#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 5.35 0.36 1.61 1.04 -1.26 -5.12 113.70 115.69 2yro s SER 2 Ca 0.00 0.16 -0.13 0.00 0.48 0.00 0.00 55.95 56.46 2yro s SER 2 Cb 0.00 -1.10 0.04 0.00 0.10 0.00 0.00 66.02 65.06 2yro s SER 2 CO 0.00 -1.11 0.70 -0.44 0.98 0.00 0.00 173.24 173.37 2yro s SER 3 N -4.39 0.19 0.00 7.02 0.01 -1.26 -5.18 113.70 110.09 2yro s SER 3 Ca 0.56 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.65 2yro s SER 3 Cb -0.10 0.79 0.00 0.00 0.21 0.00 0.00 66.02 66.91 2yro s SER 3 CO 0.40 -1.54 0.00 0.61 0.41 0.00 0.00 173.24 173.11 2yro n GLY 4 N -0.53 2.58 3.78 3.44 0.00 -1.26 -5.18 105.19 108.02 2yro n GLY 4 Ca -0.06 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 2yro n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yro s SER 5 N 0.00 4.61 -0.42 1.61 0.01 -1.26 -5.10 113.70 113.15 2yro s SER 5 Ca 0.00 -0.98 -0.16 0.00 1.31 0.00 0.00 55.95 56.12 2yro s SER 5 Cb 0.00 -0.51 0.02 0.00 0.21 0.00 0.00 66.02 65.74 2yro s SER 5 CO 0.00 -0.57 0.36 -0.44 0.41 0.00 0.00 173.24 173.00 2yro s SER 6 N -3.97 6.15 -0.25 2.44 0.01 -1.26 -5.04 113.70 111.77 2yro s SER 6 Ca 0.43 -0.84 -0.29 0.00 1.31 0.00 0.00 55.95 56.56 2yro s SER 6 Cb 0.02 -2.19 -0.01 0.00 0.21 0.00 0.00 66.02 64.05 2yro s SER 6 CO 0.24 -0.52 1.42 -0.83 0.41 0.00 0.00 173.24 173.97 2yro s GLY 7 N 1.79 1.35 0.11 3.44 0.00 -1.26 -4.98 107.32 107.77 2yro s GLY 7 Ca 0.08 0.28 -0.31 0.00 0.00 0.00 0.00 44.72 44.77 2yro s GLY 7 CO 0.11 2.75 1.36 2.56 0.00 0.00 0.00 173.10 179.88 2yro s PRO 8 N 4.30 4.34 0.39 2.90 0.04 -1.26 -5.03 135.00 140.68 2yro s PRO 8 Ca 0.62 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.72 2yro s PRO 8 Cb -0.20 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 2yro s PRO 8 CO 0.25 -0.41 0.58 0.15 0.04 0.00 0.00 177.00 177.61 2yro s LYS 9 N 1.06 3.16 -0.00 4.56 1.02 -1.26 -5.12 119.74 123.15 2yro s LYS 9 Ca 0.64 -0.63 -0.01 0.00 0.02 0.00 0.00 55.97 55.99 2yro s LYS 9 Cb -0.36 -2.67 -0.00 0.00 -0.52 0.00 0.00 37.83 34.28 2yro s LYS 9 CO 0.30 -0.08 0.01 -1.12 -0.92 0.00 0.00 175.35 173.55 2yro s SER 10 N -4.17 0.02 -0.04 2.83 0.01 -1.26 -5.05 113.70 106.04 2yro s SER 10 Ca 0.45 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.68 2yro s SER 10 Cb -0.10 0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 2yro s SER 10 CO 0.35 -0.05 -0.03 0.61 0.41 0.00 0.00 173.24 174.53 2yro n GLY 11 N 2.84 -0.06 3.22 3.44 0.00 -1.26 -5.06 105.19 108.32 2yro n GLY 11 Ca -0.14 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.57 0.43 -1.08 2.61 -2.24 -1.26 -4.95 114.28 105.22 2yro n THR 12 Ca -0.06 -0.46 -0.30 0.00 -2.27 0.00 0.00 64.05 60.95 2yro n THR 12 Cb 0.57 -0.20 0.23 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.86 -1.10 0.25 -0.78 0.04 -1.26 -4.98 135.00 125.31 2yro s PRO 13 Ca 0.53 -0.02 0.06 0.00 0.04 0.00 0.00 61.00 61.61 2yro s PRO 13 Cb -0.35 -1.61 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 2yro s PRO 13 CO 0.70 -3.64 0.31 -0.65 0.04 0.00 0.00 177.00 173.75 2yro s GLN 14 N -5.36 3.25 0.49 4.56 -0.21 -1.25 -4.43 119.66 116.71 2yro s GLN 14 Ca 0.70 -0.87 0.03 0.00 0.02 0.00 0.00 55.36 55.24 2yro s GLN 14 Cb -0.10 -2.77 -0.02 0.00 1.00 0.00 0.00 33.01 31.11 2yro s GLN 14 CO 0.56 0.41 0.04 -0.51 -2.12 0.00 0.00 175.29 173.67 2yro s LEU 15 N -3.94 2.45 0.13 2.90 1.43 -0.40 -5.01 118.68 116.25 2yro s LEU 15 Ca 0.34 -1.55 0.06 0.00 -1.03 0.00 0.00 54.13 51.94 2yro s LEU 15 Cb -0.09 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.27 2yro s LEU 15 CO 0.28 -0.80 -0.13 -0.94 0.23 0.00 0.00 176.35 174.98 2yro s SER 16 N -3.89 2.00 0.14 2.29 1.04 -1.26 -4.48 113.70 109.54 2yro s SER 16 Ca 0.14 -0.86 0.07 0.00 0.48 0.00 0.00 55.95 55.78 2yro s SER 16 Cb 0.03 -0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 2yro s SER 16 CO 0.08 -0.18 -0.03 -0.76 0.98 0.00 0.00 173.24 173.33 2yro s LEU 17 N -2.63 3.27 0.23 2.42 1.43 -1.26 -3.18 118.68 118.95 2yro s LEU 17 Ca 0.11 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 2yro s LEU 17 Cb -0.03 -1.98 -0.09 0.00 0.03 0.00 0.00 46.19 44.12 2yro s LEU 17 CO 0.03 0.13 1.28 -2.16 0.23 0.00 0.00 176.35 175.86 2yro s PRO 18 N -2.61 4.42 -0.67 1.29 0.04 -1.26 -5.05 135.00 131.15 2yro s PRO 18 Ca 0.25 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 63.14 2yro s PRO 18 Cb -0.10 -3.17 0.10 0.00 0.04 0.00 0.00 34.50 31.36 2yro s PRO 18 CO 0.17 -0.18 0.87 0.12 0.04 0.00 0.00 177.00 178.02 2yro s PHE 19 N -0.26 2.90 -0.42 0.56 5.36 0.44 -4.92 117.98 121.65 2yro s PHE 19 Ca 0.54 -0.88 -0.01 0.00 -0.96 0.00 0.00 56.93 55.62 2yro s PHE 19 Cb -0.36 -4.16 0.11 0.00 -0.34 0.00 0.00 43.02 38.27 2yro s PHE 19 CO 0.41 -1.46 0.19 0.00 -1.46 0.00 0.00 175.22 172.90 2yro s ALA 20 N 3.18 3.14 -0.02 11.12 0.00 -1.26 -1.00 121.76 136.93 2yro s ALA 20 Ca 0.19 -2.62 -0.03 0.00 0.00 0.00 0.00 51.96 49.50 2yro s ALA 20 Cb -0.18 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.61 2yro s ALA 20 CO 0.05 -1.81 0.07 0.00 0.00 0.00 0.00 175.76 174.07 2yro s ALA 21 N 0.94 -0.16 0.04 0.00 0.00 -0.98 -5.01 121.76 116.58 2yro s ALA 21 Ca 0.10 0.05 -0.08 0.00 0.00 0.00 0.00 51.96 52.03 2yro s ALA 21 Cb -0.22 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 2yro s ALA 21 CO -0.05 -0.07 0.33 -0.98 0.00 0.00 0.00 175.76 174.99 2yro s ARG 22 N -0.34 3.67 0.21 0.00 1.70 -1.26 -1.80 118.95 121.12 2yro s ARG 22 Ca -0.04 0.05 -0.29 0.00 -0.47 0.00 0.00 55.73 54.98 2yro s ARG 22 Cb -0.03 -3.05 -0.08 0.00 -0.57 0.00 0.00 34.95 31.22 2yro s ARG 22 CO 0.00 0.62 0.91 -0.51 -1.08 0.00 0.00 175.30 175.23 2yro s LEU 23 N -1.79 4.62 0.35 -1.89 1.43 -1.21 -4.93 118.68 115.26 2yro s LEU 23 Ca 0.29 1.86 0.14 0.00 -1.03 0.00 0.00 54.13 55.40 2yro s LEU 23 Cb -0.14 -3.54 1.12 0.00 0.03 0.00 0.00 46.19 43.67 2yro s LEU 23 CO 0.17 0.14 1.58 0.78 0.23 0.00 0.00 176.35 179.25 2yro h ASN 24 N 4.36 0.05 -3.96 2.29 2.35 -1.98 -3.39 115.58 115.30 2yro h ASN 24 Ca -0.45 0.26 -0.52 0.00 -0.55 0.00 0.00 56.30 55.05 2yro h ASN 24 Cb 1.20 0.34 -0.20 0.00 0.05 0.00 0.00 38.32 39.71 2yro h ASN 24 CO 0.68 -0.39 -0.80 0.42 -1.65 0.00 0.00 177.43 175.69 2yro s THR 25 N -5.70 1.66 -0.05 2.81 -4.23 -1.26 -5.11 115.64 103.76 2yro s THR 25 Ca -0.10 -1.68 -0.30 0.00 -1.18 0.00 0.00 61.69 58.43 2yro s THR 25 Cb 0.32 -1.62 -0.05 0.00 1.34 0.00 0.00 72.50 72.49 2yro s THR 25 CO 0.78 -0.21 1.49 -2.16 -0.54 0.00 0.00 174.62 173.98 2yro s PRO 26 N -2.31 4.23 1.10 3.99 0.04 -1.26 -4.86 135.00 135.93 2yro s PRO 26 Ca 0.09 2.02 -0.18 0.00 0.04 0.00 0.00 61.00 62.97 2yro s PRO 26 Cb -0.08 -3.76 0.28 0.00 0.04 0.00 0.00 34.50 30.98 2yro s PRO 26 CO 0.05 -0.71 0.88 0.00 0.04 0.00 0.00 177.00 177.26 2yro n MET 27 N 6.27 -3.27 0.00 4.56 0.00 -0.08 -4.86 117.12 119.75 2yro n MET 27 Ca 0.15 -1.42 0.00 0.00 0.00 0.00 0.00 57.70 56.42 2yro n MET 27 Cb 0.43 -1.45 0.00 0.00 0.00 0.00 0.00 33.22 32.20 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 -4.02 -0.57 3.76 3.17 0.00 -1.22 -3.76 105.19 102.54 2yro n GLY 28 Ca 0.13 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.66 4.46 0.00 1.61 0.04 -1.26 -2.84 135.00 135.35 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 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.42 2yro s PRO 29 CO 0.00 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.40 2yro n GLY 30 N 1.09 3.01 3.71 0.56 0.00 0.62 -4.98 105.19 109.20 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 -1.60 0.00 0.00 0.00 173.32 171.72 2yro s ARG 31 N -0.03 4.49 -0.28 1.61 6.06 -1.13 -4.52 118.95 125.15 2yro s ARG 31 Ca 0.00 1.18 -0.06 0.00 -2.50 0.00 0.00 55.73 54.35 2yro s ARG 31 Cb 0.00 -3.46 0.01 0.00 0.06 0.00 0.00 34.95 31.56 2yro s ARG 31 CO 0.00 -0.03 0.05 0.99 -2.50 0.00 0.00 175.30 173.81 2yro s THR 32 N 1.03 3.80 -0.33 4.11 2.01 -1.22 -3.73 115.64 121.30 2yro s THR 32 Ca 0.45 -0.72 -0.05 0.00 0.31 0.00 0.00 61.69 61.69 2yro s THR 32 Cb -0.19 -2.94 0.05 0.00 0.01 0.00 0.00 72.50 69.42 2yro s THR 32 CO 0.23 0.12 0.08 -0.69 -0.69 0.00 0.00 174.62 173.67 2yro s VAL 33 N 1.48 3.51 0.13 3.82 1.01 -0.65 -0.99 120.40 128.71 2yro s VAL 33 Ca 0.02 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 60.75 2yro s VAL 33 Cb -0.17 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2yro s VAL 33 CO 0.01 -0.20 0.27 0.68 0.00 0.00 0.00 175.10 175.87 2yro s VAL 34 N 1.34 5.33 -0.27 2.92 -7.23 0.10 -1.55 120.40 121.04 2yro s VAL 34 Ca -0.02 -0.62 -0.00 0.00 -1.81 0.00 0.00 61.98 59.53 2yro s VAL 34 Cb -0.20 -3.72 0.08 0.00 0.56 0.00 0.00 36.38 33.10 2yro s VAL 34 CO 0.01 -0.05 0.04 -0.69 -0.31 0.00 0.00 175.10 174.10 2yro s VAL 35 N -1.70 1.09 -0.17 1.32 1.01 0.33 -2.05 120.40 120.22 2yro s VAL 35 Ca 0.35 -1.26 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 2yro s VAL 35 Cb -0.11 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 2yro s VAL 35 CO 0.28 -0.43 0.39 -0.54 0.00 0.00 0.00 175.10 174.80 2yro s LYS 36 N 1.55 4.23 0.00 2.72 1.02 -1.01 -2.48 119.74 125.77 2yro s LYS 36 Ca 0.04 0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.26 2yro s LYS 36 Cb -0.18 -3.49 0.00 0.00 -0.52 0.00 0.00 37.83 33.65 2yro s LYS 36 CO -0.15 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 2yro n GLY 37 N 3.64 1.87 3.23 -3.33 0.00 -1.21 -2.42 105.19 106.98 2yro n GLY 37 Ca -0.09 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.75 0.86 -0.00 1.61 2.02 -0.32 -3.18 118.70 118.94 2yro s GLU 38 Ca 0.00 -0.83 -0.00 0.00 0.02 0.00 0.00 54.97 54.16 2yro s GLU 38 Cb 0.00 0.36 -0.04 0.00 0.10 0.00 0.00 34.13 34.55 2yro s GLU 38 CO 0.00 -0.29 0.08 0.08 0.02 0.00 0.00 175.26 175.15 2yro s VAL 39 N -3.56 4.71 0.32 2.63 1.01 -0.44 -0.78 120.40 124.28 2yro s VAL 39 Ca 0.02 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 61.34 2yro s VAL 39 Cb 0.03 -3.16 -0.10 0.00 0.00 0.00 0.00 36.38 33.16 2yro s VAL 39 CO -0.10 0.34 0.89 0.20 0.00 0.00 0.00 175.10 176.43 2yro s ASN 40 N -1.76 7.20 0.33 3.32 0.01 -1.25 -1.52 114.94 121.27 2yro s ASN 40 Ca 0.23 1.70 0.09 0.00 -0.71 0.00 0.00 52.86 54.17 2yro s ASN 40 Cb -0.12 -2.53 0.82 0.00 0.41 0.00 0.00 41.25 39.83 2yro s ASN 40 CO 0.14 -0.09 1.80 0.00 -1.51 0.00 0.00 177.10 177.44 2yro h ALA 41 N 3.02 1.81 -0.77 0.60 0.00 -1.93 0.25 119.26 122.24 2yro h ALA 41 Ca -0.47 0.06 -0.50 0.00 0.00 0.00 0.00 54.91 54.00 2yro h ALA 41 Cb 1.19 -0.08 -0.28 0.00 0.00 0.00 0.00 17.79 18.62 2yro h ALA 41 CO 0.64 -0.15 0.16 0.09 0.00 0.00 0.00 179.25 179.99 2yro n ASN 42 N -4.69 5.09 -4.68 0.00 3.02 -1.26 -4.70 115.26 108.05 2yro n ASN 42 Ca 0.22 -3.76 -0.43 0.00 -0.03 0.00 0.00 54.58 50.59 2yro n ASN 42 Cb 0.60 -0.71 -0.02 0.00 -0.61 0.00 0.00 39.78 39.03 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 -3.55 3.53 -0.04 5.41 0.00 0.07 -4.96 121.76 122.22 2yro s ALA 43 Ca 0.55 0.30 -0.18 0.00 0.00 0.00 0.00 51.96 52.63 2yro s ALA 43 Cb 0.45 -3.49 -0.11 0.00 0.00 0.00 0.00 23.12 19.98 2yro s ALA 43 CO 0.02 -0.80 0.75 -0.22 0.00 0.00 0.00 175.76 175.51 2yro h LYS 44 N 7.26 -0.45 -1.33 0.00 1.63 -1.89 -3.48 116.57 118.32 2yro h LYS 44 Ca -0.26 0.03 0.18 0.00 -0.85 0.00 0.00 60.65 59.75 2yro h LYS 44 Cb 1.11 0.10 -0.24 0.00 -0.60 0.00 0.00 32.23 32.60 2yro h LYS 44 CO 0.91 -0.19 0.77 -1.12 -3.45 0.00 0.00 179.45 176.36 2yro s SER 45 N -5.06 -0.19 0.42 4.20 0.01 -1.26 -3.95 113.70 107.87 2yro s SER 45 Ca -0.10 0.18 0.04 0.00 1.31 0.00 0.00 55.95 57.38 2yro s SER 45 Cb 0.01 0.16 -0.05 0.00 0.21 0.00 0.00 66.02 66.35 2yro s SER 45 CO 0.33 -0.19 0.04 0.72 0.41 0.00 0.00 173.24 174.55 2yro s PHE 46 N -1.27 2.05 -0.01 2.43 -0.71 -1.24 -2.51 117.98 116.73 2yro s PHE 46 Ca 0.05 -0.94 -0.29 0.00 -1.04 0.00 0.00 56.93 54.70 2yro s PHE 46 Cb -0.01 -1.49 0.07 0.00 -1.21 0.00 0.00 43.02 40.39 2yro s PHE 46 CO -0.04 0.13 0.66 0.54 -1.34 0.00 0.00 175.22 175.18 2yro s ASN 47 N -3.68 -0.64 -0.32 1.98 4.22 0.09 -2.86 114.94 113.74 2yro s ASN 47 Ca 0.25 0.58 0.01 0.00 -2.14 0.00 0.00 52.86 51.56 2yro s ASN 47 Cb 0.06 0.55 0.10 0.00 1.28 0.00 0.00 41.25 43.24 2yro s ASN 47 CO 0.12 -0.68 0.07 -0.69 -2.04 0.00 0.00 177.10 173.89 2yro s VAL 48 N -1.67 1.40 -0.44 3.54 1.01 -0.96 -1.91 120.40 121.38 2yro s VAL 48 Ca -0.09 -1.72 -0.22 0.00 0.00 0.00 0.00 61.98 59.96 2yro s VAL 48 Cb -0.00 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.37 2yro s VAL 48 CO 0.06 -0.61 0.71 -1.81 0.00 0.00 0.00 175.10 173.45 2yro s ASP 49 N 1.35 6.38 -0.40 3.32 1.01 0.11 -3.56 116.67 124.88 2yro s ASP 49 Ca 0.09 -0.18 -0.11 0.00 0.71 0.00 0.00 52.55 53.06 2yro s ASP 49 Cb -0.18 -2.35 0.05 0.00 1.01 0.00 0.00 42.92 41.45 2yro s ASP 49 CO -0.18 -0.83 0.25 -0.22 0.21 0.00 0.00 175.17 174.40 2yro s LEU 50 N 3.04 4.99 0.44 1.23 2.96 -1.10 -1.83 118.68 128.42 2yro s LEU 50 Ca 0.26 -1.22 0.03 0.00 -0.22 0.00 0.00 54.13 52.99 2yro s LEU 50 Cb -0.13 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 2yro s LEU 50 CO 0.20 -0.47 0.04 -1.48 -1.32 0.00 0.00 176.35 173.32 2yro s LEU 51 N 1.52 2.31 -0.06 -0.68 0.05 -1.24 -0.84 118.68 119.74 2yro s LEU 51 Ca 0.02 -1.58 0.00 0.00 0.05 0.00 0.00 54.13 52.63 2yro s LEU 51 Cb -0.21 -0.56 -0.03 0.00 -2.05 0.00 0.00 46.19 43.34 2yro s LEU 51 CO 0.05 -0.77 -0.04 0.00 -0.55 0.00 0.00 176.35 175.04 2yro s ALA 52 N -2.98 3.12 -1.09 1.48 0.00 -1.04 -3.07 121.76 118.17 2yro s ALA 52 Ca 0.19 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2yro s ALA 52 Cb 0.04 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.85 2yro s ALA 52 CO 0.10 0.59 0.51 0.41 0.00 0.00 0.00 175.76 177.37 2yro n GLY 53 N 2.03 1.18 0.15 0.00 0.00 -1.26 -1.93 105.19 105.36 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 0.28 0.00 0.00 0.00 173.32 173.60 2yro n LYS 54 N -0.01 0.51 -0.56 1.61 5.02 -1.26 -4.75 118.16 118.72 2yro n LYS 54 Ca 0.00 0.20 0.07 0.00 -2.02 0.00 0.00 58.31 56.56 2yro n LYS 54 Cb 0.21 -1.39 0.18 0.00 -0.02 0.00 0.00 35.03 34.01 2yro n LYS 54 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2yro n SER 55 N -4.38 1.75 -3.93 4.39 7.64 -1.25 -4.98 113.62 112.87 2yro n SER 55 Ca -0.18 -3.54 -0.26 0.00 1.01 0.00 0.00 58.87 55.89 2yro n SER 55 Cb 0.54 -0.48 -0.08 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.03 -0.92 -4.22 1.43 4.01 -0.81 -4.89 118.16 111.73 2yro n LYS 56 Ca 0.17 0.08 -0.34 0.00 -0.51 0.00 0.00 58.31 57.71 2yro n LYS 56 Cb 0.72 -2.98 -0.14 0.00 -0.51 0.00 0.00 35.03 32.11 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 -3.86 4.04 -0.14 4.39 1.01 -1.25 -4.89 116.67 115.98 2yro s ASP 57 Ca 0.12 -0.40 -0.29 0.00 0.71 0.00 0.00 52.55 52.68 2yro s ASP 57 Cb -0.07 -1.66 -0.02 0.00 1.01 0.00 0.00 42.92 42.18 2yro s ASP 57 CO 0.79 0.05 1.35 -0.63 0.21 0.00 0.00 175.17 176.94 2yro s ILE 58 N 1.07 4.11 0.01 0.77 1.01 -0.83 -2.49 121.20 124.86 2yro s ILE 58 Ca 0.00 1.35 -0.18 0.00 0.00 0.00 0.00 60.65 61.82 2yro s ILE 58 Cb -0.15 -3.87 -0.30 0.00 0.01 0.00 0.00 42.46 38.16 2yro s ILE 58 CO -0.02 -0.12 1.03 0.00 0.00 0.00 0.00 174.94 175.83 2yro h ALA 59 N 8.50 -0.04 -3.46 9.38 0.00 -1.25 -3.24 119.26 129.15 2yro h ALA 59 Ca -0.30 -0.72 -0.25 0.00 0.00 0.00 0.00 54.91 53.64 2yro h ALA 59 Cb 1.12 0.10 -0.31 0.00 0.00 0.00 0.00 17.79 18.70 2yro h ALA 59 CO 0.97 0.53 -0.66 -1.17 0.00 0.00 0.00 179.25 178.91 2yro s LEU 60 N -7.93 1.20 -0.38 0.00 2.96 -1.20 -4.24 118.68 109.10 2yro s LEU 60 Ca -0.11 0.15 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 2yro s LEU 60 Cb 0.03 0.15 0.11 0.00 0.50 0.00 0.00 46.19 46.99 2yro s LEU 60 CO 0.88 -0.10 0.12 -2.28 -1.32 0.00 0.00 176.35 173.65 2yro s HIS 61 N 0.75 3.06 -0.42 5.38 5.65 0.10 -2.70 115.29 127.11 2yro s HIS 61 Ca -0.06 -2.72 -0.06 0.00 0.25 0.00 0.00 55.06 52.47 2yro s HIS 61 Cb -0.08 -2.56 0.10 0.00 -1.18 0.00 0.00 32.58 28.86 2yro s HIS 61 CO -0.03 -0.88 0.25 -0.51 -0.65 0.00 0.00 174.74 172.92 2yro s LEU 62 N 0.77 5.29 -0.43 8.88 1.43 -1.23 -2.32 118.68 131.07 2yro s LEU 62 Ca 0.13 -1.84 -0.01 0.00 -1.03 0.00 0.00 54.13 51.37 2yro s LEU 62 Cb -0.20 -1.91 0.12 0.00 0.03 0.00 0.00 46.19 44.22 2yro s LEU 62 CO -0.09 -0.57 0.21 0.21 0.23 0.00 0.00 176.35 176.34 2yro s ASN 63 N 2.12 5.14 0.62 2.29 3.04 -0.94 -2.27 114.94 124.94 2yro s ASN 63 Ca 0.06 -2.20 -0.16 0.00 0.04 0.00 0.00 52.86 50.59 2yro s ASN 63 Cb -0.24 -1.79 -0.02 0.00 -1.54 0.00 0.00 41.25 37.66 2yro s ASN 63 CO -0.02 -0.48 1.12 -2.16 -3.04 0.00 0.00 177.10 172.52 2yro s PRO 64 N 0.89 2.98 -0.03 0.43 0.04 -1.13 -3.02 135.00 135.15 2yro s PRO 64 Ca 0.10 1.46 0.01 0.00 0.04 0.00 0.00 61.00 62.61 2yro s PRO 64 Cb -0.22 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.37 2yro s PRO 64 CO -0.05 -1.12 -0.05 1.03 0.04 0.00 0.00 177.00 176.86 2yro s ARG 65 N -3.84 0.73 -0.20 4.56 0.52 -1.14 -3.73 118.95 115.85 2yro s ARG 65 Ca 0.69 -0.12 -0.16 0.00 -0.52 0.00 0.00 55.73 55.62 2yro s ARG 65 Cb -0.21 -0.74 -0.11 0.00 0.52 0.00 0.00 34.95 34.41 2yro s ARG 65 CO 0.37 -0.03 -0.10 1.28 0.02 0.00 0.00 175.30 176.83 2yro n LEU 66 N 3.80 1.88 -0.07 2.53 4.77 -1.25 -2.39 117.00 126.26 2yro n LEU 66 Ca -0.23 0.45 -0.02 0.00 -0.03 0.00 0.00 56.01 56.18 2yro n LEU 66 Cb 0.52 -0.87 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 2yro n LEU 66 CO 0.24 0.05 0.28 -3.20 -1.33 0.00 0.00 177.39 173.43 2yro n ASN 67 N -4.45 -0.18 0.11 -1.43 5.15 -1.26 0.20 115.26 113.40 2yro n ASN 67 Ca -0.27 0.70 0.12 0.00 -0.60 0.00 0.00 54.58 54.52 2yro n ASN 67 Cb 0.59 -0.24 0.10 0.00 -0.53 0.00 0.00 39.78 39.70 2yro n ASN 67 CO 0.00 0.00 0.00 0.16 1.40 0.00 0.00 177.26 178.82 2yro h ILE 68 N 0.00 0.00 -3.94 -1.44 -2.65 -1.96 -3.48 117.51 104.04 2yro h ILE 68 Ca 0.03 -0.81 -0.21 0.00 1.03 0.00 0.00 64.86 64.90 2yro h ILE 68 Cb 0.07 1.43 0.09 0.00 -2.05 0.00 0.00 36.82 36.36 2yro h ILE 68 CO -0.16 0.00 -0.42 0.29 0.03 0.00 0.00 178.15 177.90 2yro n LYS 69 N -2.54 -4.12 -4.83 0.16 5.02 0.13 -5.04 118.16 106.94 2yro n LYS 69 Ca 0.02 0.48 -0.29 0.00 -2.02 0.00 0.00 58.31 56.49 2yro n LYS 69 Cb 0.51 -4.43 -0.17 0.00 -0.02 0.00 0.00 35.03 30.92 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 -3.20 1.84 -0.31 7.82 0.00 -1.01 -4.69 121.76 122.22 2yro s ALA 70 Ca 0.15 -0.79 -0.26 0.00 0.00 0.00 0.00 51.96 51.06 2yro s ALA 70 Cb -0.07 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.29 2yro s ALA 70 CO 0.42 0.13 0.90 0.12 0.00 0.00 0.00 175.76 177.33 2yro s PHE 71 N 0.62 3.18 -0.28 0.00 2.19 -1.26 -2.86 117.98 119.56 2yro s PHE 71 Ca -0.14 0.96 -0.15 0.00 0.33 0.00 0.00 56.93 57.93 2yro s PHE 71 Cb -0.16 -3.40 -0.03 0.00 -1.31 0.00 0.00 43.02 38.11 2yro s PHE 71 CO 0.04 -0.64 0.39 0.08 1.83 0.00 0.00 175.22 176.92 2yro s VAL 72 N 3.23 5.15 -0.06 3.12 1.01 -1.17 -4.44 120.40 127.24 2yro s VAL 72 Ca 0.37 0.51 0.05 0.00 0.00 0.00 0.00 61.98 62.92 2yro s VAL 72 Cb -0.13 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 2yro s VAL 72 CO 0.14 0.10 -0.24 -0.13 0.00 0.00 0.00 175.10 174.96 2yro s ARG 73 N 2.10 2.56 0.10 2.72 0.52 -1.26 -2.20 118.95 123.49 2yro s ARG 73 Ca 0.15 -0.87 -0.25 0.00 -0.52 0.00 0.00 55.73 54.24 2yro s ARG 73 Cb -0.16 -2.12 0.09 0.00 0.52 0.00 0.00 34.95 33.28 2yro s ARG 73 CO 0.10 0.33 1.11 1.21 0.02 0.00 0.00 175.30 178.07 2yro s ASN 74 N -0.04 -0.05 -0.01 0.23 2.47 -0.98 -3.96 114.94 112.59 2yro s ASN 74 Ca -0.07 -0.43 0.00 0.00 0.42 0.00 0.00 52.86 52.79 2yro s ASN 74 Cb -0.14 0.37 0.01 0.00 -1.45 0.00 0.00 41.25 40.04 2yro s ASN 74 CO 0.05 -0.72 -0.00 -0.55 -3.72 0.00 0.00 177.10 172.15 2yro s SER 75 N -3.29 0.26 -0.43 -4.21 0.15 -1.26 -0.72 113.70 104.20 2yro s SER 75 Ca 0.19 -0.02 -0.10 0.00 0.70 0.00 0.00 55.95 56.73 2yro s SER 75 Cb -0.00 -0.10 0.08 0.00 -1.71 0.00 0.00 66.02 64.28 2yro s SER 75 CO 0.02 -0.05 0.28 0.12 1.20 0.00 0.00 173.24 174.81 2yro s PHE 76 N 0.54 3.33 0.03 3.44 5.36 -1.22 -0.52 117.98 128.94 2yro s PHE 76 Ca -0.05 -1.48 0.07 0.00 -0.96 0.00 0.00 56.93 54.51 2yro s PHE 76 Cb -0.08 -3.00 -0.02 0.00 -0.34 0.00 0.00 43.02 39.58 2yro s PHE 76 CO -0.01 -0.85 -0.21 -0.51 -1.46 0.00 0.00 175.22 172.18 2yro s LEU 77 N 1.45 2.15 -1.67 6.12 1.43 0.71 -1.96 118.68 126.89 2yro s LEU 77 Ca 0.03 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 52.47 2yro s LEU 77 Cb -0.23 -1.01 0.14 0.00 0.03 0.00 0.00 46.19 45.12 2yro s LEU 77 CO 0.02 0.18 0.68 0.00 0.23 0.00 0.00 176.35 177.46 2yro n GLN 78 N 1.95 -2.84 -3.57 1.70 6.02 -1.26 0.53 117.38 119.92 2yro n GLN 78 Ca -0.17 0.34 -0.24 0.00 -0.01 0.00 0.00 57.00 56.92 2yro n GLN 78 Cb 0.53 -4.90 0.07 0.00 1.02 0.00 0.00 30.24 26.96 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 -7.49 -3.82 -1.09 1.02 -1.26 -4.99 120.64 98.63 2yro n GLU 79 Ca 0.00 0.82 -0.12 0.00 -0.02 0.00 0.00 57.16 57.84 2yro n GLU 79 Cb 0.53 -5.85 -0.13 0.00 -0.02 0.00 0.00 31.44 25.97 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 -3.25 -0.14 -0.10 1.62 0.01 0.19 -5.15 113.70 106.88 2yro s SER 80 Ca 0.57 0.27 -0.15 0.00 1.31 0.00 0.00 55.95 57.95 2yro s SER 80 Cb -0.25 0.27 -0.05 0.00 0.21 0.00 0.00 66.02 66.20 2yro s SER 80 CO 0.70 -0.05 0.38 0.26 0.41 0.00 0.00 173.24 174.94 2yro s TRP 81 N 0.14 3.56 0.00 2.43 0.52 -1.26 -0.21 118.94 124.12 2yro s TRP 81 Ca -0.01 0.80 0.00 0.00 0.02 0.00 0.00 56.10 56.92 2yro s TRP 81 Cb -0.02 -2.38 0.00 0.00 -1.15 0.00 0.00 33.47 29.93 2yro s TRP 81 CO -0.00 0.36 0.00 0.41 0.02 0.00 0.00 176.95 177.74 2yro n GLY 82 N 2.83 -0.30 3.77 0.98 0.00 0.32 -4.97 105.19 107.81 2yro n GLY 82 Ca -0.11 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 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 3.33 -0.04 1.61 2.56 -1.26 -4.89 118.70 120.01 2yro s GLU 83 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 54.97 54.72 2yro s GLU 83 Cb 0.00 -3.04 0.01 0.00 2.00 0.00 0.00 34.13 33.11 2yro s GLU 83 CO 0.00 0.68 -0.06 -1.83 -0.56 0.00 0.00 175.26 173.49 2yro s GLU 84 N -0.79 0.87 -0.01 4.30 4.04 -1.25 -4.30 118.70 121.55 2yro s GLU 84 Ca 0.13 -0.18 0.03 0.00 0.04 0.00 0.00 54.97 54.98 2yro s GLU 84 Cb -0.12 -0.83 -0.00 0.00 0.02 0.00 0.00 34.13 33.20 2yro s GLU 84 CO 0.03 0.00 -0.10 -1.21 -1.84 0.00 0.00 175.26 172.14 2yro s GLU 85 N 0.58 0.90 -0.66 -4.83 0.41 -1.26 -5.00 118.70 108.84 2yro s GLU 85 Ca -0.08 -0.35 -0.11 0.00 -0.41 0.00 0.00 54.97 54.01 2yro s GLU 85 Cb -0.12 -0.85 0.17 0.00 -1.78 0.00 0.00 34.13 31.55 2yro s GLU 85 CO 0.01 0.18 0.57 1.03 -0.49 0.00 0.00 175.26 176.56 2yro s ARG 86 N -0.08 3.07 -0.30 1.61 0.52 -1.26 -4.40 118.95 118.11 2yro s ARG 86 Ca 0.01 -2.19 -0.13 0.00 -0.52 0.00 0.00 55.73 52.90 2yro s ARG 86 Cb -0.06 -4.18 0.16 0.00 0.52 0.00 0.00 34.95 31.39 2yro s ARG 86 CO -0.00 -1.26 0.92 1.21 0.02 0.00 0.00 175.30 176.19 2yro s ASN 87 N 2.29 -0.69 -0.06 0.23 2.47 -1.26 -4.98 114.94 112.94 2yro s ASN 87 Ca 0.12 0.88 -0.09 0.00 0.42 0.00 0.00 52.86 54.19 2yro s ASN 87 Cb -0.19 1.76 0.02 0.00 -1.45 0.00 0.00 41.25 41.39 2yro s ASN 87 CO -0.04 -0.13 0.22 0.27 -3.72 0.00 0.00 177.10 173.70 2yro s ILE 88 N 2.58 0.03 0.27 -5.21 -4.36 -1.26 -4.92 121.20 108.32 2yro s ILE 88 Ca -0.02 -0.22 -0.01 0.00 -0.26 0.00 0.00 60.65 60.14 2yro s ILE 88 Cb -0.08 -0.39 0.25 0.00 1.25 0.00 0.00 42.46 43.49 2yro s ILE 88 CO -0.17 -0.12 1.72 0.74 0.24 0.00 0.00 174.94 177.35 2yro h THR 89 N 4.54 0.59 -2.05 8.37 2.02 -1.99 -3.44 112.91 120.95 2yro h THR 89 Ca -0.27 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 66.76 2yro h THR 89 Cb 1.19 0.10 -0.19 0.00 -1.74 0.00 0.00 68.15 67.52 2yro h THR 89 CO 0.38 0.08 0.34 -0.55 0.37 0.00 0.00 175.52 176.14 2yro s SER 90 N -5.29 -0.52 -0.44 4.18 0.15 -1.26 -5.13 113.70 105.38 2yro s SER 90 Ca -0.12 0.43 -0.13 0.00 0.70 0.00 0.00 55.95 56.83 2yro s SER 90 Cb 0.23 0.46 0.07 0.00 -1.71 0.00 0.00 66.02 65.06 2yro s SER 90 CO 0.77 -0.59 0.32 0.12 1.20 0.00 0.00 173.24 175.06 2yro s PHE 91 N -1.80 3.28 -0.02 3.44 5.36 -1.26 -4.96 117.98 122.02 2yro s PHE 91 Ca -0.04 -1.14 -0.25 0.00 -0.96 0.00 0.00 56.93 54.53 2yro s PHE 91 Cb -0.00 -2.97 -0.20 0.00 -0.34 0.00 0.00 43.02 39.51 2yro s PHE 91 CO 0.02 -0.79 1.23 -1.00 -1.46 0.00 0.00 175.22 173.22 2yro h PRO 92 N 8.58 -0.06 -6.03 10.12 0.13 -1.99 -3.45 132.00 139.30 2yro h PRO 92 Ca -0.26 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.13 2yro h PRO 92 Cb 1.10 0.01 0.07 0.00 0.13 0.00 0.00 31.00 32.31 2yro h PRO 92 CO 0.80 0.40 -0.06 1.19 -0.23 0.00 0.00 178.00 180.10 2yro n PHE 93 N -4.89 0.42 -3.85 1.56 3.72 -1.26 -4.96 117.46 108.19 2yro n PHE 93 Ca -0.08 1.00 -0.11 0.00 -0.05 0.00 0.00 57.45 58.20 2yro n PHE 93 Cb 0.25 -2.07 -0.10 0.00 -0.94 0.00 0.00 39.48 36.62 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 -0.24 -0.02 -0.04 4.37 0.01 -1.26 -4.98 113.70 111.55 2yro s SER 94 Ca 0.83 -0.11 -0.30 0.00 1.31 0.00 0.00 55.95 57.68 2yro s SER 94 Cb -1.15 0.23 -0.05 0.00 0.21 0.00 0.00 66.02 65.26 2yro s SER 94 CO 0.56 -0.34 1.48 -2.16 0.41 0.00 0.00 173.24 173.19 2yro s PRO 95 N -1.20 4.24 0.00 12.44 0.04 -1.26 -3.29 135.00 145.97 2yro s PRO 95 Ca -0.13 2.02 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2yro s PRO 95 Cb -0.07 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.74 2yro s PRO 95 CO 0.02 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 176.77 2yro n GLY 96 N 3.82 0.85 3.20 0.56 0.00 -0.58 -4.68 105.19 108.37 2yro n GLY 96 Ca 0.15 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 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 -4.32 0.97 -0.25 1.61 0.23 -1.21 -4.94 119.30 111.40 2yro s MET 97 Ca 0.00 -1.35 -0.08 0.00 -1.03 0.00 0.00 55.69 53.22 2yro s MET 97 Cb 0.00 0.28 -0.04 0.00 -1.53 0.00 0.00 34.83 33.54 2yro s MET 97 CO 0.00 -0.30 0.10 -0.47 -2.03 0.00 0.00 175.02 172.33 2yro s TYR 98 N -4.02 3.13 0.09 3.16 5.04 -1.26 -1.33 117.35 122.17 2yro s TYR 98 Ca 0.21 -0.24 0.09 0.00 -2.44 0.00 0.00 57.07 54.70 2yro s TYR 98 Cb 0.06 -2.26 -0.03 0.00 0.35 0.00 0.00 41.96 40.08 2yro s TYR 98 CO 0.01 -0.26 -0.24 -0.59 -1.34 0.00 0.00 175.55 173.12 2yro s PHE 99 N 1.55 2.07 -0.15 4.97 -0.12 -1.19 -4.95 117.98 120.17 2yro s PHE 99 Ca 0.06 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.55 2yro s PHE 99 Cb -0.15 -1.16 0.03 0.00 -0.63 0.00 0.00 43.02 41.10 2yro s PHE 99 CO 0.05 0.22 -0.10 -2.00 -0.05 0.00 0.00 175.22 173.34 2yro s GLU 100 N -1.73 1.92 -0.21 1.99 -6.30 -1.26 -3.33 118.70 109.77 2yro s GLU 100 Ca 0.10 -0.50 -0.12 0.00 -2.50 0.00 0.00 54.97 51.95 2yro s GLU 100 Cb -0.10 -1.98 -0.05 0.00 0.00 0.00 0.00 34.13 32.01 2yro s GLU 100 CO 0.04 -0.30 0.23 1.41 0.02 0.00 0.00 175.26 176.66 2yro s MET 101 N 1.56 4.14 -0.25 4.30 -2.45 -1.04 -2.40 119.30 123.16 2yro s MET 101 Ca 0.04 -0.10 -0.02 0.00 -1.25 0.00 0.00 55.69 54.35 2yro s MET 101 Cb -0.13 -3.51 0.02 0.00 1.25 0.00 0.00 34.83 32.46 2yro s MET 101 CO -0.09 0.10 -0.04 0.42 1.05 0.00 0.00 175.02 176.45 2yro s ILE 102 N 0.94 3.01 -0.42 10.11 1.01 -0.83 -0.51 121.20 134.50 2yro s ILE 102 Ca 0.12 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 59.65 2yro s ILE 102 Cb -0.13 -2.53 0.05 0.00 0.01 0.00 0.00 42.46 39.85 2yro s ILE 102 CO 0.04 0.18 0.29 -0.63 0.00 0.00 0.00 174.94 174.82 2yro s ILE 103 N 1.34 4.79 -0.08 2.92 1.01 -0.60 -2.57 121.20 128.01 2yro s ILE 103 Ca 0.00 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.64 2yro s ILE 103 Cb -0.17 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 2yro s ILE 103 CO -0.04 -0.41 -0.09 -0.47 0.00 0.00 0.00 174.94 173.93 2yro s TYR 104 N 1.57 2.87 -0.37 3.97 5.04 -1.22 -1.64 117.35 127.55 2yro s TYR 104 Ca 0.03 -0.13 -0.04 0.00 -2.44 0.00 0.00 57.07 54.50 2yro s TYR 104 Cb -0.22 -1.73 0.08 0.00 0.35 0.00 0.00 41.96 40.45 2yro s TYR 104 CO 0.06 0.20 0.14 0.00 -1.34 0.00 0.00 175.55 174.61 2yro n ASP 106 N 4.65 3.60 -1.86 0.00 -0.08 -1.25 -0.28 116.55 121.33 2yro n ASP 106 Ca -0.07 -3.06 -0.10 0.00 -1.51 0.00 0.00 54.79 50.05 2yro n ASP 106 Cb 0.42 -0.72 -0.02 0.00 2.34 0.00 0.00 41.12 43.14 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 -0.52 -0.23 0.00 5.18 0.31 -1.26 -4.58 118.33 117.23 2yro n VAL 107 Ca 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.72 2yro n VAL 107 Cb 1.27 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 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 0.70 -3.61 5.55 5.12 -1.26 -5.09 116.66 115.87 2yro n ARG 108 Ca -0.11 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.79 2yro n ARG 108 Cb 0.45 -0.63 -0.01 0.00 -1.16 0.00 0.00 32.46 31.11 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 0.53 -0.49 5.56 -1.05 -1.26 -3.44 118.70 117.30 2yro s GLU 109 Ca 0.00 -0.25 -0.21 0.00 -0.15 0.00 0.00 54.97 54.36 2yro s GLU 109 Cb 0.00 0.21 0.04 0.00 -0.44 0.00 0.00 34.13 33.94 2yro s GLU 109 CO 0.00 -0.24 0.71 -0.06 0.95 0.00 0.00 175.26 176.62 2yro s PHE 110 N -2.64 3.00 0.30 4.83 0.40 0.18 -3.87 117.98 120.17 2yro s PHE 110 Ca 0.11 -0.21 -0.04 0.00 -0.60 0.00 0.00 56.93 56.18 2yro s PHE 110 Cb 0.01 -3.59 -0.05 0.00 0.51 0.00 0.00 43.02 39.90 2yro s PHE 110 CO -0.04 -1.04 0.55 0.15 0.70 0.00 0.00 175.22 175.54 2yro s LYS 111 N 3.01 3.61 -0.17 0.44 1.02 -1.13 -1.63 119.74 124.89 2yro s LYS 111 Ca 0.22 -0.04 -0.07 0.00 0.02 0.00 0.00 55.97 56.10 2yro s LYS 111 Cb -0.15 -2.65 0.07 0.00 -0.52 0.00 0.00 37.83 34.58 2yro s LYS 111 CO 0.17 0.20 0.37 0.54 -0.92 0.00 0.00 175.35 175.71 2yro s VAL 112 N -2.12 -0.40 0.17 3.17 0.11 -1.25 -3.45 120.40 116.63 2yro s VAL 112 Ca 0.43 0.18 0.11 0.00 -2.93 0.00 0.00 61.98 59.77 2yro s VAL 112 Cb -0.11 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 2yro s VAL 112 CO 0.31 0.07 -0.24 0.00 -3.33 0.00 0.00 175.10 171.92 2yro s ALA 113 N 2.18 2.53 -0.05 1.54 0.00 -1.06 -3.63 121.76 123.26 2yro s ALA 113 Ca -0.03 -1.57 0.01 0.00 0.00 0.00 0.00 51.96 50.37 2yro s ALA 113 Cb -0.11 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.64 2yro s ALA 113 CO -0.11 0.47 -0.07 0.08 0.00 0.00 0.00 175.76 176.13 2yro s VAL 114 N -1.48 0.74 -1.38 0.00 1.01 -0.94 -1.97 120.40 116.38 2yro s VAL 114 Ca 0.19 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 2yro s VAL 114 Cb -0.09 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.57 2yro s VAL 114 CO 0.09 0.27 0.66 0.59 0.00 0.00 0.00 175.10 176.71 2yro n ASN 115 N 4.04 -5.78 -2.84 3.32 4.13 -1.01 -2.26 115.26 114.85 2yro n ASN 115 Ca -0.23 -0.31 -0.19 0.00 1.68 0.00 0.00 54.58 55.53 2yro n ASN 115 Cb 0.51 -4.57 0.05 0.00 -1.54 0.00 0.00 39.78 34.24 2yro n ASN 115 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2yro n GLY 116 N -1.54 -0.26 3.09 7.41 0.00 -1.26 -5.00 105.19 107.62 2yro n GLY 116 Ca -0.08 0.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.20 -0.68 0.22 1.61 1.01 -0.96 -5.13 120.40 113.27 2yro s VAL 117 Ca 0.41 0.03 -0.32 0.00 0.00 0.00 0.00 61.98 62.10 2yro s VAL 117 Cb -0.18 -0.78 -0.13 0.00 0.00 0.00 0.00 36.38 35.29 2yro s VAL 117 CO 0.50 -0.03 1.62 1.57 0.00 0.00 0.00 175.10 178.76 2yro n HIS 118 N 5.38 2.60 -0.01 5.22 -0.00 -1.26 -2.20 115.22 124.95 2yro n HIS 118 Ca -0.05 0.19 -0.02 0.00 0.46 0.00 0.00 57.72 58.30 2yro n HIS 118 Cb 0.50 -2.60 -0.01 0.00 -0.12 0.00 0.00 29.99 27.76 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 3.20 0.57 -3.92 0.26 7.64 -1.24 -4.93 113.62 115.20 2yro n SER 119 Ca 0.14 0.09 -0.10 0.00 1.01 0.00 0.00 58.87 60.01 2yro n SER 119 Cb 0.33 -0.39 -0.10 0.00 -1.01 0.00 0.00 64.21 63.05 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 -5.91 1.77 0.41 -3.43 -0.00 -1.26 -5.05 118.68 105.22 2yro s LEU 120 Ca -0.06 -0.42 0.07 0.00 -0.00 0.00 0.00 54.13 53.72 2yro s LEU 120 Cb 0.01 0.57 -0.04 0.00 -0.00 0.00 0.00 46.19 46.72 2yro s LEU 120 CO 0.09 -0.44 0.23 -1.61 -0.00 0.00 0.00 176.35 174.63 2yro s GLU 121 N -2.07 2.32 -0.22 1.48 2.02 -1.26 -3.79 118.70 117.18 2yro s GLU 121 Ca -0.10 -1.74 -0.03 0.00 0.02 0.00 0.00 54.97 53.12 2yro s GLU 121 Cb -0.04 -2.10 0.11 0.00 0.10 0.00 0.00 34.13 32.20 2yro s GLU 121 CO -0.02 -0.13 0.32 -0.47 0.02 0.00 0.00 175.26 174.98 2yro s TYR 122 N -2.55 -0.62 0.88 1.61 6.14 -0.64 -5.03 117.35 117.13 2yro s TYR 122 Ca 0.43 0.67 -0.17 0.00 0.64 0.00 0.00 57.07 58.64 2yro s TYR 122 Cb 0.02 -0.10 -0.13 0.00 0.42 0.00 0.00 41.96 42.17 2yro s TYR 122 CO 0.24 -0.65 -0.51 1.63 0.64 0.00 0.00 175.55 176.90 2yro n LYS 123 N 5.35 -0.01 -1.60 4.97 5.02 -1.26 0.48 118.16 131.12 2yro n LYS 123 Ca -0.05 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.86 2yro n LYS 123 Cb 0.50 -1.10 -0.03 0.00 -0.02 0.00 0.00 35.03 34.37 2yro n LYS 123 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2yro s HIS 124 N -2.03 1.13 -0.13 2.13 3.76 -1.22 -4.14 115.29 114.80 2yro s HIS 124 Ca 0.46 1.20 -0.21 0.00 -0.15 0.00 0.00 55.06 56.37 2yro s HIS 124 Cb -0.26 -3.72 -0.18 0.00 1.11 0.00 0.00 32.58 29.53 2yro s HIS 124 CO 0.77 -3.03 0.55 0.00 -0.85 0.00 0.00 174.74 172.19 2yro h ARG 125 N 17.90 -0.00 -5.43 1.40 2.47 -1.84 -3.44 114.38 125.45 2yro h ARG 125 Ca -0.30 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 57.79 2yro h ARG 125 Cb 1.25 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.44 2yro h ARG 125 CO 1.10 0.70 0.10 0.12 0.56 0.00 0.00 179.97 182.54 2yro s PHE 126 N -2.05 3.17 0.04 3.04 5.36 -1.26 -4.98 117.98 121.30 2yro s PHE 126 Ca -0.13 0.34 -0.18 0.00 -0.96 0.00 0.00 56.93 55.99 2yro s PHE 126 Cb -0.02 -3.07 -0.09 0.00 -0.34 0.00 0.00 43.02 39.50 2yro s PHE 126 CO 0.49 -0.58 1.28 0.87 -1.46 0.00 0.00 175.22 175.81 2yro h LYS 127 N 8.42 -0.51 -5.70 10.12 1.79 -1.98 -3.38 116.57 125.33 2yro h LYS 127 Ca -0.27 0.03 -0.52 0.00 -2.18 0.00 0.00 60.65 57.72 2yro h LYS 127 Cb 1.11 0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.88 2yro h LYS 127 CO 0.82 -0.34 1.59 -1.91 -1.08 0.00 0.00 179.45 178.52 2yro n GLU 128 N -3.89 1.19 -0.02 3.15 4.07 -1.26 -4.78 120.64 119.11 2yro n GLU 128 Ca -0.06 0.17 -0.11 0.00 -0.06 0.00 0.00 57.16 57.09 2yro n GLU 128 Cb 0.24 -3.11 -0.14 0.00 -0.06 0.00 0.00 31.44 28.36 2yro n GLU 128 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2yro n LEU 129 N 13.70 1.19 -1.25 4.31 4.77 -1.26 -3.99 117.00 134.48 2yro n LEU 129 Ca 0.38 0.36 -0.04 0.00 -0.03 0.00 0.00 56.01 56.68 2yro n LEU 129 Cb 0.44 -0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.54 2yro n LEU 129 CO 0.72 0.48 0.65 -1.54 -1.33 0.00 0.00 177.39 176.38 2yro n SER 130 N -3.12 3.01 -0.04 -1.43 3.41 -1.25 -3.45 113.62 110.75 2yro n SER 130 Ca -0.20 -2.44 -0.06 0.00 -0.26 0.00 0.00 58.87 55.91 2yro n SER 130 Cb 1.05 -0.59 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 2yro n SER 130 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2yro n SER 131 N 0.05 3.22 -4.54 4.04 3.41 -1.26 -4.86 113.62 113.68 2yro n SER 131 Ca 0.16 -0.03 -0.32 0.00 -0.26 0.00 0.00 58.87 58.41 2yro n SER 131 Cb 0.77 0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.78 2yro n SER 131 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2yro n ILE 132 N -2.62 -0.06 -1.85 -1.33 5.41 -1.24 -4.16 119.36 113.52 2yro n ILE 132 Ca -0.15 -0.63 0.05 0.00 1.00 0.00 0.00 62.75 63.02 2yro n ILE 132 Cb 0.70 -2.23 0.16 0.00 -0.71 0.00 0.00 39.64 37.56 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 15.32 1.53 -3.76 4.38 2.03 -1.26 -0.90 116.55 133.89 2yro n ASP 133 Ca 0.44 -3.39 -0.13 0.00 0.52 0.00 0.00 54.79 52.23 2yro n ASP 133 Cb 0.44 -0.47 -0.10 0.00 -0.72 0.00 0.00 41.12 40.27 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 -2.37 0.03 -0.21 5.18 2.01 -1.18 -3.35 115.64 115.76 2yro s THR 134 Ca 0.37 -0.21 -0.02 0.00 0.31 0.00 0.00 61.69 62.14 2yro s THR 134 Cb 0.38 -0.53 0.06 0.00 0.01 0.00 0.00 72.50 72.41 2yro s THR 134 CO -0.10 -0.11 0.02 -0.22 -0.69 0.00 0.00 174.62 173.52 2yro s LEU 135 N -0.48 1.48 -0.25 4.42 2.96 -0.74 -3.63 118.68 122.43 2yro s LEU 135 Ca -0.06 -0.91 -0.03 0.00 -0.22 0.00 0.00 54.13 52.90 2yro s LEU 135 Cb -0.04 -0.71 0.01 0.00 0.50 0.00 0.00 46.19 45.95 2yro s LEU 135 CO 0.02 -0.30 -0.02 -1.61 -1.32 0.00 0.00 176.35 173.12 2yro s GLU 136 N 1.76 3.04 -0.04 1.98 2.02 -0.76 -2.33 118.70 124.36 2yro s GLU 136 Ca -0.02 -0.86 0.06 0.00 0.02 0.00 0.00 54.97 54.18 2yro s GLU 136 Cb -0.17 -3.09 -0.02 0.00 0.10 0.00 0.00 34.13 30.95 2yro s GLU 136 CO -0.08 -0.36 -0.22 0.42 0.02 0.00 0.00 175.26 175.04 2yro s ILE 137 N 1.41 2.35 -0.12 -1.63 1.01 -0.17 -0.71 121.20 123.34 2yro s ILE 137 Ca 0.02 -0.98 -0.13 0.00 0.00 0.00 0.00 60.65 59.57 2yro s ILE 137 Cb -0.16 -1.86 0.03 0.00 0.01 0.00 0.00 42.46 40.48 2yro s ILE 137 CO -0.02 0.58 0.35 0.21 0.00 0.00 0.00 174.94 176.05 2yro s ASN 138 N -0.47 -0.35 0.00 3.58 3.04 -0.81 -0.42 114.94 119.51 2yro s ASN 138 Ca 0.06 0.65 0.00 0.00 0.04 0.00 0.00 52.86 53.61 2yro s ASN 138 Cb -0.11 0.68 0.00 0.00 -1.54 0.00 0.00 41.25 40.28 2yro s ASN 138 CO 0.01 -0.16 0.00 0.61 -3.04 0.00 0.00 177.10 174.52 2yro n GLY 139 N 2.72 -0.82 2.25 1.21 0.00 -1.26 -0.73 105.19 108.55 2yro n GLY 139 Ca -0.14 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 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 0.72 6.45 -4.52 1.61 8.00 -1.04 -4.96 116.55 122.80 2yro n ASP 140 Ca 0.00 -3.77 -0.26 0.00 0.71 0.00 0.00 54.79 51.46 2yro n ASP 140 Cb 0.00 -0.70 -0.10 0.00 -0.02 0.00 0.00 41.12 40.30 2yro n ASP 140 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2yro s ILE 141 N -4.79 1.38 -0.33 0.53 -5.25 -1.26 -3.94 121.20 107.55 2yro s ILE 141 Ca 0.58 -2.00 -0.06 0.00 -0.99 0.00 0.00 60.65 58.18 2yro s ILE 141 Cb 0.46 -2.69 0.04 0.00 2.95 0.00 0.00 42.46 43.22 2yro s ILE 141 CO -0.02 0.00 0.09 -2.28 -1.79 0.00 0.00 174.94 170.94 2yro s HIS 142 N -3.01 3.25 -0.41 1.37 5.65 0.04 -4.88 115.29 117.30 2yro s HIS 142 Ca 0.29 -1.44 -0.27 0.00 0.25 0.00 0.00 55.06 53.89 2yro s HIS 142 Cb 0.07 -2.25 0.02 0.00 -1.18 0.00 0.00 32.58 29.24 2yro s HIS 142 CO 0.14 -0.73 0.99 -1.17 -0.65 0.00 0.00 174.74 173.33 2yro s LEU 143 N 1.39 3.91 -0.04 8.88 2.96 -1.26 -1.18 118.68 133.35 2yro s LEU 143 Ca -0.02 0.49 -0.16 0.00 -0.22 0.00 0.00 54.13 54.22 2yro s LEU 143 Cb -0.19 -3.34 -0.10 0.00 0.50 0.00 0.00 46.19 43.06 2yro s LEU 143 CO 0.02 -1.00 0.68 -0.07 -1.32 0.00 0.00 176.35 174.66 2yro h LEU 144 N 10.47 -0.43 -7.00 -0.68 3.38 -1.80 -1.05 115.31 118.19 2yro h LEU 144 Ca -0.23 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 57.84 2yro h LEU 144 Cb 1.07 0.11 -0.25 0.00 0.09 0.00 0.00 40.66 41.68 2yro h LEU 144 CO 1.03 0.01 0.68 -0.70 0.09 0.00 0.00 178.44 179.55 2yro s GLU 145 N -3.39 0.39 -0.10 1.13 2.12 -1.01 -3.32 118.70 114.51 2yro s GLU 145 Ca -0.09 0.16 -0.02 0.00 0.36 0.00 0.00 54.97 55.38 2yro s GLU 145 Cb 0.01 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.55 2yro s GLU 145 CO 0.28 -0.11 -0.02 0.08 -0.54 0.00 0.00 175.26 174.95 2yro s VAL 146 N -0.84 4.14 0.09 3.70 1.01 -1.26 -2.39 120.40 124.85 2yro s VAL 146 Ca 0.03 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 61.78 2yro s VAL 146 Cb -0.01 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 2yro s VAL 146 CO -0.03 0.57 -0.20 -0.13 0.00 0.00 0.00 175.10 175.31 2yro s ARG 147 N -0.55 1.12 -0.19 2.72 0.52 -0.87 -5.01 118.95 116.67 2yro s ARG 147 Ca 0.09 -1.13 -0.05 0.00 -0.52 0.00 0.00 55.73 54.13 2yro s ARG 147 Cb -0.12 -1.35 0.10 0.00 0.52 0.00 0.00 34.95 34.10 2yro s ARG 147 CO 0.02 0.32 0.34 -1.54 0.02 0.00 0.00 175.30 174.46 2yro s SER 148 N -1.84 0.25 -0.17 0.23 1.04 -1.26 0.01 113.70 111.97 2yro s SER 148 Ca 0.06 0.50 -0.04 0.00 0.48 0.00 0.00 55.95 56.95 2yro s SER 148 Cb -0.10 0.99 0.06 0.00 0.10 0.00 0.00 66.02 67.07 2yro s SER 148 CO 0.04 -0.27 0.06 -1.66 0.98 0.00 0.00 173.24 172.39 2yro s TRP 149 N 2.51 0.59 0.10 5.02 -2.14 -0.16 -4.96 118.94 119.90 2yro s TRP 149 Ca 0.05 -0.52 -0.03 0.00 2.66 0.00 0.00 56.10 58.26 2yro s TRP 149 Cb -0.14 -0.84 -0.19 0.00 -3.10 0.00 0.00 33.47 29.20 2yro s TRP 149 CO -0.13 -0.53 1.22 0.66 -2.66 0.00 0.00 176.95 175.52 2yro h SER 150 N 8.34 0.42 -4.11 -2.66 4.64 -1.79 -3.23 113.55 115.15 2yro h SER 150 Ca -0.16 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 2yro h SER 150 Cb 1.13 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 2yro h SER 150 CO 0.30 1.27 -0.69 0.61 -0.87 0.00 0.00 176.83 177.45 2yro n GLY 151 N 1.28 -3.90 0.07 -0.77 0.00 -1.26 -4.69 105.19 95.91 2yro n GLY 151 Ca -0.07 0.44 -0.13 0.00 0.00 0.00 0.00 46.02 46.26 2yro n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yro h PRO 152 N 1.89 -0.03 -5.83 1.61 0.13 -1.96 -3.41 132.00 124.40 2yro h PRO 152 Ca -0.14 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.52 2yro h PRO 152 Cb 0.32 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.43 2yro h PRO 152 CO 0.03 0.45 1.42 -1.54 -0.23 0.00 0.00 178.00 178.13 2yro s SER 153 N -5.65 4.94 -0.00 1.44 1.04 -1.26 -4.91 113.70 109.30 2yro s SER 153 Ca -0.16 0.57 -0.13 0.00 0.48 0.00 0.00 55.95 56.72 2yro s SER 153 Cb 0.02 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.63 2yro s SER 153 CO 0.66 -2.59 0.27 -0.44 0.98 0.00 0.00 173.24 172.11 2yro s SER 154 N 9.62 -0.13 0.00 7.02 0.01 -1.26 -5.24 113.70 123.73 2yro s SER 154 Ca 0.78 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 58.03 2yro s SER 154 Cb -0.14 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.38 2yro s SER 154 CO 0.22 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 174.03