#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 1.07 -3.61 1.61 2.88 -1.26 -5.13 113.62 109.19 2yro n SER 2 Ca 0.00 0.15 -0.08 0.00 -1.33 0.00 0.00 58.87 57.61 2yro n SER 2 Cb 0.00 -0.37 -0.06 0.00 -0.75 0.00 0.00 64.21 63.03 2yro n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yro s SER 3 N -5.76 -0.29 0.02 -3.46 0.15 -1.26 -5.18 113.70 97.92 2yro s SER 3 Ca -0.05 0.40 0.04 0.00 0.70 0.00 0.00 55.95 57.03 2yro s SER 3 Cb 0.01 0.35 -0.02 0.00 -1.71 0.00 0.00 66.02 64.65 2yro s SER 3 CO 0.08 -0.21 -0.11 -0.83 1.20 0.00 0.00 173.24 173.37 2yro s GLY 4 N -0.70 0.61 0.21 9.45 0.00 -1.26 -4.96 107.32 110.67 2yro s GLY 4 Ca 0.02 -0.66 0.04 0.00 0.00 0.00 0.00 44.72 44.13 2yro s GLY 4 CO -0.04 -0.63 0.33 -0.45 0.00 0.00 0.00 173.10 172.31 2yro s SER 5 N -0.89 6.30 0.26 1.64 0.15 -1.26 -5.11 113.70 114.78 2yro s SER 5 Ca 0.00 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2yro s SER 5 Cb -0.07 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.34 2yro s SER 5 CO 0.01 -0.02 0.45 -0.44 1.20 0.00 0.00 173.24 174.43 2yro s SER 6 N -3.70 6.35 -0.20 5.45 0.01 -1.26 -4.85 113.70 115.49 2yro s SER 6 Ca 0.34 0.39 -0.17 0.00 1.31 0.00 0.00 55.95 57.82 2yro s SER 6 Cb -0.10 -2.00 0.06 0.00 0.21 0.00 0.00 66.02 64.19 2yro s SER 6 CO 0.29 -0.14 0.53 -0.83 0.41 0.00 0.00 173.24 173.49 2yro s GLY 7 N -3.59 -0.42 0.05 3.44 0.00 -1.26 -4.99 107.32 100.55 2yro s GLY 7 Ca 0.39 1.63 -0.01 0.00 0.00 0.00 0.00 44.72 46.72 2yro s GLY 7 CO 0.31 1.51 0.04 -1.55 0.00 0.00 0.00 173.10 173.41 2yro n PRO 8 N 3.25 -1.10 -3.71 2.90 -0.04 -1.26 -5.03 135.00 130.01 2yro n PRO 8 Ca -0.16 -0.07 -0.28 0.00 -0.04 0.00 0.00 63.50 62.95 2yro n PRO 8 Cb 0.56 -0.06 -0.12 0.00 -0.04 0.00 0.00 33.50 33.85 2yro n PRO 8 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2yro s LYS 9 N -3.09 1.77 0.32 0.54 0.00 -1.26 -4.97 119.74 113.05 2yro s LYS 9 Ca 0.03 -2.74 0.07 0.00 0.00 0.00 0.00 55.97 53.33 2yro s LYS 9 Cb -0.00 -2.61 0.90 0.00 0.00 0.00 0.00 37.83 36.12 2yro s LYS 9 CO 0.02 -1.30 1.53 -1.13 0.00 0.00 0.00 175.35 174.47 2yro n SER 10 N 2.51 0.01 0.00 0.03 3.41 -1.26 -4.83 113.62 113.49 2yro n SER 10 Ca 0.21 1.64 0.00 0.00 -0.26 0.00 0.00 58.87 60.46 2yro n SER 10 Cb 0.39 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 2yro n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yro n GLY 11 N -1.43 3.46 2.58 5.00 0.00 -1.26 -5.10 105.19 108.45 2yro n GLY 11 Ca 0.27 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 -1.08 2.61 -2.24 -1.26 -4.92 114.28 107.39 2yro n THR 12 Ca 0.00 -0.40 -0.30 0.00 -2.27 0.00 0.00 64.05 61.07 2yro n THR 12 Cb 0.00 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 68.47 2yro n THR 12 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2yro s PRO 13 N -0.98 -1.33 0.31 -0.78 0.04 -1.26 -5.06 135.00 125.94 2yro s PRO 13 Ca 0.43 -0.11 0.09 0.00 0.04 0.00 0.00 61.00 61.45 2yro s PRO 13 Cb -0.35 -1.59 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2yro s PRO 13 CO 0.56 -3.77 -0.11 -0.65 0.04 0.00 0.00 177.00 173.07 2yro s GLN 14 N -5.44 1.71 0.52 4.56 1.11 -1.25 -4.58 119.66 116.29 2yro s GLN 14 Ca 0.71 -1.86 0.06 0.00 0.01 0.00 0.00 55.36 54.28 2yro s GLN 14 Cb -0.09 -1.56 0.06 0.00 -1.01 0.00 0.00 33.01 30.41 2yro s GLN 14 CO 0.56 0.15 0.47 1.28 0.01 0.00 0.00 175.29 177.76 2yro n LEU 15 N -0.70 0.00 -4.14 2.90 4.77 -1.00 -5.02 117.00 113.80 2yro n LEU 15 Ca -0.05 -2.59 -0.20 0.00 -0.03 0.00 0.00 56.01 53.14 2yro n LEU 15 Cb 0.63 -0.13 -0.13 0.00 -2.33 0.00 0.00 43.42 41.46 2yro n LEU 15 CO 0.41 -0.60 -0.46 -0.44 -1.33 0.00 0.00 177.39 174.97 2yro s SER 16 N -4.09 1.64 0.10 -1.43 0.01 -1.26 -4.65 113.70 104.01 2yro s SER 16 Ca 0.36 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 57.19 2yro s SER 16 Cb -0.03 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 2yro s SER 16 CO 0.23 0.03 0.20 -0.76 0.41 0.00 0.00 173.24 173.35 2yro s LEU 17 N -1.11 4.19 0.21 2.44 1.43 -1.26 -3.25 118.68 121.33 2yro s LEU 17 Ca 0.01 0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.96 2yro s LEU 17 Cb -0.08 -2.80 -0.09 0.00 0.03 0.00 0.00 46.19 43.26 2yro s LEU 17 CO 0.01 0.12 1.30 -2.16 0.23 0.00 0.00 176.35 175.85 2yro s PRO 18 N -2.78 4.40 -0.77 1.29 0.04 -1.26 -5.10 135.00 130.82 2yro s PRO 18 Ca 0.33 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 63.20 2yro s PRO 18 Cb -0.12 -3.19 0.08 0.00 0.04 0.00 0.00 34.50 31.31 2yro s PRO 18 CO 0.27 -0.22 1.08 0.12 0.04 0.00 0.00 177.00 178.28 2yro s PHE 19 N -0.02 2.73 -0.34 0.56 5.36 0.16 -4.94 117.98 121.49 2yro s PHE 19 Ca 0.55 -0.73 0.04 0.00 -0.96 0.00 0.00 56.93 55.83 2yro s PHE 19 Cb -0.36 -4.36 0.10 0.00 -0.34 0.00 0.00 43.02 38.05 2yro s PHE 19 CO 0.39 -1.68 0.04 0.00 -1.46 0.00 0.00 175.22 172.52 2yro s ALA 20 N 3.98 2.88 0.05 11.12 0.00 -1.26 -1.27 121.76 137.26 2yro s ALA 20 Ca 0.28 -2.47 -0.07 0.00 0.00 0.00 0.00 51.96 49.70 2yro s ALA 20 Cb -0.12 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.04 2yro s ALA 20 CO 0.04 -1.65 0.12 0.00 0.00 0.00 0.00 175.76 174.27 2yro s ALA 21 N 0.93 -0.10 -0.11 0.00 0.00 -1.24 -5.04 121.76 116.20 2yro s ALA 21 Ca 0.09 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.44 2yro s ALA 21 Cb -0.19 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 2yro s ALA 21 CO -0.08 -0.38 -0.02 -0.98 0.00 0.00 0.00 175.76 174.30 2yro s ARG 22 N -3.07 3.22 0.25 0.00 1.70 -1.26 -1.75 118.95 118.04 2yro s ARG 22 Ca -0.01 -0.46 -0.30 0.00 -0.47 0.00 0.00 55.73 54.49 2yro s ARG 22 Cb 0.01 -2.82 -0.09 0.00 -0.57 0.00 0.00 34.95 31.48 2yro s ARG 22 CO -0.07 0.53 1.23 -0.51 -1.08 0.00 0.00 175.30 175.40 2yro s LEU 23 N -0.41 4.46 0.43 -1.89 1.43 0.65 -4.88 118.68 118.47 2yro s LEU 23 Ca 0.07 2.41 0.31 0.00 -1.03 0.00 0.00 54.13 55.89 2yro s LEU 23 Cb -0.12 -3.62 1.46 0.00 0.03 0.00 0.00 46.19 43.94 2yro s LEU 23 CO 0.02 -0.39 1.55 -3.20 0.23 0.00 0.00 176.35 174.56 2yro n ASN 24 N 1.72 0.23 -4.09 2.29 2.85 -1.26 -4.42 115.26 112.58 2yro n ASN 24 Ca 0.02 1.42 -0.11 0.00 -0.11 0.00 0.00 54.58 55.80 2yro n ASN 24 Cb 0.43 -0.70 -0.11 0.00 1.24 0.00 0.00 39.78 40.65 2yro n ASN 24 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2yro s THR 25 N -5.28 0.50 -0.02 -0.44 -4.23 -1.26 -5.13 115.64 99.79 2yro s THR 25 Ca -0.08 -1.45 -0.30 0.00 -1.18 0.00 0.00 61.69 58.69 2yro s THR 25 Cb 0.31 -1.05 -0.05 0.00 1.34 0.00 0.00 72.50 73.05 2yro s THR 25 CO 0.81 -0.64 1.46 -2.16 -0.54 0.00 0.00 174.62 173.54 2yro s PRO 26 N -2.64 4.25 0.78 3.99 0.04 -1.26 -4.84 135.00 135.31 2yro s PRO 26 Ca -0.01 2.01 -0.13 0.00 0.04 0.00 0.00 61.00 62.91 2yro s PRO 26 Cb -0.02 -3.67 0.18 0.00 0.04 0.00 0.00 34.50 31.03 2yro s PRO 26 CO -0.03 -0.66 0.91 0.00 0.04 0.00 0.00 177.00 177.27 2yro n MET 27 N 5.85 -1.50 0.00 4.56 0.00 0.28 -4.89 117.12 121.43 2yro n MET 27 Ca 0.14 -1.42 0.00 0.00 0.00 0.00 0.00 57.70 56.42 2yro n MET 27 Cb 0.43 -1.07 0.00 0.00 0.00 0.00 0.00 33.22 32.59 2yro n MET 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2yro n GLY 28 N -1.84 -0.77 3.77 3.17 0.00 -1.23 -3.69 105.19 104.59 2yro n GLY 28 Ca 0.12 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.03 3.93 0.00 1.61 0.04 -1.26 -3.02 135.00 135.26 2yro s PRO 29 Ca 0.00 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.88 2yro s PRO 29 Cb 0.00 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2yro s PRO 29 CO 0.00 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.02 2yro n GLY 30 N 0.56 2.86 3.81 0.56 0.00 0.58 -4.97 105.19 108.60 2yro n GLY 30 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2yro n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yro s ARG 31 N -0.04 3.41 -0.21 1.61 1.81 -1.17 -3.49 118.95 120.88 2yro s ARG 31 Ca 0.00 1.13 -0.02 0.00 -1.72 0.00 0.00 55.73 55.11 2yro s ARG 31 Cb 0.00 -2.05 0.06 0.00 -0.45 0.00 0.00 34.95 32.51 2yro s ARG 31 CO 0.00 -0.73 0.03 0.99 -0.68 0.00 0.00 175.30 174.91 2yro s THR 32 N -2.55 0.65 -0.34 0.02 2.01 -0.78 -3.13 115.64 111.52 2yro s THR 32 Ca 0.62 -0.69 -0.09 0.00 0.31 0.00 0.00 61.69 61.84 2yro s THR 32 Cb -0.15 -1.16 0.01 0.00 0.01 0.00 0.00 72.50 71.22 2yro s THR 32 CO 0.38 -0.23 0.16 -0.69 -0.69 0.00 0.00 174.62 173.54 2yro s VAL 33 N 1.79 4.40 -0.03 3.82 1.01 -0.76 -2.57 120.40 128.07 2yro s VAL 33 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2yro s VAL 33 Cb -0.17 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2yro s VAL 33 CO -0.09 -0.08 0.01 0.68 0.00 0.00 0.00 175.10 175.62 2yro s VAL 34 N 1.55 4.27 -0.36 2.92 -7.23 -0.78 -0.86 120.40 119.90 2yro s VAL 34 Ca 0.03 -0.47 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 2yro s VAL 34 Cb -0.18 -2.88 0.10 0.00 0.56 0.00 0.00 36.38 33.98 2yro s VAL 34 CO 0.05 0.44 0.11 -0.69 -0.31 0.00 0.00 175.10 174.70 2yro s VAL 35 N -1.04 2.80 -0.34 1.32 1.01 0.20 -2.98 120.40 121.37 2yro s VAL 35 Ca 0.18 -2.09 -0.21 0.00 0.00 0.00 0.00 61.98 59.86 2yro s VAL 35 Cb -0.12 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.34 2yro s VAL 35 CO 0.08 -0.57 0.67 -0.54 0.00 0.00 0.00 175.10 174.75 2yro s LYS 36 N 1.05 3.76 0.11 2.72 1.02 -1.02 -2.79 119.74 124.59 2yro s LYS 36 Ca 0.07 0.19 -0.03 0.00 0.02 0.00 0.00 55.97 56.22 2yro s LYS 36 Cb -0.21 -3.78 0.01 0.00 -0.52 0.00 0.00 37.83 33.33 2yro s LYS 36 CO -0.05 -0.71 0.20 0.41 -0.92 0.00 0.00 175.35 174.27 2yro n GLY 37 N 4.56 2.12 3.08 -3.33 0.00 -1.18 -1.82 105.19 108.62 2yro n GLY 37 Ca -0.00 -1.22 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.11 0.23 0.39 1.61 2.02 -0.87 -2.71 118.70 117.26 2yro s GLU 38 Ca 0.06 0.51 -0.23 0.00 0.02 0.00 0.00 54.97 55.33 2yro s GLU 38 Cb -0.01 -0.07 -0.10 0.00 0.10 0.00 0.00 34.13 34.05 2yro s GLU 38 CO 0.04 -0.14 0.98 0.08 0.02 0.00 0.00 175.26 176.25 2yro s VAL 39 N 1.07 4.10 0.40 2.63 1.01 0.10 -1.43 120.40 128.28 2yro s VAL 39 Ca -0.08 1.52 -0.18 0.00 0.00 0.00 0.00 61.98 63.24 2yro s VAL 39 Cb -0.09 -3.74 -0.10 0.00 0.00 0.00 0.00 36.38 32.46 2yro s VAL 39 CO -0.07 -0.08 0.86 0.20 0.00 0.00 0.00 175.10 176.01 2yro s ASN 40 N -1.82 6.82 0.26 3.32 0.01 -1.24 -0.37 114.94 121.92 2yro s ASN 40 Ca 0.58 1.49 -0.05 0.00 -0.71 0.00 0.00 52.86 54.16 2yro s ASN 40 Cb -0.16 -2.46 0.31 0.00 0.41 0.00 0.00 41.25 39.35 2yro s ASN 40 CO 0.21 -0.33 1.92 0.00 -1.51 0.00 0.00 177.10 177.39 2yro h ALA 41 N 1.89 1.29 -0.69 0.60 0.00 -1.91 -2.37 119.26 118.07 2yro h ALA 41 Ca -0.48 -0.09 -0.41 0.00 0.00 0.00 0.00 54.91 53.93 2yro h ALA 41 Cb 1.18 -0.36 -0.24 0.00 0.00 0.00 0.00 17.79 18.37 2yro h ALA 41 CO 0.63 0.62 0.18 0.27 0.00 0.00 0.00 179.25 180.95 2yro n ASN 42 N -4.37 4.11 -4.71 0.00 6.94 -1.26 -4.69 115.26 111.29 2yro n ASN 42 Ca 0.10 -3.75 -0.41 0.00 -0.02 0.00 0.00 54.58 50.51 2yro n ASN 42 Cb 0.05 -0.71 -0.04 0.00 -2.36 0.00 0.00 39.78 36.72 2yro n ASN 42 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2yro s ALA 43 N -3.43 3.30 -0.02 -2.53 0.00 -0.93 -4.98 121.76 113.17 2yro s ALA 43 Ca 0.52 0.25 -0.21 0.00 0.00 0.00 0.00 51.96 52.53 2yro s ALA 43 Cb 0.45 -3.12 -0.13 0.00 0.00 0.00 0.00 23.12 20.31 2yro s ALA 43 CO 0.03 -0.23 0.91 1.57 0.00 0.00 0.00 175.76 178.04 2yro h LYS 44 N 6.86 -0.53 -1.20 0.00 2.10 -1.90 -3.48 116.57 118.42 2yro h LYS 44 Ca -0.39 0.04 0.22 0.00 -2.00 0.00 0.00 60.65 58.51 2yro h LYS 44 Cb 1.19 0.12 -0.25 0.00 -0.90 0.00 0.00 32.23 32.39 2yro h LYS 44 CO 0.77 -0.24 0.86 -1.54 -2.00 0.00 0.00 179.45 177.29 2yro s SER 45 N -4.96 -0.11 0.45 7.07 1.04 -1.26 -3.89 113.70 112.05 2yro s SER 45 Ca -0.12 0.10 0.06 0.00 0.48 0.00 0.00 55.95 56.47 2yro s SER 45 Cb 0.01 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 2yro s SER 45 CO 0.39 -0.12 0.11 0.72 0.98 0.00 0.00 173.24 175.32 2yro s PHE 46 N -1.28 2.31 0.00 5.02 -0.71 -1.26 -2.93 117.98 119.14 2yro s PHE 46 Ca 0.07 -0.73 -0.20 0.00 -1.04 0.00 0.00 56.93 55.03 2yro s PHE 46 Cb -0.01 -1.82 0.04 0.00 -1.21 0.00 0.00 43.02 40.02 2yro s PHE 46 CO -0.05 0.21 0.45 0.54 -1.34 0.00 0.00 175.22 175.03 2yro s ASN 47 N -3.87 -0.35 -0.26 1.98 4.22 -0.01 -3.02 114.94 113.62 2yro s ASN 47 Ca 0.30 0.21 -0.02 0.00 -2.14 0.00 0.00 52.86 51.20 2yro s ASN 47 Cb 0.05 0.42 0.09 0.00 1.28 0.00 0.00 41.25 43.08 2yro s ASN 47 CO 0.16 -0.59 0.08 -0.69 -2.04 0.00 0.00 177.10 174.03 2yro s VAL 48 N -1.81 0.53 -0.36 3.54 1.01 0.83 -2.27 120.40 121.87 2yro s VAL 48 Ca -0.09 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 60.76 2yro s VAL 48 Cb -0.02 -1.28 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 2yro s VAL 48 CO 0.03 -0.53 0.48 -1.81 0.00 0.00 0.00 175.10 173.27 2yro s ASP 49 N 1.81 6.28 -0.40 3.32 1.01 -0.59 -2.08 116.67 126.02 2yro s ASP 49 Ca 0.06 -0.16 -0.10 0.00 0.71 0.00 0.00 52.55 53.06 2yro s ASP 49 Cb -0.17 -2.25 0.06 0.00 1.01 0.00 0.00 42.92 41.57 2yro s ASP 49 CO -0.22 -0.48 0.24 -0.22 0.21 0.00 0.00 175.17 174.71 2yro s LEU 50 N 2.31 4.98 0.45 1.23 2.96 -0.98 -1.74 118.68 127.90 2yro s LEU 50 Ca 0.17 -1.28 0.04 0.00 -0.22 0.00 0.00 54.13 52.84 2yro s LEU 50 Cb -0.16 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 2yro s LEU 50 CO 0.13 -0.48 0.02 -1.48 -1.32 0.00 0.00 176.35 173.22 2yro s LEU 51 N 1.49 2.47 -0.30 -0.68 0.05 -1.18 -0.68 118.68 119.85 2yro s LEU 51 Ca 0.02 -1.54 -0.06 0.00 0.05 0.00 0.00 54.13 52.61 2yro s LEU 51 Cb -0.21 -0.71 0.02 0.00 -2.05 0.00 0.00 46.19 43.23 2yro s LEU 51 CO 0.04 -0.70 0.07 0.00 -0.55 0.00 0.00 176.35 175.21 2yro s ALA 52 N -2.88 3.01 0.47 1.48 0.00 0.04 -3.04 121.76 120.85 2yro s ALA 52 Ca 0.20 -1.52 0.31 0.00 0.00 0.00 0.00 51.96 50.95 2yro s ALA 52 Cb 0.05 -2.12 1.40 0.00 0.00 0.00 0.00 23.12 22.45 2yro s ALA 52 CO 0.10 -1.00 1.72 0.78 0.00 0.00 0.00 175.76 177.36 2yro h GLY 53 N 8.20 0.75 -0.12 0.00 0.00 -1.84 1.55 103.07 111.62 2yro h GLY 53 Ca -0.30 -0.10 0.03 0.00 0.00 0.00 0.00 47.33 46.96 2yro h GLY 53 CO 0.60 -0.16 -0.50 1.70 0.00 0.00 0.00 176.54 178.18 2yro h LYS 54 N 0.15 -0.52 0.00 4.80 1.63 -1.94 -3.17 116.57 117.52 2yro h LYS 54 Ca 0.69 0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.51 2yro h LYS 54 Cb 2.28 0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 33.99 2yro h LYS 54 CO -0.22 -0.35 -0.46 0.45 -3.45 0.00 0.00 179.45 175.42 2yro n SER 55 N -5.20 1.72 -3.62 4.20 2.88 -0.54 -4.98 113.62 108.08 2yro n SER 55 Ca -0.06 -3.56 -0.24 0.00 -1.33 0.00 0.00 58.87 53.68 2yro n SER 55 Cb 0.35 -0.49 -0.06 0.00 -0.75 0.00 0.00 64.21 63.26 2yro n SER 55 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2yro n LYS 56 N -1.01 -0.89 -3.91 -1.46 4.76 0.52 -4.86 118.16 111.32 2yro n LYS 56 Ca 0.17 0.08 -0.35 0.00 -2.87 0.00 0.00 58.31 55.33 2yro n LYS 56 Cb 0.72 -2.72 -0.10 0.00 -1.84 0.00 0.00 35.03 31.09 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 -3.26 5.63 -0.53 4.39 1.01 -1.17 -4.77 116.67 117.96 2yro s ASP 57 Ca 0.26 0.04 -0.28 0.00 0.71 0.00 0.00 52.55 53.28 2yro s ASP 57 Cb -0.15 -1.98 0.01 0.00 1.01 0.00 0.00 42.92 41.81 2yro s ASP 57 CO 0.67 0.12 1.47 -0.63 0.21 0.00 0.00 175.17 177.01 2yro s ILE 58 N 0.70 3.75 0.03 0.77 1.01 -0.97 -0.78 121.20 125.70 2yro s ILE 58 Ca 0.04 0.66 -0.19 0.00 0.00 0.00 0.00 60.65 61.15 2yro s ILE 58 Cb -0.13 -4.33 -0.18 0.00 0.01 0.00 0.00 42.46 37.84 2yro s ILE 58 CO 0.02 -1.06 1.23 0.00 0.00 0.00 0.00 174.94 175.13 2yro h ALA 59 N 11.41 0.18 -2.70 9.38 0.00 -1.18 -2.49 119.26 133.87 2yro h ALA 59 Ca -0.27 -0.45 -0.25 0.00 0.00 0.00 0.00 54.91 53.94 2yro h ALA 59 Cb 1.10 -0.02 -0.33 0.00 0.00 0.00 0.00 17.79 18.54 2yro h ALA 59 CO 1.16 0.26 -0.56 -1.17 0.00 0.00 0.00 179.25 178.94 2yro s LEU 60 N -8.72 -0.26 -0.31 0.00 2.96 -1.10 -4.42 118.68 106.83 2yro s LEU 60 Ca -0.14 0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 54.02 2yro s LEU 60 Cb 0.05 0.61 0.03 0.00 0.50 0.00 0.00 46.19 47.38 2yro s LEU 60 CO 0.79 -0.27 0.06 -2.28 -1.32 0.00 0.00 176.35 173.33 2yro s HIS 61 N 2.39 3.20 -0.22 5.38 5.65 0.14 -2.31 115.29 129.52 2yro s HIS 61 Ca 0.04 -1.37 -0.03 0.00 0.25 0.00 0.00 55.06 53.96 2yro s HIS 61 Cb -0.13 -2.22 0.00 0.00 -1.18 0.00 0.00 32.58 29.05 2yro s HIS 61 CO -0.10 -0.69 -0.07 -0.51 -0.65 0.00 0.00 174.74 172.72 2yro s LEU 62 N 1.40 2.85 -0.35 8.88 1.43 -0.88 -1.72 118.68 130.29 2yro s LEU 62 Ca -0.01 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 2yro s LEU 62 Cb -0.18 -1.68 0.11 0.00 0.03 0.00 0.00 46.19 44.46 2yro s LEU 62 CO 0.01 -0.05 0.13 0.21 0.23 0.00 0.00 176.35 176.89 2yro s ASN 63 N 1.41 3.96 0.83 2.29 3.04 -0.82 -0.12 114.94 125.53 2yro s ASN 63 Ca 0.04 -1.96 -0.11 0.00 0.04 0.00 0.00 52.86 50.88 2yro s ASN 63 Cb -0.15 -0.95 0.09 0.00 -1.54 0.00 0.00 41.25 38.70 2yro s ASN 63 CO -0.05 -0.37 1.09 -2.16 -3.04 0.00 0.00 177.10 172.57 2yro s PRO 64 N 1.21 1.79 -0.05 0.43 0.04 -1.17 -3.06 135.00 134.18 2yro s PRO 64 Ca 0.12 1.01 -0.02 0.00 0.04 0.00 0.00 61.00 62.15 2yro s PRO 64 Cb -0.20 -1.86 0.04 0.00 0.04 0.00 0.00 34.50 32.53 2yro s PRO 64 CO -0.16 -1.92 0.10 1.03 0.04 0.00 0.00 177.00 176.09 2yro s ARG 65 N -4.92 0.02 -0.14 4.56 0.52 0.36 -4.07 118.95 115.28 2yro s ARG 65 Ca 0.62 0.37 -0.05 0.00 -0.52 0.00 0.00 55.73 56.15 2yro s ARG 65 Cb -0.18 -0.27 -0.25 0.00 0.52 0.00 0.00 34.95 34.78 2yro s ARG 65 CO 0.56 -0.23 0.26 1.28 0.02 0.00 0.00 175.30 177.20 2yro n LEU 66 N 4.64 2.67 -0.31 2.53 4.77 -1.25 -0.75 117.00 129.29 2yro n LEU 66 Ca -0.18 0.15 0.06 0.00 -0.03 0.00 0.00 56.01 56.00 2yro n LEU 66 Cb 0.51 -1.06 0.13 0.00 -2.33 0.00 0.00 43.42 40.66 2yro n LEU 66 CO 0.14 0.86 0.58 -3.20 -1.33 0.00 0.00 177.39 174.45 2yro n ASN 67 N -3.43 -0.31 -0.09 -1.43 4.05 -1.26 -1.17 115.26 111.63 2yro n ASN 67 Ca -0.34 1.50 0.03 0.00 0.45 0.00 0.00 54.58 56.22 2yro n ASN 67 Cb 1.04 -0.46 -0.01 0.00 1.23 0.00 0.00 39.78 41.58 2yro n ASN 67 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 2yro n ILE 68 N -5.42 0.00 -2.80 -1.44 -0.00 -1.26 -5.03 119.36 103.41 2yro n ILE 68 Ca 0.14 -0.42 -0.11 0.00 -0.00 0.00 0.00 62.75 62.36 2yro n ILE 68 Cb 0.45 1.05 0.05 0.00 -0.00 0.00 0.00 39.64 41.19 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 -0.57 -2.94 -4.29 6.28 4.76 -0.31 -5.05 118.16 116.03 2yro n LYS 69 Ca 0.02 0.57 -0.24 0.00 -2.87 0.00 0.00 58.31 55.79 2yro n LYS 69 Cb 0.11 -4.55 -0.12 0.00 -1.84 0.00 0.00 35.03 28.62 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 -3.25 1.84 -0.22 7.82 0.00 0.07 -4.78 121.76 123.24 2yro s ALA 70 Ca 0.15 -1.29 -0.03 0.00 0.00 0.00 0.00 51.96 50.79 2yro s ALA 70 Cb -0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 2yro s ALA 70 CO 0.49 0.34 -0.06 0.12 0.00 0.00 0.00 175.76 176.65 2yro s PHE 71 N -1.30 2.95 -0.23 0.00 2.19 -1.26 -0.49 117.98 119.84 2yro s PHE 71 Ca 0.08 -1.06 -0.08 0.00 0.33 0.00 0.00 56.93 56.19 2yro s PHE 71 Cb -0.09 -2.08 -0.04 0.00 -1.31 0.00 0.00 43.02 39.49 2yro s PHE 71 CO 0.05 -0.59 0.10 0.08 1.83 0.00 0.00 175.22 176.69 2yro s VAL 72 N 1.45 4.80 -0.16 3.12 1.01 -1.17 -4.49 120.40 124.95 2yro s VAL 72 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2yro s VAL 72 Cb -0.14 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.04 2yro s VAL 72 CO -0.04 0.36 -0.11 -0.13 0.00 0.00 0.00 175.10 175.18 2yro s ARG 73 N 1.14 1.97 0.30 2.72 0.52 -1.25 -1.93 118.95 122.41 2yro s ARG 73 Ca 0.05 -0.58 -0.07 0.00 -0.52 0.00 0.00 55.73 54.61 2yro s ARG 73 Cb -0.14 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.24 2yro s ARG 73 CO 0.04 -0.32 0.47 1.21 0.02 0.00 0.00 175.30 176.72 2yro s ASN 74 N 1.52 0.44 -0.03 0.23 2.47 -0.70 -3.86 114.94 115.01 2yro s ASN 74 Ca 0.03 -1.26 -0.06 0.00 0.42 0.00 0.00 52.86 51.99 2yro s ASN 74 Cb -0.14 0.63 0.01 0.00 -1.45 0.00 0.00 41.25 40.30 2yro s ASN 74 CO -0.09 -1.24 0.13 -0.55 -3.72 0.00 0.00 177.10 171.63 2yro s SER 75 N -3.14 -0.06 -0.52 -4.21 0.15 -1.26 0.23 113.70 104.88 2yro s SER 75 Ca 0.27 0.05 -0.04 0.00 0.70 0.00 0.00 55.95 56.93 2yro s SER 75 Cb -0.00 0.25 0.14 0.00 -1.71 0.00 0.00 66.02 64.70 2yro s SER 75 CO 0.15 -0.19 0.34 0.12 1.20 0.00 0.00 173.24 174.86 2yro s PHE 76 N -0.60 3.50 -0.01 3.44 5.36 -0.94 -2.17 117.98 126.57 2yro s PHE 76 Ca -0.07 -2.42 0.06 0.00 -0.96 0.00 0.00 56.93 53.54 2yro s PHE 76 Cb -0.04 -3.29 -0.03 0.00 -0.34 0.00 0.00 43.02 39.32 2yro s PHE 76 CO 0.01 -0.93 -0.19 -0.51 -1.46 0.00 0.00 175.22 172.14 2yro s LEU 77 N 0.67 2.52 -1.60 6.12 1.43 -0.37 -2.30 118.68 125.15 2yro s LEU 77 Ca 0.12 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 52.72 2yro s LEU 77 Cb -0.22 -1.49 0.11 0.00 0.03 0.00 0.00 46.19 44.63 2yro s LEU 77 CO -0.03 0.31 0.81 0.00 0.23 0.00 0.00 176.35 177.66 2yro n GLN 78 N 2.06 -4.06 -3.79 1.70 6.02 -1.26 -0.25 117.38 117.81 2yro n GLN 78 Ca -0.17 0.46 -0.28 0.00 -0.01 0.00 0.00 57.00 57.01 2yro n GLN 78 Cb 0.52 -5.17 0.05 0.00 1.02 0.00 0.00 30.24 26.66 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 -4.49 -6.54 -3.83 -1.09 1.02 -1.26 -4.98 120.64 99.47 2yro n GLU 79 Ca 0.01 0.69 -0.12 0.00 -0.02 0.00 0.00 57.16 57.72 2yro n GLU 79 Cb 0.53 -5.65 -0.12 0.00 -0.02 0.00 0.00 31.44 26.17 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 -3.32 -0.12 -0.14 1.62 1.04 0.66 -5.15 113.70 108.29 2yro s SER 80 Ca 0.63 0.22 -0.14 0.00 0.48 0.00 0.00 55.95 57.15 2yro s SER 80 Cb -0.30 0.27 -0.05 0.00 0.10 0.00 0.00 66.02 66.04 2yro s SER 80 CO 0.79 -0.08 0.31 0.26 0.98 0.00 0.00 173.24 175.50 2yro s TRP 81 N -0.08 3.50 0.00 5.02 0.52 -1.26 -1.23 118.94 125.40 2yro s TRP 81 Ca -0.02 0.65 0.00 0.00 0.02 0.00 0.00 56.10 56.75 2yro s TRP 81 Cb -0.02 -2.33 0.00 0.00 -1.15 0.00 0.00 33.47 29.97 2yro s TRP 81 CO 0.00 0.30 0.00 0.41 0.02 0.00 0.00 176.95 177.68 2yro n GLY 82 N 3.16 -2.66 2.78 0.98 0.00 -0.92 -4.95 105.19 103.58 2yro n GLY 82 Ca -0.12 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 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 1.00 0.04 1.61 2.12 -1.26 -5.01 118.70 117.20 2yro s GLU 83 Ca 0.00 -1.46 -0.34 0.00 0.36 0.00 0.00 54.97 53.53 2yro s GLU 83 Cb 0.00 -2.31 -0.13 0.00 0.26 0.00 0.00 34.13 31.95 2yro s GLU 83 CO 0.00 -1.02 1.72 0.39 -0.54 0.00 0.00 175.26 175.81 2yro n GLU 84 N 4.41 2.14 -4.64 4.30 4.71 -1.26 -4.92 120.64 125.39 2yro n GLU 84 Ca 0.02 0.78 -0.26 0.00 -0.01 0.00 0.00 57.16 57.68 2yro n GLU 84 Cb 0.40 -2.58 -0.14 0.00 -1.01 0.00 0.00 31.44 28.11 2yro n GLU 84 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2yro s GLU 85 N 2.41 1.44 -0.25 3.49 0.41 -1.25 -5.03 118.70 119.92 2yro s GLU 85 Ca 0.86 -1.02 0.00 0.00 -0.41 0.00 0.00 54.97 54.39 2yro s GLU 85 Cb -0.69 -1.61 0.07 0.00 -1.78 0.00 0.00 34.13 30.12 2yro s GLU 85 CO 0.45 0.41 -0.01 1.03 -0.49 0.00 0.00 175.26 176.65 2yro s ARG 86 N -1.33 1.30 -0.30 1.61 0.52 -1.26 -3.92 118.95 115.57 2yro s ARG 86 Ca 0.09 -0.99 -0.09 0.00 -0.52 0.00 0.00 55.73 54.22 2yro s ARG 86 Cb -0.09 -2.47 0.18 0.00 0.52 0.00 0.00 34.95 33.09 2yro s ARG 86 CO 0.02 -0.70 0.95 1.21 0.02 0.00 0.00 175.30 176.81 2yro s ASN 87 N 1.46 -0.67 0.02 0.23 2.47 -1.26 -5.06 114.94 112.14 2yro s ASN 87 Ca -0.01 0.29 -0.01 0.00 0.42 0.00 0.00 52.86 53.55 2yro s ASN 87 Cb -0.18 1.51 -0.02 0.00 -1.45 0.00 0.00 41.25 41.11 2yro s ASN 87 CO -0.10 -0.12 -0.02 0.27 -3.72 0.00 0.00 177.10 173.41 2yro s ILE 88 N 2.93 0.12 0.09 -5.21 -4.36 -1.26 -5.04 121.20 108.47 2yro s ILE 88 Ca 0.10 -0.97 -0.21 0.00 -0.26 0.00 0.00 60.65 59.31 2yro s ILE 88 Cb -0.09 -0.38 -0.10 0.00 1.25 0.00 0.00 42.46 43.14 2yro s ILE 88 CO -0.17 -0.53 1.65 0.00 0.24 0.00 0.00 174.94 176.13 2yro h THR 89 N 4.49 1.13 -3.07 8.37 1.03 -2.02 -3.47 112.91 119.38 2yro h THR 89 Ca -0.32 -0.40 -0.02 0.00 -0.01 0.00 0.00 66.41 65.66 2yro h THR 89 Cb 1.20 1.12 -0.12 0.00 -1.07 0.00 0.00 68.15 69.28 2yro h THR 89 CO 0.43 0.12 0.16 -0.44 -0.01 0.00 0.00 175.52 175.79 2yro s SER 90 N -5.50 -0.51 -0.59 0.00 0.01 -1.26 -5.12 113.70 100.72 2yro s SER 90 Ca -0.14 -0.06 -0.14 0.00 1.31 0.00 0.00 55.95 56.93 2yro s SER 90 Cb 0.07 0.58 0.15 0.00 0.21 0.00 0.00 66.02 67.03 2yro s SER 90 CO 0.69 -0.95 0.53 0.12 0.41 0.00 0.00 173.24 174.04 2yro s PHE 91 N -3.76 3.40 0.17 2.43 5.36 -1.26 -4.92 117.98 119.41 2yro s PHE 91 Ca 0.01 -1.62 -0.07 0.00 -0.96 0.00 0.00 56.93 54.30 2yro s PHE 91 Cb -0.01 -3.72 0.06 0.00 -0.34 0.00 0.00 43.02 39.01 2yro s PHE 91 CO -0.13 -1.00 1.52 -1.00 -1.46 0.00 0.00 175.22 173.15 2yro h PRO 92 N 8.48 0.79 -6.35 10.12 0.13 -2.00 -3.45 132.00 139.73 2yro h PRO 92 Ca -0.18 -0.41 -0.65 0.00 -0.87 0.00 0.00 66.00 63.89 2yro h PRO 92 Cb 1.08 0.01 0.07 0.00 0.13 0.00 0.00 31.00 32.29 2yro h PRO 92 CO 0.93 1.04 0.42 1.19 -0.23 0.00 0.00 178.00 181.35 2yro n PHE 93 N -4.04 1.55 -3.83 1.56 3.72 -1.26 -4.98 117.46 110.17 2yro n PHE 93 Ca -0.02 0.60 -0.12 0.00 -0.05 0.00 0.00 57.45 57.86 2yro n PHE 93 Cb 0.54 -2.34 -0.11 0.00 -0.94 0.00 0.00 39.48 36.63 2yro n PHE 93 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2yro s SER 94 N 0.29 -0.10 0.04 4.37 0.01 -1.26 -5.00 113.70 112.05 2yro s SER 94 Ca 0.77 0.10 -0.30 0.00 1.31 0.00 0.00 55.95 57.83 2yro s SER 94 Cb -0.85 0.30 -0.06 0.00 0.21 0.00 0.00 66.02 65.61 2yro s SER 94 CO 0.49 -0.21 1.42 -2.16 0.41 0.00 0.00 173.24 173.18 2yro s PRO 95 N -0.61 4.29 -0.04 12.44 0.04 -1.26 -3.42 135.00 146.44 2yro s PRO 95 Ca -0.07 2.03 -0.00 0.00 0.04 0.00 0.00 61.00 63.00 2yro s PRO 95 Cb -0.04 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 31.01 2yro s PRO 95 CO 0.01 -0.55 0.03 0.41 0.04 0.00 0.00 177.00 176.94 2yro n GLY 96 N 3.63 0.70 3.30 0.56 0.00 0.51 -4.54 105.19 109.35 2yro n GLY 96 Ca 0.13 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.61 1.21 -0.41 1.61 0.23 -1.11 -4.26 119.30 111.96 2yro s MET 97 Ca 0.01 -1.43 -0.12 0.00 -1.03 0.00 0.00 55.69 53.12 2yro s MET 97 Cb -0.00 0.33 0.05 0.00 -1.53 0.00 0.00 34.83 33.67 2yro s MET 97 CO 0.02 -0.42 0.27 -0.47 -2.03 0.00 0.00 175.02 172.38 2yro s TYR 98 N -4.07 3.26 0.02 3.16 6.14 -1.26 -0.72 117.35 123.88 2yro s TYR 98 Ca 0.29 -1.02 0.03 0.00 0.64 0.00 0.00 57.07 57.01 2yro s TYR 98 Cb 0.05 -2.70 -0.04 0.00 0.42 0.00 0.00 41.96 39.70 2yro s TYR 98 CO 0.07 -0.71 -0.04 -0.59 0.64 0.00 0.00 175.55 174.92 2yro s PHE 99 N 1.56 2.95 -0.16 4.97 -0.71 -1.10 -4.93 117.98 120.57 2yro s PHE 99 Ca 0.03 -0.01 -0.01 0.00 -1.04 0.00 0.00 56.93 55.90 2yro s PHE 99 Cb -0.21 -1.61 0.04 0.00 -1.21 0.00 0.00 43.02 40.03 2yro s PHE 99 CO 0.06 0.42 -0.05 -2.00 -1.34 0.00 0.00 175.22 172.31 2yro s GLU 100 N -1.62 1.37 -0.26 1.99 2.12 -1.26 -3.09 118.70 117.95 2yro s GLU 100 Ca 0.19 -0.46 -0.13 0.00 0.36 0.00 0.00 54.97 54.93 2yro s GLU 100 Cb -0.11 -1.92 -0.04 0.00 0.26 0.00 0.00 34.13 32.31 2yro s GLU 100 CO 0.10 -0.42 0.29 1.41 -0.54 0.00 0.00 175.26 176.10 2yro s MET 101 N 1.67 4.03 -0.26 4.30 -2.45 -1.12 -1.77 119.30 123.69 2yro s MET 101 Ca 0.01 -0.09 -0.06 0.00 -1.25 0.00 0.00 55.69 54.30 2yro s MET 101 Cb -0.15 -3.62 -0.00 0.00 1.25 0.00 0.00 34.83 32.31 2yro s MET 101 CO -0.08 -0.17 0.04 0.42 1.05 0.00 0.00 175.02 176.29 2yro s ILE 102 N 1.72 3.80 -0.45 10.11 1.01 -0.55 -0.62 121.20 136.22 2yro s ILE 102 Ca 0.12 -0.57 -0.10 0.00 0.00 0.00 0.00 60.65 60.09 2yro s ILE 102 Cb -0.15 -2.87 0.09 0.00 0.01 0.00 0.00 42.46 39.54 2yro s ILE 102 CO 0.09 0.22 0.31 -0.63 0.00 0.00 0.00 174.94 174.94 2yro s ILE 103 N 1.50 4.40 -0.11 2.92 1.01 -0.04 -2.65 121.20 128.23 2yro s ILE 103 Ca 0.04 -1.47 -0.02 0.00 0.00 0.00 0.00 60.65 59.19 2yro s ILE 103 Cb -0.16 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 2yro s ILE 103 CO 0.01 -0.61 -0.02 -0.47 0.00 0.00 0.00 174.94 173.85 2yro s TYR 104 N 1.44 3.09 -0.31 3.97 5.04 -1.23 -1.83 117.35 127.52 2yro s TYR 104 Ca 0.04 0.00 -0.08 0.00 -2.44 0.00 0.00 57.07 54.59 2yro s TYR 104 Cb -0.24 -1.85 0.01 0.00 0.35 0.00 0.00 41.96 40.22 2yro s TYR 104 CO 0.02 0.26 0.11 0.00 -1.34 0.00 0.00 175.55 174.60 2yro n ASP 106 N 4.91 4.87 -1.95 0.00 2.03 -1.26 -0.30 116.55 124.85 2yro n ASP 106 Ca -0.14 -2.97 -0.16 0.00 0.52 0.00 0.00 54.79 52.04 2yro n ASP 106 Cb 0.48 -0.62 -0.04 0.00 -0.72 0.00 0.00 41.12 40.22 2yro n ASP 106 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2yro n VAL 107 N 0.10 -0.39 0.00 5.18 0.31 -1.26 -4.67 118.33 117.60 2yro n VAL 107 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 2yro n VAL 107 Cb 1.05 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 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 0.64 -3.71 5.55 5.12 -1.26 -5.09 116.66 115.41 2yro n ARG 108 Ca -0.18 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.73 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 0.85 -0.48 5.56 1.03 -1.26 -3.75 118.70 119.39 2yro s GLU 109 Ca 0.00 -0.48 -0.17 0.00 0.03 0.00 0.00 54.97 54.35 2yro s GLU 109 Cb 0.00 0.29 0.07 0.00 -0.80 0.00 0.00 34.13 33.68 2yro s GLU 109 CO 0.00 -0.39 0.48 -0.06 -1.33 0.00 0.00 175.26 173.96 2yro s PHE 110 N -2.84 3.17 0.22 4.83 0.08 0.92 -4.03 117.98 120.33 2yro s PHE 110 Ca 0.14 -0.77 -0.09 0.00 0.12 0.00 0.00 56.93 56.32 2yro s PHE 110 Cb 0.01 -3.30 -0.07 0.00 -0.57 0.00 0.00 43.02 39.09 2yro s PHE 110 CO -0.00 -0.88 0.53 0.15 -0.10 0.00 0.00 175.22 174.91 2yro s LYS 111 N 2.02 3.79 -0.22 0.44 1.02 -1.22 -2.66 119.74 122.92 2yro s LYS 111 Ca 0.08 0.25 -0.04 0.00 0.02 0.00 0.00 55.97 56.28 2yro s LYS 111 Cb -0.22 -2.68 0.11 0.00 -0.52 0.00 0.00 37.83 34.52 2yro s LYS 111 CO 0.09 0.34 0.32 0.54 -0.92 0.00 0.00 175.35 175.71 2yro s VAL 112 N -1.79 -0.50 0.03 3.17 0.11 -1.25 -3.52 120.40 116.65 2yro s VAL 112 Ca 0.46 -0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.52 2yro s VAL 112 Cb -0.11 -0.72 -0.03 0.00 -1.53 0.00 0.00 36.38 33.98 2yro s VAL 112 CO 0.21 -0.11 -0.08 0.00 -3.33 0.00 0.00 175.10 171.79 2yro s ALA 113 N 2.47 2.98 -0.13 1.54 0.00 -1.08 -3.62 121.76 123.92 2yro s ALA 113 Ca 0.09 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.00 2yro s ALA 113 Cb -0.15 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 21.92 2yro s ALA 113 CO -0.14 0.62 -0.22 0.08 0.00 0.00 0.00 175.76 176.10 2yro s VAL 114 N -1.04 2.11 -1.31 0.00 1.01 -0.87 -1.48 120.40 118.83 2yro s VAL 114 Ca 0.18 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 2yro s VAL 114 Cb -0.11 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.45 2yro s VAL 114 CO 0.09 0.55 1.14 0.59 0.00 0.00 0.00 175.10 177.46 2yro n ASN 115 N 3.88 -5.59 -3.41 3.32 3.02 -0.73 -2.19 115.26 113.56 2yro n ASN 115 Ca -0.20 -0.54 -0.24 0.00 -0.03 0.00 0.00 54.58 53.57 2yro n ASN 115 Cb 0.52 -4.97 0.06 0.00 -0.61 0.00 0.00 39.78 34.78 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 -1.84 -0.54 2.95 7.41 0.00 -1.26 -4.99 105.19 106.92 2yro n GLY 116 Ca -0.04 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.27 -0.49 0.36 1.61 1.01 -0.93 -5.14 120.40 113.55 2yro s VAL 117 Ca 0.49 0.05 -0.26 0.00 0.00 0.00 0.00 61.98 62.27 2yro s VAL 117 Cb -0.22 -0.65 -0.12 0.00 0.00 0.00 0.00 36.38 35.38 2yro s VAL 117 CO 0.61 -0.05 0.91 1.57 0.00 0.00 0.00 175.10 178.15 2yro n HIS 118 N 5.35 0.87 0.00 5.22 -0.00 -1.26 -2.04 115.22 123.36 2yro n HIS 118 Ca -0.05 0.64 0.00 0.00 0.46 0.00 0.00 57.72 58.76 2yro n HIS 118 Cb 0.50 -2.19 0.00 0.00 -0.12 0.00 0.00 29.99 28.18 2yro n HIS 118 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2yro n SER 119 N 0.98 0.04 -4.06 0.26 7.64 -1.24 -4.85 113.62 112.39 2yro n SER 119 Ca 0.10 0.01 -0.09 0.00 1.01 0.00 0.00 58.87 59.89 2yro n SER 119 Cb 0.36 -0.01 -0.09 0.00 -1.01 0.00 0.00 64.21 63.46 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 -5.08 1.53 0.19 -3.43 -0.00 -1.26 -4.82 118.68 105.82 2yro s LEU 120 Ca 0.00 -1.03 0.08 0.00 -0.00 0.00 0.00 54.13 53.18 2yro s LEU 120 Cb 0.00 0.65 -0.05 0.00 -0.00 0.00 0.00 46.19 46.80 2yro s LEU 120 CO 0.00 -0.77 -0.15 -1.61 -0.00 0.00 0.00 176.35 173.82 2yro s GLU 121 N -3.99 1.29 -0.14 1.48 2.02 -1.26 -3.77 118.70 114.31 2yro s GLU 121 Ca 0.19 -1.53 -0.06 0.00 0.02 0.00 0.00 54.97 53.59 2yro s GLU 121 Cb 0.06 -1.12 0.07 0.00 0.10 0.00 0.00 34.13 33.24 2yro s GLU 121 CO -0.01 0.19 0.31 -0.47 0.02 0.00 0.00 175.26 175.30 2yro s TYR 122 N -2.78 -0.51 0.29 1.61 6.14 -1.09 -5.04 117.35 115.99 2yro s TYR 122 Ca 0.20 1.09 -0.28 0.00 0.64 0.00 0.00 57.07 58.72 2yro s TYR 122 Cb -0.02 0.08 -0.14 0.00 0.42 0.00 0.00 41.96 42.30 2yro s TYR 122 CO 0.06 -0.36 1.03 1.63 0.64 0.00 0.00 175.55 178.55 2yro n LYS 123 N 5.08 1.40 -1.46 4.97 4.76 -1.26 -0.05 118.16 131.60 2yro n LYS 123 Ca -0.11 0.49 -0.48 0.00 -2.87 0.00 0.00 58.31 55.34 2yro n LYS 123 Cb 0.51 -1.88 -0.07 0.00 -1.84 0.00 0.00 35.03 31.75 2yro n LYS 123 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2yro n HIS 124 N 0.24 1.50 -0.07 2.13 8.25 -1.25 -4.56 115.22 121.46 2yro n HIS 124 Ca 0.09 0.26 -0.15 0.00 -0.26 0.00 0.00 57.72 57.66 2yro n HIS 124 Cb 0.32 -2.54 -0.13 0.00 1.12 0.00 0.00 29.99 28.77 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 13.29 0.00 -6.23 -0.41 2.43 -1.87 -3.43 114.38 118.15 2yro h ARG 125 Ca -0.25 -0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.33 2yro h ARG 125 Cb 1.31 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.77 2yro h ARG 125 CO 1.07 1.00 0.65 0.12 -1.51 0.00 0.00 179.97 181.30 2yro s PHE 126 N -2.24 2.95 0.10 2.20 5.36 -1.26 -4.94 117.98 120.15 2yro s PHE 126 Ca -0.20 0.55 -0.28 0.00 -0.96 0.00 0.00 56.93 56.04 2yro s PHE 126 Cb -0.02 -3.97 -0.12 0.00 -0.34 0.00 0.00 43.02 38.57 2yro s PHE 126 CO 0.68 -1.06 1.65 0.87 -1.46 0.00 0.00 175.22 175.91 2yro h LYS 127 N 8.94 -0.48 -5.96 10.12 1.79 -1.99 -3.37 116.57 125.62 2yro h LYS 127 Ca -0.24 0.03 -0.47 0.00 -2.18 0.00 0.00 60.65 57.80 2yro h LYS 127 Cb 1.07 0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.79 2yro h LYS 127 CO 1.03 -0.32 1.23 -2.00 -1.08 0.00 0.00 179.45 178.31 2yro s GLU 128 N -6.09 2.66 0.12 3.15 2.12 -1.26 -4.79 118.70 114.62 2yro s GLU 128 Ca -0.16 0.37 0.10 0.00 0.36 0.00 0.00 54.97 55.65 2yro s GLU 128 Cb 0.06 -4.51 -0.15 0.00 0.26 0.00 0.00 34.13 29.80 2yro s GLU 128 CO 0.64 -2.80 1.17 -0.07 -0.54 0.00 0.00 175.26 173.67 2yro h LEU 129 N 16.42 0.00 -1.75 2.70 3.38 -1.90 -3.26 115.31 130.90 2yro h LEU 129 Ca -0.19 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 2yro h LEU 129 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2yro h LEU 129 CO 1.22 0.86 0.04 -1.54 0.09 0.00 0.00 178.44 179.11 2yro n SER 130 N -3.23 2.27 -0.08 -0.43 3.41 -1.24 -3.54 113.62 110.78 2yro n SER 130 Ca -0.03 -2.22 -0.11 0.00 -0.26 0.00 0.00 58.87 56.25 2yro n SER 130 Cb 0.91 -0.54 -0.08 0.00 -0.26 0.00 0.00 64.21 64.23 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 2.50 -4.52 4.04 7.64 -1.23 -4.78 113.62 117.41 2yro n SER 131 Ca 0.07 -0.07 -0.47 0.00 1.01 0.00 0.00 58.87 59.40 2yro n SER 131 Cb 0.52 -0.05 -0.05 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.27 0.00 0.44 5.41 -1.23 -4.23 119.36 117.11 2yro n ILE 132 Ca -0.28 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.13 2yro n ILE 132 Cb 0.84 -2.04 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 10.52 2.52 -4.81 4.38 2.03 -1.25 -0.55 116.55 129.39 2yro n ASP 133 Ca 0.36 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.29 2yro n ASP 133 Cb 0.32 0.12 -0.06 0.00 -0.72 0.00 0.00 41.12 40.78 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 -1.57 5.10 -0.28 5.18 2.01 -1.17 -0.25 115.64 124.65 2yro s THR 134 Ca 0.00 0.81 0.00 0.00 0.31 0.00 0.00 61.69 62.81 2yro s THR 134 Cb 0.00 -3.71 0.08 0.00 0.01 0.00 0.00 72.50 68.88 2yro s THR 134 CO 0.00 0.52 0.04 -0.22 -0.69 0.00 0.00 174.62 174.27 2yro s LEU 135 N -0.66 2.75 -0.09 4.42 2.96 -0.71 -3.10 118.68 124.24 2yro s LEU 135 Ca 0.23 -1.53 -0.11 0.00 -0.22 0.00 0.00 54.13 52.50 2yro s LEU 135 Cb -0.16 -1.08 -0.05 0.00 0.50 0.00 0.00 46.19 45.40 2yro s LEU 135 CO 0.12 -0.35 0.25 -1.61 -1.32 0.00 0.00 176.35 173.44 2yro s GLU 136 N 1.43 3.76 -0.05 1.98 2.02 -0.71 -3.69 118.70 123.45 2yro s GLU 136 Ca 0.04 0.07 -0.02 0.00 0.02 0.00 0.00 54.97 55.08 2yro s GLU 136 Cb -0.18 -3.25 0.03 0.00 0.10 0.00 0.00 34.13 30.83 2yro s GLU 136 CO -0.14 0.64 0.10 0.42 0.02 0.00 0.00 175.26 176.30 2yro s ILE 137 N -0.72 -0.04 0.13 -1.63 1.01 -0.40 -1.54 121.20 118.01 2yro s ILE 137 Ca 0.17 0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.85 2yro s ILE 137 Cb -0.14 -0.17 0.00 0.00 0.01 0.00 0.00 42.46 42.17 2yro s ILE 137 CO 0.06 0.06 0.29 0.21 0.00 0.00 0.00 174.94 175.56 2yro s ASN 138 N 0.82 -0.00 0.00 3.58 3.84 -0.96 -0.67 114.94 121.55 2yro s ASN 138 Ca -0.06 -0.66 0.00 0.00 0.21 0.00 0.00 52.86 52.35 2yro s ASN 138 Cb -0.09 0.42 0.00 0.00 -0.55 0.00 0.00 41.25 41.03 2yro s ASN 138 CO -0.04 -0.84 0.00 0.61 -2.79 0.00 0.00 177.10 174.05 2yro n GLY 139 N -0.17 0.64 2.25 1.21 0.00 -1.26 -0.83 105.19 107.03 2yro n GLY 139 Ca -0.12 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 2yro n GLY 139 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2yro n ASP 140 N 0.80 6.87 -4.46 1.61 -0.08 -1.15 -4.96 116.55 115.18 2yro n ASP 140 Ca 0.00 -3.77 -0.27 0.00 -1.51 0.00 0.00 54.79 49.24 2yro n ASP 140 Cb 0.00 -0.87 -0.11 0.00 2.34 0.00 0.00 41.12 42.48 2yro n ASP 140 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2yro s ILE 141 N -4.63 2.53 -0.38 5.18 -5.25 -1.26 -3.68 121.20 113.71 2yro s ILE 141 Ca 0.62 -1.98 -0.17 0.00 -0.99 0.00 0.00 60.65 58.13 2yro s ILE 141 Cb 0.49 -2.23 0.00 0.00 2.95 0.00 0.00 42.46 43.68 2yro s ILE 141 CO 0.01 -0.13 0.43 -2.28 -1.79 0.00 0.00 174.94 171.17 2yro s HIS 142 N -1.73 3.18 -0.12 1.37 5.65 -0.52 -4.96 115.29 118.15 2yro s HIS 142 Ca 0.22 -0.13 -0.29 0.00 0.25 0.00 0.00 55.06 55.11 2yro s HIS 142 Cb -0.08 -2.83 -0.01 0.00 -1.18 0.00 0.00 32.58 28.48 2yro s HIS 142 CO 0.11 -0.58 1.03 -1.17 -0.65 0.00 0.00 174.74 173.49 2yro s LEU 143 N 2.16 4.22 -0.16 8.88 2.96 -1.26 -2.05 118.68 133.43 2yro s LEU 143 Ca 0.13 1.53 -0.12 0.00 -0.22 0.00 0.00 54.13 55.45 2yro s LEU 143 Cb -0.16 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 2yro s LEU 143 CO 0.13 -0.50 -0.19 0.18 -1.32 0.00 0.00 176.35 174.65 2yro n LEU 144 N 5.26 1.85 -3.62 -0.68 4.77 -0.76 -2.38 117.00 121.44 2yro n LEU 144 Ca 0.10 0.54 -0.05 0.00 -0.03 0.00 0.00 56.01 56.56 2yro n LEU 144 Cb 0.48 -0.85 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 2yro n LEU 144 CO 0.52 -0.33 1.02 -0.70 -1.33 0.00 0.00 177.39 176.58 2yro s GLU 145 N -2.42 0.25 -0.24 3.23 2.12 -1.10 -3.69 118.70 116.86 2yro s GLU 145 Ca -0.20 0.03 -0.02 0.00 0.36 0.00 0.00 54.97 55.14 2yro s GLU 145 Cb 0.03 0.12 0.02 0.00 0.26 0.00 0.00 34.13 34.56 2yro s GLU 145 CO 0.31 -0.09 -0.07 0.08 -0.54 0.00 0.00 175.26 174.96 2yro s VAL 146 N -1.31 2.86 0.11 3.70 1.01 -1.26 -2.44 120.40 123.06 2yro s VAL 146 Ca 0.06 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2yro s VAL 146 Cb -0.01 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2yro s VAL 146 CO -0.05 0.24 0.15 -0.60 0.00 0.00 0.00 175.10 174.84 2yro s ARG 147 N 1.34 3.07 -0.09 2.72 3.52 -1.16 -4.98 118.95 123.36 2yro s ARG 147 Ca 0.01 -0.68 -0.04 0.00 -0.13 0.00 0.00 55.73 54.89 2yro s ARG 147 Cb -0.16 -2.80 0.04 0.00 -1.56 0.00 0.00 34.95 30.47 2yro s ARG 147 CO -0.05 0.55 0.20 0.45 -0.81 0.00 0.00 175.30 175.64 2yro s SER 148 N -2.71 -0.05 0.17 -2.12 0.15 -1.26 -1.87 113.70 106.00 2yro s SER 148 Ca 0.31 0.42 0.04 0.00 0.70 0.00 0.00 55.95 57.42 2yro s SER 148 Cb -0.12 0.33 -0.05 0.00 -1.71 0.00 0.00 66.02 64.48 2yro s SER 148 CO 0.24 -0.17 -0.07 -1.66 1.20 0.00 0.00 173.24 172.78 2yro s TRP 149 N 1.42 1.32 -0.25 3.44 -2.14 -1.06 -4.98 118.94 116.70 2yro s TRP 149 Ca -0.07 -0.82 0.00 0.00 2.66 0.00 0.00 56.10 57.87 2yro s TRP 149 Cb -0.11 -0.71 0.04 0.00 -3.10 0.00 0.00 33.47 29.59 2yro s TRP 149 CO -0.07 0.03 -0.09 -1.12 -2.66 0.00 0.00 176.95 173.03 2yro s SER 150 N -3.20 4.22 -0.21 -2.66 0.01 -1.26 -1.86 113.70 108.73 2yro s SER 150 Ca 0.20 -1.02 -0.29 0.00 1.31 0.00 0.00 55.95 56.15 2yro s SER 150 Cb 0.04 -1.61 -0.03 0.00 0.21 0.00 0.00 66.02 64.62 2yro s SER 150 CO 0.03 -0.14 1.76 -0.83 0.41 0.00 0.00 173.24 174.47 2yro s GLY 151 N 1.25 1.07 0.19 3.44 0.00 -1.23 -4.88 107.32 107.17 2yro s GLY 151 Ca -0.02 0.56 -0.05 0.00 0.00 0.00 0.00 44.72 45.21 2yro s GLY 151 CO -0.06 3.20 1.54 -0.56 0.00 0.00 0.00 173.10 177.23 2yro h PRO 152 N 11.66 0.70 0.12 2.90 0.13 -1.98 -3.29 132.00 142.24 2yro h PRO 152 Ca -0.36 -0.37 -0.01 0.00 -0.87 0.00 0.00 66.00 64.39 2yro h PRO 152 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2yro h PRO 152 CO 1.00 0.98 -0.06 0.77 -0.23 0.00 0.00 178.00 180.46 2yro h SER 153 N 0.57 -0.14 -3.54 1.44 0.02 -2.02 -3.45 113.55 106.44 2yro h SER 153 Ca 0.04 -0.42 -0.57 0.00 -0.84 0.00 0.00 61.79 60.01 2yro h SER 153 Cb 0.95 0.04 0.17 0.00 0.14 0.00 0.00 62.40 63.69 2yro h SER 153 CO 0.09 0.41 0.05 -1.20 -1.14 0.00 0.00 176.83 175.04 2yro n SER 154 N -4.91 0.48 0.00 3.07 7.64 -1.24 -5.26 113.62 113.40 2yro n SER 154 Ca -0.08 0.77 0.00 0.00 1.01 0.00 0.00 58.87 60.57 2yro n SER 154 Cb 0.27 -1.36 0.01 0.00 -1.01 0.00 0.00 64.21 62.12 2yro n SER 154 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64