70 117.72 2yro s SER 154 Ca 0.51 2.66 0.27 0.00 0.48 0.00 0.00 55.95 59.87 2yro s SER 154 Cb -0.35 -2.64 1.63 0.00 0.10 0.00 0.00 66.02 64.76 2yro s SER 154 CO 0.72 -0.81 1.97 0.61 0.98 0.00 0.00 173.24 176.71