#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 6.27 -0.29 1.61 0.01 -1.26 -5.09 113.70 114.95 2yro s SER 2 Ca 0.00 1.25 -0.10 0.00 1.31 0.00 0.00 55.95 58.41 2yro s SER 2 Cb 0.00 -2.39 0.12 0.00 0.21 0.00 0.00 66.02 63.96 2yro s SER 2 CO 0.00 -0.74 0.64 -0.94 0.41 0.00 0.00 173.24 172.61 2yro s SER 3 N -4.07 -1.09 -0.11 2.44 1.04 -1.26 -5.15 113.70 105.49 2yro s SER 3 Ca 0.53 1.55 0.03 0.00 0.48 0.00 0.00 55.95 58.54 2yro s SER 3 Cb -0.11 2.18 0.00 0.00 0.10 0.00 0.00 66.02 68.19 2yro s SER 3 CO 0.49 -0.22 -0.23 -0.83 0.98 0.00 0.00 173.24 173.43 2yro s GLY 4 N 2.76 1.32 -0.23 7.32 0.00 -1.26 -4.92 107.32 112.31 2yro s GLY 4 Ca -0.06 -0.99 -0.10 0.00 0.00 0.00 0.00 44.72 43.56 2yro s GLY 4 CO -0.19 -0.22 0.53 -0.56 0.00 0.00 0.00 173.10 172.66 2yro s SER 5 N 0.50 -0.67 0.05 1.64 0.01 -1.26 -5.17 113.70 108.80 2yro s SER 5 Ca -0.15 1.21 0.02 0.00 1.31 0.00 0.00 55.95 58.34 2yro s SER 5 Cb -0.17 1.39 -0.02 0.00 0.21 0.00 0.00 66.02 67.43 2yro s SER 5 CO 0.05 -0.22 -0.08 -0.94 0.41 0.00 0.00 173.24 172.46 2yro s SER 6 N 2.10 0.94 0.06 2.44 1.04 -1.26 -5.17 113.70 113.85 2yro s SER 6 Ca -0.07 -0.56 0.01 0.00 0.48 0.00 0.00 55.95 55.81 2yro s SER 6 Cb -0.09 0.03 -0.00 0.00 0.10 0.00 0.00 66.02 66.05 2yro s SER 6 CO -0.16 -0.20 0.02 0.61 0.98 0.00 0.00 173.24 174.50 2yro n GLY 7 N 1.42 3.97 3.55 7.32 0.00 -1.26 -5.08 105.19 115.11 2yro n GLY 7 Ca -0.22 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.49 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 -2.22 2.66 0.25 1.61 0.04 -1.26 -4.86 135.00 131.22 2yro s PRO 8 Ca 0.03 0.65 -0.04 0.00 0.04 0.00 0.00 61.00 61.68 2yro s PRO 8 Cb 0.00 -4.38 0.43 0.00 0.04 0.00 0.00 34.50 30.59 2yro s PRO 8 CO 0.02 -2.69 1.80 1.57 0.04 0.00 0.00 177.00 177.74 2yro h LYS 9 N 14.87 0.72 -7.30 4.56 2.10 -2.00 -3.42 116.57 126.10 2yro h LYS 9 Ca -0.26 -0.04 -0.51 0.00 -2.00 0.00 0.00 60.65 57.83 2yro h LYS 9 Cb 1.16 -0.16 0.12 0.00 -0.90 0.00 0.00 32.23 32.45 2yro h LYS 9 CO 1.21 0.47 0.33 -1.54 -2.00 0.00 0.00 179.45 177.93 2yro s SER 10 N -5.55 4.74 0.00 7.07 1.04 -1.26 -4.33 113.70 115.41 2yro s SER 10 Ca -0.12 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.13 2yro s SER 10 Cb 0.20 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.80 2yro s SER 10 CO 0.78 -1.87 0.00 0.61 0.98 0.00 0.00 173.24 173.74 2yro n GLY 11 N -1.21 2.13 3.80 7.32 0.00 -1.26 -5.06 105.19 110.91 2yro n GLY 11 Ca 0.09 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 3.77 1.06 2.61 -4.23 -1.26 -5.04 115.64 112.55 2yro s THR 12 Ca 0.00 0.86 -0.14 0.00 -1.18 0.00 0.00 61.69 61.23 2yro s THR 12 Cb 0.00 -3.37 0.22 0.00 1.34 0.00 0.00 72.50 70.68 2yro s THR 12 CO 0.00 -0.48 1.10 -2.16 -0.54 0.00 0.00 174.62 172.54 2yro s PRO 13 N -4.01 -0.05 0.11 3.99 0.04 -1.26 -5.07 135.00 128.75 2yro s PRO 13 Ca 0.64 0.35 0.08 0.00 0.04 0.00 0.00 61.00 62.11 2yro s PRO 13 Cb -0.16 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 2yro s PRO 13 CO 0.36 -3.02 -0.13 1.14 0.04 0.00 0.00 177.00 175.39 2yro s GLN 14 N -5.06 2.00 0.67 4.56 0.00 -1.26 -4.72 119.66 115.84 2yro s GLN 14 Ca 0.67 -1.09 0.04 0.00 -0.00 0.00 0.00 55.36 54.98 2yro s GLN 14 Cb -0.17 -2.23 0.12 0.00 0.00 0.00 0.00 33.01 30.73 2yro s GLN 14 CO 0.57 0.49 0.92 -0.51 0.00 0.00 0.00 175.29 176.77 2yro s LEU 15 N -2.22 3.00 0.19 2.60 1.43 -1.12 -5.00 118.68 117.57 2yro s LEU 15 Ca 0.20 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 2yro s LEU 15 Cb -0.11 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2yro s LEU 15 CO 0.13 -1.69 0.07 -0.55 0.23 0.00 0.00 176.35 174.54 2yro s SER 16 N -4.74 0.75 0.13 2.29 0.15 -1.26 -4.36 113.70 106.66 2yro s SER 16 Ca 0.65 -1.30 0.09 0.00 0.70 0.00 0.00 55.95 56.10 2yro s SER 16 Cb -0.05 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.45 2yro s SER 16 CO 0.42 -0.72 -0.18 -0.76 1.20 0.00 0.00 173.24 173.20 2yro s LEU 17 N -3.18 2.69 0.17 3.45 1.43 -1.26 -2.88 118.68 119.09 2yro s LEU 17 Ca 0.32 -0.60 -0.30 0.00 -1.03 0.00 0.00 54.13 52.51 2yro s LEU 17 Cb 0.07 -1.51 -0.08 0.00 0.03 0.00 0.00 46.19 44.70 2yro s LEU 17 CO 0.08 0.16 1.32 -2.16 0.23 0.00 0.00 176.35 175.99 2yro s PRO 18 N -2.26 4.37 -0.41 1.29 0.04 -1.26 -5.05 135.00 131.72 2yro s PRO 18 Ca 0.19 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 63.07 2yro s PRO 18 Cb -0.10 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.24 2yro s PRO 18 CO 0.10 -0.30 0.62 0.12 0.04 0.00 0.00 177.00 177.58 2yro s PHE 19 N 0.43 3.10 -0.32 0.56 5.36 0.54 -4.95 117.98 122.70 2yro s PHE 19 Ca 0.59 0.04 0.01 0.00 -0.96 0.00 0.00 56.93 56.62 2yro s PHE 19 Cb -0.36 -3.24 0.10 0.00 -0.34 0.00 0.00 43.02 39.17 2yro s PHE 19 CO 0.35 -0.78 0.07 0.00 -1.46 0.00 0.00 175.22 173.41 2yro s ALA 20 N 2.73 2.10 0.02 11.12 0.00 -1.26 -0.23 121.76 136.24 2yro s ALA 20 Ca 0.22 -1.99 0.01 0.00 0.00 0.00 0.00 51.96 50.20 2yro s ALA 20 Cb -0.14 -1.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 2yro s ALA 20 CO 0.17 -1.64 -0.05 0.00 0.00 0.00 0.00 175.76 174.24 2yro s ALA 21 N 1.32 0.38 -0.02 0.00 0.00 -1.00 -5.01 121.76 117.43 2yro s ALA 21 Ca 0.09 -0.47 -0.06 0.00 0.00 0.00 0.00 51.96 51.52 2yro s ALA 21 Cb -0.18 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2yro s ALA 21 CO -0.17 -0.00 0.23 -0.98 0.00 0.00 0.00 175.76 174.83 2yro s ARG 22 N -0.92 3.52 -0.06 0.00 1.70 -1.26 -1.18 118.95 120.76 2yro s ARG 22 Ca -0.06 -0.15 -0.29 0.00 -0.47 0.00 0.00 55.73 54.76 2yro s ARG 22 Cb -0.06 -3.10 -0.02 0.00 -0.57 0.00 0.00 34.95 31.19 2yro s ARG 22 CO -0.00 0.68 0.94 -0.51 -1.08 0.00 0.00 175.30 175.33 2yro s LEU 23 N -1.69 4.31 0.38 -1.89 1.43 -1.14 -4.92 118.68 115.17 2yro s LEU 23 Ca 0.25 1.52 0.24 0.00 -1.03 0.00 0.00 54.13 55.11 2yro s LEU 23 Cb -0.13 -3.47 1.36 0.00 0.03 0.00 0.00 46.19 43.98 2yro s LEU 23 CO 0.15 -0.31 1.54 -3.20 0.23 0.00 0.00 176.35 174.76 2yro n ASN 24 N 4.35 0.30 -4.29 2.29 2.85 -1.26 -4.37 115.26 115.13 2yro n ASN 24 Ca 0.06 1.54 -0.21 0.00 -0.11 0.00 0.00 54.58 55.86 2yro n ASN 24 Cb 0.50 -0.76 -0.12 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 -5.41 1.63 0.07 -0.44 -4.23 -1.26 -5.12 115.64 100.88 2yro s THR 25 Ca -0.08 -1.72 -0.31 0.00 -1.18 0.00 0.00 61.69 58.40 2yro s THR 25 Cb 0.32 -1.63 -0.07 0.00 1.34 0.00 0.00 72.50 72.46 2yro s THR 25 CO 0.77 -0.25 1.40 -2.16 -0.54 0.00 0.00 174.62 173.84 2yro s PRO 26 N -2.43 4.31 0.81 3.99 0.04 -1.26 -4.88 135.00 135.58 2yro s PRO 26 Ca 0.10 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.07 2yro s PRO 26 Cb -0.07 -3.39 0.18 0.00 0.04 0.00 0.00 34.50 31.26 2yro s PRO 26 CO 0.05 -0.49 1.10 0.00 0.04 0.00 0.00 177.00 177.70 2yro n MET 27 N 4.55 -0.85 0.00 4.56 0.00 -0.57 -4.95 117.12 119.85 2yro n MET 27 Ca 0.12 -1.98 0.00 0.00 0.00 0.00 0.00 57.70 55.84 2yro n MET 27 Cb 0.43 -1.05 0.00 0.00 0.00 0.00 0.00 33.22 32.60 2yro n MET 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2yro n GLY 28 N -2.46 -0.61 3.77 3.17 0.00 -1.24 -3.81 105.19 104.00 2yro n GLY 28 Ca 0.15 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.51 3.86 0.00 1.61 0.04 -1.26 -3.03 135.00 134.72 2yro s PRO 29 Ca 0.00 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2yro s PRO 29 Cb 0.00 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 32.03 2yro s PRO 29 CO 0.00 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.97 2yro n GLY 30 N 0.52 2.88 3.85 0.56 0.00 0.42 -4.98 105.19 108.44 2yro n GLY 30 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.05 3.93 -0.17 1.61 1.81 -1.17 -4.61 118.95 120.30 2yro s ARG 31 Ca 0.00 0.91 -0.02 0.00 -1.72 0.00 0.00 55.73 54.90 2yro s ARG 31 Cb 0.00 -2.15 0.05 0.00 -0.45 0.00 0.00 34.95 32.40 2yro s ARG 31 CO 0.00 -0.26 0.01 0.99 -0.68 0.00 0.00 175.30 175.36 2yro s THR 32 N -2.62 0.67 -0.31 0.02 2.01 -0.26 -2.85 115.64 112.30 2yro s THR 32 Ca 0.58 -0.49 -0.08 0.00 0.31 0.00 0.00 61.69 62.01 2yro s THR 32 Cb -0.10 -1.04 0.01 0.00 0.01 0.00 0.00 72.50 71.38 2yro s THR 32 CO 0.32 -0.06 0.12 -0.69 -0.69 0.00 0.00 174.62 173.62 2yro s VAL 33 N 1.81 4.23 0.08 3.82 1.01 -0.29 -0.70 120.40 130.36 2yro s VAL 33 Ca 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.33 2yro s VAL 33 Cb -0.16 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2yro s VAL 33 CO -0.07 0.01 0.17 0.68 0.00 0.00 0.00 175.10 175.88 2yro s VAL 34 N 1.53 5.01 -0.28 2.92 -7.23 0.14 -0.99 120.40 121.50 2yro s VAL 34 Ca 0.03 -0.61 0.01 0.00 -1.81 0.00 0.00 61.98 59.60 2yro s VAL 34 Cb -0.18 -3.46 0.08 0.00 0.56 0.00 0.00 36.38 33.39 2yro s VAL 34 CO 0.04 0.09 0.00 -0.69 -0.31 0.00 0.00 175.10 174.23 2yro s VAL 35 N -1.51 1.64 -0.26 1.32 1.01 0.05 -2.42 120.40 120.23 2yro s VAL 35 Ca 0.33 -1.58 -0.15 0.00 0.00 0.00 0.00 61.98 60.58 2yro s VAL 35 Cb -0.12 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 2yro s VAL 35 CO 0.26 -0.34 0.38 -0.54 0.00 0.00 0.00 175.10 174.85 2yro s LYS 36 N 1.29 4.04 0.00 2.72 1.02 -1.10 -2.85 119.74 124.86 2yro s LYS 36 Ca 0.02 0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.06 2yro s LYS 36 Cb -0.19 -3.64 0.00 0.00 -0.52 0.00 0.00 37.83 33.48 2yro s LYS 36 CO -0.10 -0.25 0.00 0.41 -0.92 0.00 0.00 175.35 174.49 2yro n GLY 37 N 4.59 2.53 3.25 -3.33 0.00 -1.24 -2.33 105.19 108.65 2yro n GLY 37 Ca -0.08 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 2yro n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yro s GLU 38 N 0.19 0.85 -0.03 1.61 2.02 -0.59 -3.56 118.70 119.18 2yro s GLU 38 Ca 0.00 -0.62 -0.00 0.00 0.02 0.00 0.00 54.97 54.36 2yro s GLU 38 Cb 0.00 0.36 -0.04 0.00 0.10 0.00 0.00 34.13 34.56 2yro s GLU 38 CO 0.00 -0.28 0.04 0.08 0.02 0.00 0.00 175.26 175.12 2yro s VAL 39 N -2.97 4.48 0.50 2.63 1.01 -0.69 -0.80 120.40 124.57 2yro s VAL 39 Ca -0.02 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 2yro s VAL 39 Cb 0.01 -2.99 -0.08 0.00 0.00 0.00 0.00 36.38 33.31 2yro s VAL 39 CO -0.06 0.43 0.99 0.20 0.00 0.00 0.00 175.10 176.66 2yro s ASN 40 N -1.45 6.59 0.23 3.32 0.01 -1.25 -0.54 114.94 121.85 2yro s ASN 40 Ca 0.19 1.66 -0.07 0.00 -0.71 0.00 0.00 52.86 53.93 2yro s ASN 40 Cb -0.12 -2.52 0.22 0.00 0.41 0.00 0.00 41.25 39.23 2yro s ASN 40 CO 0.10 -0.61 1.89 0.00 -1.51 0.00 0.00 177.10 176.97 2yro h ALA 41 N 1.18 1.15 -0.84 0.60 0.00 -1.93 -2.39 119.26 117.03 2yro h ALA 41 Ca -0.48 -0.08 -0.51 0.00 0.00 0.00 0.00 54.91 53.84 2yro h ALA 41 Cb 1.19 -0.37 -0.27 0.00 0.00 0.00 0.00 17.79 18.34 2yro h ALA 41 CO 0.61 0.59 0.43 0.09 0.00 0.00 0.00 179.25 180.97 2yro n ASN 42 N -4.41 4.90 -4.71 0.00 3.02 -1.26 -4.71 115.26 108.09 2yro n ASN 42 Ca 0.10 -3.72 -0.41 0.00 -0.03 0.00 0.00 54.58 50.51 2yro n ASN 42 Cb 0.04 -0.80 -0.03 0.00 -0.61 0.00 0.00 39.78 38.38 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 -3.50 3.26 -0.06 5.41 0.00 -0.92 -4.98 121.76 120.98 2yro s ALA 43 Ca 0.57 0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 2yro s ALA 43 Cb 0.47 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 20.27 2yro s ALA 43 CO 0.04 -0.27 0.51 -0.22 0.00 0.00 0.00 175.76 175.81 2yro h LYS 44 N 6.86 -0.34 -1.20 0.00 3.64 -1.90 -3.47 116.57 120.16 2yro h LYS 44 Ca -0.39 0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.21 2yro h LYS 44 Cb 1.20 0.08 -0.26 0.00 -0.41 0.00 0.00 32.23 32.83 2yro h LYS 44 CO 0.77 -0.16 0.84 -1.54 -2.27 0.00 0.00 179.45 177.09 2yro s SER 45 N -5.18 -0.13 0.50 4.20 1.04 -1.26 -3.74 113.70 109.12 2yro s SER 45 Ca -0.07 0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.54 2yro s SER 45 Cb 0.00 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 2yro s SER 45 CO 0.22 -0.12 0.10 0.72 0.98 0.00 0.00 173.24 175.14 2yro s PHE 46 N -0.99 1.94 -0.15 5.02 -0.71 -1.26 -3.15 117.98 118.67 2yro s PHE 46 Ca 0.06 -0.87 -0.28 0.00 -1.04 0.00 0.00 56.93 54.79 2yro s PHE 46 Cb -0.01 -1.72 0.07 0.00 -1.21 0.00 0.00 43.02 40.15 2yro s PHE 46 CO -0.06 0.10 0.71 0.54 -1.34 0.00 0.00 175.22 175.17 2yro s ASN 47 N -3.95 -0.70 -0.36 1.98 4.22 0.22 -3.05 114.94 113.31 2yro s ASN 47 Ca 0.17 1.05 0.03 0.00 -2.14 0.00 0.00 52.86 51.98 2yro s ASN 47 Cb 0.02 0.97 0.10 0.00 1.28 0.00 0.00 41.25 43.62 2yro s ASN 47 CO 0.10 -0.44 0.08 -0.69 -2.04 0.00 0.00 177.10 174.11 2yro s VAL 48 N -0.45 2.42 -0.40 3.54 1.01 -0.92 -1.73 120.40 123.87 2yro s VAL 48 Ca -0.06 -2.37 -0.22 0.00 0.00 0.00 0.00 61.98 59.33 2yro s VAL 48 Cb -0.02 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.61 2yro s VAL 48 CO 0.06 -0.62 0.75 -1.81 0.00 0.00 0.00 175.10 173.47 2yro s ASP 49 N 0.95 6.45 -0.38 3.32 1.01 0.76 -3.46 116.67 125.31 2yro s ASP 49 Ca 0.11 0.07 -0.09 0.00 0.71 0.00 0.00 52.55 53.35 2yro s ASP 49 Cb -0.20 -2.37 0.05 0.00 1.01 0.00 0.00 42.92 41.41 2yro s ASP 49 CO -0.07 -0.79 0.20 -0.22 0.21 0.00 0.00 175.17 174.49 2yro s LEU 50 N 3.10 4.78 0.41 1.23 2.96 -1.02 -1.39 118.68 128.75 2yro s LEU 50 Ca 0.29 -1.25 0.05 0.00 -0.22 0.00 0.00 54.13 53.00 2yro s LEU 50 Cb -0.13 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 2yro s LEU 50 CO 0.19 -0.43 0.03 -1.48 -1.32 0.00 0.00 176.35 173.35 2yro s LEU 51 N 1.45 2.47 -0.07 -0.68 0.05 -1.23 -0.45 118.68 120.22 2yro s LEU 51 Ca 0.01 -1.47 -0.01 0.00 0.05 0.00 0.00 54.13 52.71 2yro s LEU 51 Cb -0.21 -0.64 -0.03 0.00 -2.05 0.00 0.00 46.19 43.26 2yro s LEU 51 CO 0.04 -0.63 0.01 0.00 -0.55 0.00 0.00 176.35 175.21 2yro s ALA 52 N -2.95 3.31 -1.15 1.48 0.00 -1.07 -2.84 121.76 118.53 2yro s ALA 52 Ca 0.28 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.41 2yro s ALA 52 Cb 0.07 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.72 2yro s ALA 52 CO 0.14 0.60 0.53 0.41 0.00 0.00 0.00 175.76 177.44 2yro n GLY 53 N 1.97 1.04 0.12 0.00 0.00 -1.26 -1.87 105.19 105.19 2yro n GLY 53 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.04 0.50 -0.47 1.61 0.00 -1.26 -4.75 118.16 113.75 2yro n LYS 54 Ca 0.00 0.20 0.07 0.00 0.00 0.00 0.00 58.31 58.58 2yro n LYS 54 Cb 0.20 -1.37 0.18 0.00 0.00 0.00 0.00 35.03 34.03 2yro n LYS 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2yro n SER 55 N -4.38 1.85 -4.17 3.14 2.88 -1.25 -4.98 113.62 106.71 2yro n SER 55 Ca -0.13 -3.55 -0.33 0.00 -1.33 0.00 0.00 58.87 53.53 2yro n SER 55 Cb 0.49 -0.48 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 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 -1.14 -0.85 -3.79 -1.46 4.01 -0.78 -4.88 118.16 109.26 2yro n LYS 56 Ca 0.17 0.10 -0.36 0.00 -0.51 0.00 0.00 58.31 57.71 2yro n LYS 56 Cb 0.69 -3.67 -0.13 0.00 -0.51 0.00 0.00 35.03 31.42 2yro n LYS 56 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2yro s ASP 57 N -3.68 4.92 -0.39 4.39 1.01 -1.25 -4.87 116.67 116.80 2yro s ASP 57 Ca 0.34 -0.42 -0.28 0.00 0.71 0.00 0.00 52.55 52.90 2yro s ASP 57 Cb -0.20 -1.86 -0.02 0.00 1.01 0.00 0.00 42.92 41.84 2yro s ASP 57 CO 0.91 -0.08 1.86 -0.63 0.21 0.00 0.00 175.17 177.43 2yro s ILE 58 N 1.54 3.41 0.05 0.77 1.01 -0.81 -2.61 121.20 124.56 2yro s ILE 58 Ca 0.05 0.39 -0.24 0.00 0.00 0.00 0.00 60.65 60.85 2yro s ILE 58 Cb -0.16 -3.65 -0.16 0.00 0.01 0.00 0.00 42.46 38.50 2yro s ILE 58 CO 0.01 -0.47 1.58 0.00 0.00 0.00 0.00 174.94 176.07 2yro h ALA 59 N 13.69 0.02 -3.63 9.38 0.00 -1.04 -3.13 119.26 134.55 2yro h ALA 59 Ca -0.32 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.26 2yro h ALA 59 Cb 1.17 -0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.69 2yro h ALA 59 CO 1.07 -0.40 -0.73 -1.17 0.00 0.00 0.00 179.25 178.02 2yro s LEU 60 N -9.86 2.05 -0.30 0.00 2.96 -1.15 -3.73 118.68 108.65 2yro s LEU 60 Ca -0.14 -0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 53.64 2yro s LEU 60 Cb 0.05 -0.06 0.09 0.00 0.50 0.00 0.00 46.19 46.78 2yro s LEU 60 CO 0.67 -0.04 0.08 -2.28 -1.32 0.00 0.00 176.35 173.45 2yro s HIS 61 N -0.32 2.00 -0.40 5.38 5.65 -0.33 -2.42 115.29 124.85 2yro s HIS 61 Ca -0.03 -1.86 -0.04 0.00 0.25 0.00 0.00 55.06 53.39 2yro s HIS 61 Cb -0.03 -1.83 0.10 0.00 -1.18 0.00 0.00 32.58 29.64 2yro s HIS 61 CO -0.00 -0.86 0.18 -0.51 -0.65 0.00 0.00 174.74 172.90 2yro s LEU 62 N 1.52 5.05 -0.40 8.88 1.43 -1.23 -2.72 118.68 131.21 2yro s LEU 62 Ca 0.08 -1.84 -0.01 0.00 -1.03 0.00 0.00 54.13 51.33 2yro s LEU 62 Cb -0.18 -1.84 0.11 0.00 0.03 0.00 0.00 46.19 44.32 2yro s LEU 62 CO -0.20 -0.50 0.17 0.21 0.23 0.00 0.00 176.35 176.26 2yro s ASN 63 N 1.80 5.12 0.93 2.29 3.04 -1.13 -2.15 114.94 124.84 2yro s ASN 63 Ca 0.05 -2.11 -0.12 0.00 0.04 0.00 0.00 52.86 50.72 2yro s ASN 63 Cb -0.22 -1.78 0.15 0.00 -1.54 0.00 0.00 41.25 37.86 2yro s ASN 63 CO -0.03 -0.49 1.09 -2.16 -3.04 0.00 0.00 177.10 172.47 2yro s PRO 64 N 1.01 0.95 -0.06 0.43 0.04 -1.17 -2.98 135.00 133.22 2yro s PRO 64 Ca 0.09 0.70 -0.02 0.00 0.04 0.00 0.00 61.00 61.81 2yro s PRO 64 Cb -0.22 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.58 2yro s PRO 64 CO -0.05 -2.42 0.13 1.03 0.04 0.00 0.00 177.00 175.72 2yro s ARG 65 N -4.95 0.07 -0.17 4.56 0.52 -0.09 -4.10 118.95 114.78 2yro s ARG 65 Ca 0.64 0.36 -0.11 0.00 -0.52 0.00 0.00 55.73 56.10 2yro s ARG 65 Cb -0.18 -0.20 -0.22 0.00 0.52 0.00 0.00 34.95 34.87 2yro s ARG 65 CO 0.57 -0.18 0.22 1.28 0.02 0.00 0.00 175.30 177.21 2yro n LEU 66 N 4.29 2.39 0.00 2.53 4.77 -1.25 -2.12 117.00 127.62 2yro n LEU 66 Ca -0.25 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2yro n LEU 66 Cb 0.51 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 2yro n LEU 66 CO 0.17 0.67 0.35 -3.20 -1.33 0.00 0.00 177.39 174.05 2yro n ASN 67 N -3.80 0.00 0.05 -1.43 2.85 -1.26 -1.67 115.26 109.99 2yro n ASN 67 Ca -0.35 0.70 0.13 0.00 -0.11 0.00 0.00 54.58 54.95 2yro n ASN 67 Cb 0.92 -0.22 0.40 0.00 1.24 0.00 0.00 39.78 42.12 2yro n ASN 67 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2yro n ILE 68 N -1.90 0.27 -2.80 -1.44 -0.00 -1.26 -4.95 119.36 107.28 2yro n ILE 68 Ca 0.00 -0.15 -0.09 0.00 -0.00 0.00 0.00 62.75 62.50 2yro n ILE 68 Cb 0.00 -0.34 0.05 0.00 -0.00 0.00 0.00 39.64 39.35 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 -1.88 -3.58 -4.46 6.28 4.76 -0.67 -5.05 118.16 113.56 2yro n LYS 69 Ca 0.06 0.44 -0.24 0.00 -2.87 0.00 0.00 58.31 55.70 2yro n LYS 69 Cb 0.39 -4.26 -0.10 0.00 -1.84 0.00 0.00 35.03 29.22 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 -3.18 2.69 -0.16 7.82 0.00 -0.90 -4.71 121.76 123.32 2yro s ALA 70 Ca 0.05 -1.85 0.01 0.00 0.00 0.00 0.00 51.96 50.17 2yro s ALA 70 Cb -0.02 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.85 2yro s ALA 70 CO 0.38 0.28 -0.18 0.12 0.00 0.00 0.00 175.76 176.36 2yro s PHE 71 N -2.47 2.75 -0.20 0.00 2.19 -1.26 -0.92 117.98 118.08 2yro s PHE 71 Ca 0.29 -1.34 -0.11 0.00 0.33 0.00 0.00 56.93 56.09 2yro s PHE 71 Cb -0.05 -1.89 -0.05 0.00 -1.31 0.00 0.00 43.02 39.72 2yro s PHE 71 CO 0.14 -0.64 0.19 0.08 1.83 0.00 0.00 175.22 176.83 2yro s VAL 72 N 1.02 5.36 -0.11 3.12 1.01 -1.16 -3.94 120.40 125.70 2yro s VAL 72 Ca -0.02 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.29 2yro s VAL 72 Cb -0.15 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.72 2yro s VAL 72 CO -0.05 0.39 -0.13 -0.13 0.00 0.00 0.00 175.10 175.18 2yro s ARG 73 N 0.60 2.04 0.18 2.72 3.00 -1.26 -2.83 118.95 123.41 2yro s ARG 73 Ca 0.11 -0.48 -0.23 0.00 0.00 0.00 0.00 55.73 55.13 2yro s ARG 73 Cb -0.12 -1.82 0.07 0.00 0.00 0.00 0.00 34.95 33.07 2yro s ARG 73 CO 0.01 -0.13 0.99 1.21 0.00 0.00 0.00 175.30 177.39 2yro s ASN 74 N 1.21 -0.07 0.03 0.23 2.47 -1.10 -3.79 114.94 113.92 2yro s ASN 74 Ca -0.03 -0.60 0.02 0.00 0.42 0.00 0.00 52.86 52.67 2yro s ASN 74 Cb -0.14 0.52 -0.02 0.00 -1.45 0.00 0.00 41.25 40.16 2yro s ASN 74 CO -0.04 -1.00 -0.06 -0.55 -3.72 0.00 0.00 177.10 171.72 2yro s SER 75 N -3.19 0.69 -0.39 -4.21 0.15 -1.26 -1.19 113.70 104.30 2yro s SER 75 Ca 0.17 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2yro s SER 75 Cb -0.02 0.04 0.11 0.00 -1.71 0.00 0.00 66.02 64.43 2yro s SER 75 CO 0.04 -0.19 0.15 0.12 1.20 0.00 0.00 173.24 174.56 2yro s PHE 76 N -1.24 3.65 -0.06 3.44 5.36 -1.18 -2.35 117.98 125.60 2yro s PHE 76 Ca -0.10 -2.71 0.04 0.00 -0.96 0.00 0.00 56.93 53.21 2yro s PHE 76 Cb -0.09 -3.09 -0.00 0.00 -0.34 0.00 0.00 43.02 39.50 2yro s PHE 76 CO 0.00 -0.95 -0.20 -0.51 -1.46 0.00 0.00 175.22 172.10 2yro s LEU 77 N 0.96 1.94 -1.36 6.12 1.43 -0.98 -1.93 118.68 124.86 2yro s LEU 77 Ca 0.10 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 2yro s LEU 77 Cb -0.21 -1.14 0.02 0.00 0.03 0.00 0.00 46.19 44.89 2yro s LEU 77 CO -0.06 0.15 1.10 0.00 0.23 0.00 0.00 176.35 177.77 2yro n GLN 78 N 3.33 -7.21 -3.84 1.70 6.02 -1.26 -2.01 117.38 114.11 2yro n GLN 78 Ca -0.19 0.79 -0.27 0.00 -0.01 0.00 0.00 57.00 57.32 2yro n GLN 78 Cb 0.53 -5.79 0.03 0.00 1.02 0.00 0.00 30.24 26.03 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 -4.77 -5.29 -3.71 -1.09 1.02 -1.26 -4.98 120.64 100.56 2yro n GLU 79 Ca -0.05 0.60 -0.15 0.00 -0.02 0.00 0.00 57.16 57.54 2yro n GLU 79 Cb 0.58 -5.36 -0.15 0.00 -0.02 0.00 0.00 31.44 26.49 2yro n GLU 79 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2yro s SER 80 N -3.71 0.25 0.05 1.62 0.01 -0.85 -5.14 113.70 105.91 2yro s SER 80 Ca 0.41 0.31 -0.21 0.00 1.31 0.00 0.00 55.95 57.78 2yro s SER 80 Cb -0.20 0.22 -0.06 0.00 0.21 0.00 0.00 66.02 66.19 2yro s SER 80 CO 0.82 -0.19 0.62 0.26 0.41 0.00 0.00 173.24 175.16 2yro s TRP 81 N 1.64 3.76 0.00 2.43 0.52 -1.26 -2.31 118.94 123.72 2yro s TRP 81 Ca -0.04 1.30 0.00 0.00 0.02 0.00 0.00 56.10 57.38 2yro s TRP 81 Cb -0.12 -2.60 0.00 0.00 -1.15 0.00 0.00 33.47 29.60 2yro s TRP 81 CO -0.06 0.45 0.00 0.41 0.02 0.00 0.00 176.95 177.77 2yro n GLY 82 N 2.07 0.95 3.79 0.98 0.00 -0.99 -5.02 105.19 106.97 2yro n GLY 82 Ca -0.08 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 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 0.56 2.88 -0.13 1.61 2.12 -1.26 -4.95 118.70 119.53 2yro s GLU 83 Ca 0.00 -0.85 0.02 0.00 0.36 0.00 0.00 54.97 54.50 2yro s GLU 83 Cb 0.00 -2.65 0.01 0.00 0.26 0.00 0.00 34.13 31.75 2yro s GLU 83 CO 0.00 0.49 -0.20 -1.21 -0.54 0.00 0.00 175.26 173.80 2yro s GLU 84 N -2.99 2.79 -0.17 4.30 2.02 -1.26 -4.16 118.70 119.22 2yro s GLU 84 Ca 0.31 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.54 2yro s GLU 84 Cb -0.10 -2.26 0.02 0.00 0.10 0.00 0.00 34.13 31.89 2yro s GLU 84 CO 0.23 -0.01 -0.20 -1.83 0.02 0.00 0.00 175.26 173.47 2yro s GLU 85 N 0.82 2.95 -0.80 1.61 -1.05 -1.25 -4.94 118.70 116.05 2yro s GLU 85 Ca -0.08 -0.82 -0.06 0.00 -0.15 0.00 0.00 54.97 53.87 2yro s GLU 85 Cb -0.16 -2.53 0.20 0.00 -0.44 0.00 0.00 34.13 31.21 2yro s GLU 85 CO -0.01 -0.19 0.68 1.03 0.95 0.00 0.00 175.26 177.72 2yro s ARG 86 N 1.25 3.17 -0.22 -4.83 3.00 -1.25 -4.05 118.95 116.02 2yro s ARG 86 Ca 0.04 -2.80 -0.04 0.00 0.00 0.00 0.00 55.73 52.92 2yro s ARG 86 Cb -0.13 -4.04 0.08 0.00 0.00 0.00 0.00 34.95 30.86 2yro s ARG 86 CO -0.12 -1.23 0.14 1.21 0.00 0.00 0.00 175.30 175.30 2yro s ASN 87 N 0.83 2.54 -0.00 0.23 3.84 -1.26 -4.87 114.94 116.25 2yro s ASN 87 Ca 0.22 -0.78 -0.01 0.00 0.21 0.00 0.00 52.86 52.49 2yro s ASN 87 Cb -0.13 -0.13 -0.00 0.00 -0.55 0.00 0.00 41.25 40.43 2yro s ASN 87 CO -0.08 -0.38 0.01 0.27 -2.79 0.00 0.00 177.10 174.14 2yro s ILE 88 N 2.17 0.03 0.21 -5.21 -4.36 -1.26 -4.97 121.20 107.81 2yro s ILE 88 Ca 0.05 -0.25 -0.06 0.00 -0.26 0.00 0.00 60.65 60.14 2yro s ILE 88 Cb -0.16 -0.11 0.07 0.00 1.25 0.00 0.00 42.46 43.51 2yro s ILE 88 CO -0.20 -0.14 1.66 0.00 0.24 0.00 0.00 174.94 176.51 2yro h THR 89 N 4.97 1.26 -2.41 8.37 1.03 -1.98 -3.46 112.91 120.69 2yro h THR 89 Ca -0.26 -1.17 -0.04 0.00 -0.01 0.00 0.00 66.41 64.92 2yro h THR 89 Cb 1.21 0.93 -0.16 0.00 -1.07 0.00 0.00 68.15 69.06 2yro h THR 89 CO 0.47 0.41 0.19 -0.55 -0.01 0.00 0.00 175.52 176.04 2yro s SER 90 N -6.65 -0.62 -0.54 0.00 0.15 -1.26 -5.12 113.70 99.66 2yro s SER 90 Ca -0.11 0.43 -0.17 0.00 0.70 0.00 0.00 55.95 56.80 2yro s SER 90 Cb 0.14 0.56 0.11 0.00 -1.71 0.00 0.00 66.02 65.12 2yro s SER 90 CO 0.84 -0.75 0.55 0.12 1.20 0.00 0.00 173.24 175.20 2yro s PHE 91 N -2.22 3.17 -0.56 3.44 5.36 -1.26 -4.90 117.98 121.00 2yro s PHE 91 Ca -0.06 -1.09 0.22 0.00 -0.96 0.00 0.00 56.93 55.04 2yro s PHE 91 Cb -0.00 -3.73 0.92 0.00 -0.34 0.00 0.00 43.02 39.87 2yro s PHE 91 CO 0.01 -1.06 1.67 -0.35 -1.46 0.00 0.00 175.22 174.03 2yro n PRO 92 N 5.60 0.16 -2.91 10.12 -0.04 -1.26 -4.72 135.00 141.96 2yro n PRO 92 Ca -0.12 0.40 -0.40 0.00 -0.04 0.00 0.00 63.50 63.34 2yro n PRO 92 Cb 0.42 -1.81 -0.05 0.00 -0.04 0.00 0.00 33.50 32.01 2yro n PRO 92 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2yro s PHE 93 N -3.27 3.75 -0.01 0.54 0.08 -1.26 -5.03 117.98 112.78 2yro s PHE 93 Ca 0.04 1.56 -0.07 0.00 0.12 0.00 0.00 56.93 58.59 2yro s PHE 93 Cb 0.09 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.66 2yro s PHE 93 CO 0.37 0.25 0.14 -1.12 -0.10 0.00 0.00 175.22 174.76 2yro s SER 94 N -0.00 -0.01 -0.07 1.36 0.01 -1.26 -4.96 113.70 108.77 2yro s SER 94 Ca 0.41 -0.11 -0.30 0.00 1.31 0.00 0.00 55.95 57.26 2yro s SER 94 Cb -0.21 0.23 -0.05 0.00 0.21 0.00 0.00 66.02 66.20 2yro s SER 94 CO 0.25 -0.32 1.50 -2.16 0.41 0.00 0.00 173.24 172.92 2yro s PRO 95 N -1.14 4.22 0.00 12.44 0.04 -1.26 -3.31 135.00 145.99 2yro s PRO 95 Ca -0.12 2.01 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2yro s PRO 95 Cb -0.07 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.65 2yro s PRO 95 CO 0.01 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.71 2yro n GLY 96 N 3.89 0.83 3.28 0.56 0.00 0.30 -4.57 105.19 109.47 2yro n GLY 96 Ca 0.15 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 2yro n GLY 96 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2yro s MET 97 N -3.70 1.23 -0.28 1.61 0.23 -1.21 -4.95 119.30 112.23 2yro s MET 97 Ca 0.00 -1.49 -0.09 0.00 -1.03 0.00 0.00 55.69 53.08 2yro s MET 97 Cb 0.00 0.31 -0.03 0.00 -1.53 0.00 0.00 34.83 33.59 2yro s MET 97 CO 0.00 -0.42 0.13 -0.47 -2.03 0.00 0.00 175.02 172.23 2yro s TYR 98 N -4.10 3.15 -0.04 3.16 6.14 -1.26 -1.70 117.35 122.70 2yro s TYR 98 Ca 0.32 -0.33 0.06 0.00 0.64 0.00 0.00 57.07 57.76 2yro s TYR 98 Cb 0.05 -2.32 -0.02 0.00 0.42 0.00 0.00 41.96 40.10 2yro s TYR 98 CO 0.09 -0.34 -0.22 -0.59 0.64 0.00 0.00 175.55 175.13 2yro s PHE 99 N 1.65 2.47 -0.22 4.97 -0.12 -1.23 -4.97 117.98 120.52 2yro s PHE 99 Ca 0.06 -0.41 0.02 0.00 -0.05 0.00 0.00 56.93 56.55 2yro s PHE 99 Cb -0.16 -1.56 0.04 0.00 -0.63 0.00 0.00 43.02 40.71 2yro s PHE 99 CO 0.06 -0.01 -0.15 -2.00 -0.05 0.00 0.00 175.22 173.08 2yro s GLU 100 N -0.54 2.55 -0.19 1.99 2.12 -1.26 -3.69 118.70 119.68 2yro s GLU 100 Ca 0.08 -1.09 -0.13 0.00 0.36 0.00 0.00 54.97 54.19 2yro s GLU 100 Cb -0.11 -2.72 -0.05 0.00 0.26 0.00 0.00 34.13 31.51 2yro s GLU 100 CO 0.00 -0.41 0.24 1.41 -0.54 0.00 0.00 175.26 175.97 2yro s MET 101 N 1.20 4.21 -0.32 4.30 -2.45 -1.13 -2.76 119.30 122.35 2yro s MET 101 Ca -0.02 -0.03 0.00 0.00 -1.25 0.00 0.00 55.69 54.39 2yro s MET 101 Cb -0.17 -3.45 0.07 0.00 1.25 0.00 0.00 34.83 32.53 2yro s MET 101 CO -0.09 0.20 0.02 0.42 1.05 0.00 0.00 175.02 176.62 2yro s ILE 102 N 0.63 2.70 -0.51 10.11 1.01 -0.71 -0.77 121.20 133.66 2yro s ILE 102 Ca 0.13 -1.78 -0.19 0.00 0.00 0.00 0.00 60.65 58.81 2yro s ILE 102 Cb -0.13 -2.71 0.06 0.00 0.01 0.00 0.00 42.46 39.69 2yro s ILE 102 CO 0.03 -0.31 0.64 -0.63 0.00 0.00 0.00 174.94 174.67 2yro s ILE 103 N 1.12 4.85 -0.07 2.92 1.01 -0.16 -2.97 121.20 127.90 2yro s ILE 103 Ca -0.00 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.23 2yro s ILE 103 Cb -0.20 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 37.93 2yro s ILE 103 CO -0.04 -0.81 -0.08 -0.47 0.00 0.00 0.00 174.94 173.54 2yro s TYR 104 N 2.71 2.92 -0.30 3.97 5.04 -1.22 -1.14 117.35 129.33 2yro s TYR 104 Ca 0.16 -0.01 -0.06 0.00 -2.44 0.00 0.00 57.07 54.72 2yro s TYR 104 Cb -0.19 -1.71 0.02 0.00 0.35 0.00 0.00 41.96 40.43 2yro s TYR 104 CO 0.13 0.30 0.06 0.00 -1.34 0.00 0.00 175.55 174.70 2yro n ASP 106 N 4.82 5.28 -1.95 0.00 -0.08 -1.26 -0.44 116.55 122.92 2yro n ASP 106 Ca -0.14 -2.98 -0.17 0.00 -1.51 0.00 0.00 54.79 49.98 2yro n ASP 106 Cb 0.47 -0.66 -0.04 0.00 2.34 0.00 0.00 41.12 43.23 2yro n ASP 106 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2yro n VAL 107 N 0.31 -0.41 0.00 5.18 0.31 -1.26 -4.68 118.33 117.78 2yro n VAL 107 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 2yro n VAL 107 Cb 1.15 -2.04 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 -2.53 0.67 -3.62 5.55 5.12 -1.26 -5.11 116.66 115.48 2yro n ARG 108 Ca -0.19 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.71 2yro n ARG 108 Cb 0.61 -0.62 -0.01 0.00 -1.16 0.00 0.00 32.46 31.27 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 0.56 -0.53 5.56 -1.05 -1.26 -4.02 118.70 116.71 2yro s GLU 109 Ca 0.00 -0.27 -0.22 0.00 -0.15 0.00 0.00 54.97 54.33 2yro s GLU 109 Cb 0.00 0.22 0.05 0.00 -0.44 0.00 0.00 34.13 33.96 2yro s GLU 109 CO 0.00 -0.25 0.79 -0.06 0.95 0.00 0.00 175.26 176.69 2yro s PHE 110 N -2.66 2.91 0.24 4.83 0.08 0.17 -4.03 117.98 119.52 2yro s PHE 110 Ca 0.11 -0.29 -0.07 0.00 0.12 0.00 0.00 56.93 56.80 2yro s PHE 110 Cb 0.01 -3.83 -0.06 0.00 -0.57 0.00 0.00 43.02 38.57 2yro s PHE 110 CO -0.04 -1.21 0.53 0.15 -0.10 0.00 0.00 175.22 174.55 2yro s LYS 111 N 3.32 3.71 -0.26 0.44 1.02 -1.19 -1.78 119.74 125.00 2yro s LYS 111 Ca 0.23 0.13 -0.01 0.00 0.02 0.00 0.00 55.97 56.34 2yro s LYS 111 Cb -0.16 -2.67 0.14 0.00 -0.52 0.00 0.00 37.83 34.62 2yro s LYS 111 CO 0.15 0.30 0.37 0.54 -0.92 0.00 0.00 175.35 175.79 2yro s VAL 112 N -1.89 -0.57 -0.12 3.17 0.11 -1.24 -3.39 120.40 116.46 2yro s VAL 112 Ca 0.45 -0.21 -0.04 0.00 -2.93 0.00 0.00 61.98 59.26 2yro s VAL 112 Cb -0.11 -0.89 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2yro s VAL 112 CO 0.25 -0.23 0.03 0.00 -3.33 0.00 0.00 175.10 171.82 2yro s ALA 113 N 2.50 3.34 -0.05 1.54 0.00 -1.16 -4.02 121.76 123.91 2yro s ALA 113 Ca 0.11 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.35 2yro s ALA 113 Cb -0.14 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.31 2yro s ALA 113 CO -0.23 0.44 -0.23 0.08 0.00 0.00 0.00 175.76 175.82 2yro s VAL 114 N -0.43 2.22 -0.98 0.00 1.01 -0.57 -1.74 120.40 119.91 2yro s VAL 114 Ca 0.09 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2yro s VAL 114 Cb -0.12 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.45 2yro s VAL 114 CO 0.02 0.57 0.00 0.59 0.00 0.00 0.00 175.10 176.28 2yro n ASN 115 N 2.82 -3.75 -0.21 3.32 3.02 -1.11 -2.31 115.26 117.04 2yro n ASN 115 Ca -0.17 0.06 -0.03 0.00 -0.03 0.00 0.00 54.58 54.41 2yro n ASN 115 Cb 0.52 -2.78 -0.01 0.00 -0.61 0.00 0.00 39.78 36.90 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 -1.18 0.53 3.06 7.41 0.00 -1.26 -4.99 105.19 108.75 2yro n GLY 116 Ca -0.12 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 2yro n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yro s VAL 117 N -1.80 0.88 0.28 1.61 0.11 -0.98 -4.75 120.40 115.75 2yro s VAL 117 Ca 0.00 -0.50 -0.29 0.00 -2.93 0.00 0.00 61.98 58.26 2yro s VAL 117 Cb 0.00 -0.74 -0.10 0.00 -1.53 0.00 0.00 36.38 34.01 2yro s VAL 117 CO 0.00 0.23 1.36 -2.28 -3.33 0.00 0.00 175.10 171.09 2yro s HIS 118 N -0.29 3.06 0.02 1.54 2.46 -1.26 -1.51 115.29 119.30 2yro s HIS 118 Ca 0.04 1.23 -0.00 0.00 0.47 0.00 0.00 55.06 56.80 2yro s HIS 118 Cb -0.04 -3.73 -0.00 0.00 -0.13 0.00 0.00 32.58 28.68 2yro s HIS 118 CO -0.00 -2.20 -0.00 0.43 -2.47 0.00 0.00 174.74 170.50 2yro n SER 119 N 1.68 0.23 -3.99 9.88 7.64 -1.26 -4.90 113.62 122.91 2yro n SER 119 Ca 0.04 0.03 -0.08 0.00 1.01 0.00 0.00 58.87 59.87 2yro n SER 119 Cb 0.41 -0.09 -0.09 0.00 -1.01 0.00 0.00 64.21 63.43 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 -5.40 1.93 0.26 -3.43 -0.00 -1.26 -4.92 118.68 105.86 2yro s LEU 120 Ca -0.00 -0.86 0.06 0.00 -0.00 0.00 0.00 54.13 53.33 2yro s LEU 120 Cb 0.00 0.60 -0.06 0.00 -0.00 0.00 0.00 46.19 46.74 2yro s LEU 120 CO 0.00 -0.68 -0.06 -1.61 -0.00 0.00 0.00 176.35 174.01 2yro s GLU 121 N -3.90 1.48 -0.17 1.48 2.02 -1.26 -3.68 118.70 114.66 2yro s GLU 121 Ca 0.08 -1.74 -0.05 0.00 0.02 0.00 0.00 54.97 53.28 2yro s GLU 121 Cb 0.06 -1.05 0.08 0.00 0.10 0.00 0.00 34.13 33.33 2yro s GLU 121 CO -0.09 0.03 0.33 -0.47 0.02 0.00 0.00 175.26 175.08 2yro s TYR 122 N -3.08 -0.60 0.44 1.61 5.04 -0.73 -5.04 117.35 114.98 2yro s TYR 122 Ca 0.28 1.11 -0.22 0.00 -2.44 0.00 0.00 57.07 55.80 2yro s TYR 122 Cb 0.03 0.08 -0.12 0.00 0.35 0.00 0.00 41.96 42.30 2yro s TYR 122 CO 0.11 -0.46 0.59 1.63 -1.34 0.00 0.00 175.55 176.07 2yro n LYS 123 N 5.37 0.64 -1.54 4.97 4.01 -1.26 0.43 118.16 130.78 2yro n LYS 123 Ca -0.07 0.24 -0.21 0.00 -0.51 0.00 0.00 58.31 57.76 2yro n LYS 123 Cb 0.50 -1.59 -0.12 0.00 -0.51 0.00 0.00 35.03 33.31 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 -0.93 0.81 -0.27 2.13 8.25 -1.26 -4.41 115.22 119.54 2yro n HIS 124 Ca 0.11 0.03 -0.05 0.00 -0.26 0.00 0.00 57.72 57.56 2yro n HIS 124 Cb 0.40 -1.98 0.06 0.00 1.12 0.00 0.00 29.99 29.59 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 13.02 0.99 -6.59 -0.41 2.47 -1.82 -3.42 114.38 118.62 2yro h ARG 125 Ca -0.02 -0.06 -0.51 0.00 -1.26 0.00 0.00 59.98 58.12 2yro h ARG 125 Cb 1.09 -0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 29.17 2yro h ARG 125 CO 1.23 0.66 -0.01 0.12 0.56 0.00 0.00 179.97 182.54 2yro s PHE 126 N -6.12 3.40 -0.13 3.04 5.36 -1.24 -5.03 117.98 117.25 2yro s PHE 126 Ca -0.13 1.04 -0.07 0.00 -0.96 0.00 0.00 56.93 56.81 2yro s PHE 126 Cb 0.15 -2.40 -0.03 0.00 -0.34 0.00 0.00 43.02 40.41 2yro s PHE 126 CO 0.78 0.17 -0.12 0.87 -1.46 0.00 0.00 175.22 175.47 2yro h LYS 127 N 2.37 0.00 -6.17 10.12 1.79 -1.96 -3.44 116.57 119.28 2yro h LYS 127 Ca -0.47 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.47 2yro h LYS 127 Cb 1.17 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.77 2yro h LYS 127 CO 0.67 0.02 1.22 -2.00 -1.08 0.00 0.00 179.45 178.29 2yro s GLU 128 N -2.05 2.93 0.15 3.15 2.56 -1.26 -4.83 118.70 119.35 2yro s GLU 128 Ca -0.11 0.37 0.01 0.00 0.00 0.00 0.00 54.97 55.24 2yro s GLU 128 Cb 0.01 -4.28 -0.05 0.00 2.00 0.00 0.00 34.13 31.82 2yro s GLU 128 CO 0.17 -2.40 1.34 -0.07 -0.56 0.00 0.00 175.26 173.74 2yro h LEU 129 N 14.78 0.32 -2.48 2.70 3.38 -1.90 -3.19 115.31 128.91 2yro h LEU 129 Ca -0.27 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.33 2yro h LEU 129 Cb 1.12 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 2yro h LEU 129 CO 1.22 1.08 0.13 -1.54 0.09 0.00 0.00 178.44 179.43 2yro n SER 130 N -3.66 3.46 -0.03 -0.43 3.41 -1.25 -3.54 113.62 111.58 2yro n SER 130 Ca -0.04 -2.36 -0.04 0.00 -0.26 0.00 0.00 58.87 56.17 2yro n SER 130 Cb 0.83 -0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 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 0.28 3.64 -4.53 4.04 7.64 -1.21 -4.86 113.62 118.63 2yro n SER 131 Ca 0.12 -0.02 -0.42 0.00 1.01 0.00 0.00 58.87 59.55 2yro n SER 131 Cb 0.71 0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.91 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 -2.56 0.10 -2.05 0.44 5.41 -1.23 -4.29 119.36 115.18 2yro n ILE 132 Ca -0.09 -0.49 0.05 0.00 1.00 0.00 0.00 62.75 63.22 2yro n ILE 132 Cb 0.61 -2.17 0.10 0.00 -0.71 0.00 0.00 39.64 37.47 2yro n ILE 132 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2yro n ASP 133 N 12.71 1.28 -3.76 4.38 8.00 -1.26 -1.52 116.55 136.38 2yro n ASP 133 Ca 0.40 -2.79 -0.13 0.00 0.71 0.00 0.00 54.79 52.98 2yro n ASP 133 Cb 0.38 -0.39 -0.10 0.00 -0.02 0.00 0.00 41.12 40.99 2yro n ASP 133 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2yro s THR 134 N -1.39 0.02 -0.24 -3.53 2.01 -1.13 -2.88 115.64 108.50 2yro s THR 134 Ca 0.33 -0.15 -0.00 0.00 0.31 0.00 0.00 61.69 62.18 2yro s THR 134 Cb 0.35 -0.53 0.07 0.00 0.01 0.00 0.00 72.50 72.40 2yro s THR 134 CO -0.11 -0.08 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.51 2yro s LEU 135 N -0.31 2.27 -0.26 4.42 2.96 -0.32 -3.54 118.68 123.89 2yro s LEU 135 Ca -0.04 -1.18 -0.04 0.00 -0.22 0.00 0.00 54.13 52.65 2yro s LEU 135 Cb -0.03 -1.01 0.01 0.00 0.50 0.00 0.00 46.19 45.66 2yro s LEU 135 CO 0.02 -0.28 -0.00 -1.61 -1.32 0.00 0.00 176.35 173.15 2yro s GLU 136 N 1.52 3.06 -0.04 1.98 2.02 -0.48 -2.36 118.70 124.40 2yro s GLU 136 Ca -0.02 -0.85 0.07 0.00 0.02 0.00 0.00 54.97 54.19 2yro s GLU 136 Cb -0.18 -3.14 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 2yro s GLU 136 CO -0.09 -0.37 -0.25 0.42 0.02 0.00 0.00 175.26 174.99 2yro s ILE 137 N 1.43 2.02 0.00 -1.63 1.01 0.68 -0.17 121.20 124.54 2yro s ILE 137 Ca 0.02 -1.07 -0.15 0.00 0.00 0.00 0.00 60.65 59.46 2yro s ILE 137 Cb -0.16 -1.69 0.02 0.00 0.01 0.00 0.00 42.46 40.64 2yro s ILE 137 CO -0.02 0.57 0.31 0.21 0.00 0.00 0.00 174.94 176.01 2yro s ASN 138 N -0.36 -0.17 0.00 3.58 3.04 -0.70 -0.34 114.94 119.99 2yro s ASN 138 Ca 0.03 0.01 0.00 0.00 0.04 0.00 0.00 52.86 52.93 2yro s ASN 138 Cb -0.12 0.32 0.00 0.00 -1.54 0.00 0.00 41.25 39.91 2yro s ASN 138 CO 0.02 -0.49 0.00 0.61 -3.04 0.00 0.00 177.10 174.19 2yro n GLY 139 N 1.08 -0.37 2.14 1.21 0.00 -1.26 -0.61 105.19 107.38 2yro n GLY 139 Ca -0.21 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.56 2yro n GLY 139 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yro n ASP 140 N 0.00 5.46 -4.61 1.61 9.92 -1.19 -4.97 116.55 122.78 2yro n ASP 140 Ca 0.00 -3.76 -0.28 0.00 -0.53 0.00 0.00 54.79 50.22 2yro n ASP 140 Cb 0.00 -0.48 -0.10 0.00 -0.64 0.00 0.00 41.12 39.90 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 -4.74 1.67 -0.33 0.53 -5.25 -1.26 -3.92 121.20 107.90 2yro s ILE 141 Ca 0.53 -2.00 -0.04 0.00 -0.99 0.00 0.00 60.65 58.15 2yro s ILE 141 Cb 0.43 -2.78 0.05 0.00 2.95 0.00 0.00 42.46 43.11 2yro s ILE 141 CO -0.00 0.00 0.08 -2.28 -1.79 0.00 0.00 174.94 170.95 2yro s HIS 142 N -2.84 3.30 0.35 1.37 5.65 0.02 -4.83 115.29 118.31 2yro s HIS 142 Ca 0.29 -1.72 -0.26 0.00 0.25 0.00 0.00 55.06 53.63 2yro s HIS 142 Cb 0.08 -2.34 -0.09 0.00 -1.18 0.00 0.00 32.58 29.04 2yro s HIS 142 CO 0.15 -0.79 1.03 -1.17 -0.65 0.00 0.00 174.74 173.31 2yro s LEU 143 N 1.32 4.28 -0.06 8.88 2.96 -1.26 -1.55 118.68 133.25 2yro s LEU 143 Ca -0.02 2.04 -0.09 0.00 -0.22 0.00 0.00 54.13 55.84 2yro s LEU 143 Cb -0.20 -4.02 -0.03 0.00 0.50 0.00 0.00 46.19 42.44 2yro s LEU 143 CO 0.00 -0.31 -0.18 0.18 -1.32 0.00 0.00 176.35 174.72 2yro n LEU 144 N 0.37 1.47 -3.52 -0.68 4.77 -0.99 -2.79 117.00 115.63 2yro n LEU 144 Ca 0.03 0.23 -0.11 0.00 -0.03 0.00 0.00 56.01 56.13 2yro n LEU 144 Cb 0.49 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 2yro n LEU 144 CO 0.47 -0.41 0.65 -0.70 -1.33 0.00 0.00 177.39 176.07 2yro s GLU 145 N -2.44 0.83 -0.07 3.23 2.12 -1.12 -3.11 118.70 118.14 2yro s GLU 145 Ca -0.15 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.12 2yro s GLU 145 Cb 0.03 0.39 -0.03 0.00 0.26 0.00 0.00 34.13 34.78 2yro s GLU 145 CO 0.22 -0.32 -0.11 0.08 -0.54 0.00 0.00 175.26 174.60 2yro s VAL 146 N -2.19 3.30 0.02 3.70 1.01 -1.26 -2.71 120.40 122.27 2yro s VAL 146 Ca -0.00 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.41 2yro s VAL 146 Cb -0.01 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2yro s VAL 146 CO -0.03 0.58 -0.15 -0.13 0.00 0.00 0.00 175.10 175.37 2yro s ARG 147 N -0.53 1.09 -0.22 2.72 1.81 -1.01 -5.03 118.95 117.77 2yro s ARG 147 Ca 0.07 -0.69 -0.03 0.00 -1.72 0.00 0.00 55.73 53.36 2yro s ARG 147 Cb -0.12 -1.09 0.10 0.00 -0.45 0.00 0.00 34.95 33.39 2yro s ARG 147 CO 0.02 0.28 0.25 -1.54 -0.68 0.00 0.00 175.30 173.63 2yro s SER 148 N -0.83 1.33 0.03 0.23 1.04 -1.26 0.23 113.70 114.47 2yro s SER 148 Ca 0.04 -0.26 0.05 0.00 0.48 0.00 0.00 55.95 56.26 2yro s SER 148 Cb -0.07 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 2yro s SER 148 CO 0.01 -0.33 -0.15 -1.66 0.98 0.00 0.00 173.24 172.08 2yro s TRP 149 N 2.35 1.31 -0.16 5.02 -2.14 0.12 -4.92 118.94 120.52 2yro s TRP 149 Ca 0.08 -0.33 -0.26 0.00 2.66 0.00 0.00 56.10 58.24 2yro s TRP 149 Cb -0.16 -0.79 -0.23 0.00 -3.10 0.00 0.00 33.47 29.19 2yro s TRP 149 CO -0.15 0.03 0.57 0.66 -2.66 0.00 0.00 176.95 175.40 2yro h SER 150 N 5.08 0.00 0.00 -2.66 4.64 -1.83 -0.67 113.55 118.11 2yro h SER 150 Ca -0.38 -0.82 0.00 0.00 -0.47 0.00 0.00 61.79 60.12 2yro h SER 150 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2yro h SER 150 CO 0.45 1.16 0.00 0.61 -0.87 0.00 0.00 176.83 178.18 2yro n GLY 151 N 1.55 2.25 3.61 -0.77 0.00 -1.26 -4.63 105.19 105.93 2yro n GLY 151 Ca -0.17 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 3.49 -0.37 1.61 0.04 -1.26 -4.98 135.00 133.53 2yro s PRO 152 Ca 0.00 1.39 -0.17 0.00 0.04 0.00 0.00 61.00 62.25 2yro s PRO 152 Cb 0.00 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.41 2yro s PRO 152 CO 0.00 -1.67 0.47 -1.12 0.04 0.00 0.00 177.00 174.72 2yro s SER 153 N 5.24 6.26 -0.18 6.66 0.01 -1.26 -4.94 113.70 125.49 2yro s SER 153 Ca 0.74 -0.21 -0.15 0.00 1.31 0.00 0.00 55.95 57.65 2yro s SER 153 Cb -0.21 -2.25 -0.07 0.00 0.21 0.00 0.00 66.02 63.70 2yro s SER 153 CO 0.33 -0.48 -0.21 -0.24 0.41 0.00 0.00 173.24 173.04 2yro n SER 154 N 5.67 1.88 0.00 2.44 2.88 -1.26 -5.20 113.62 120.03 2yro n SER 154 Ca -0.06 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 2yro n SER 154 Cb 0.49 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 2yro n SER 154 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42