#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yro h SER 2 N 0.00 0.38 -4.62 1.61 0.02 -2.09 -3.48 113.55 105.38 2yro h SER 2 Ca 0.00 -0.39 0.20 0.00 -0.84 0.00 0.00 61.79 60.76 2yro h SER 2 Cb 0.00 -0.10 -0.16 0.00 0.14 0.00 0.00 62.40 62.28 2yro h SER 2 CO 0.00 0.68 0.67 -0.55 -1.14 0.00 0.00 176.83 176.50 2yro s SER 3 N -6.00 -0.21 0.00 3.07 0.15 -1.26 -5.09 113.70 104.36 2yro s SER 3 Ca -0.14 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2yro s SER 3 Cb 0.06 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2yro s SER 3 CO 0.74 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 175.36 2yro n GLY 4 N -0.21 0.00 3.29 9.45 0.00 -1.26 -5.17 105.19 111.29 2yro n GLY 4 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 2yro n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yro s SER 5 N 0.00 1.08 0.99 1.61 1.04 -1.26 -5.15 113.70 112.01 2yro s SER 5 Ca 0.00 -1.48 -0.18 0.00 0.48 0.00 0.00 55.95 54.77 2yro s SER 5 Cb 0.00 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.47 2yro s SER 5 CO 0.00 -0.84 -0.40 -1.20 0.98 0.00 0.00 173.24 171.78 2yro n SER 6 N -0.66 -2.68 0.01 7.02 7.64 -1.26 -4.92 113.62 118.77 2yro n SER 6 Ca 0.01 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2yro n SER 6 Cb 0.65 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2yro n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yro n GLY 7 N 2.68 -1.56 3.77 0.23 0.00 -1.26 -5.14 105.19 103.92 2yro n GLY 7 Ca 0.01 0.62 -0.38 0.00 0.00 0.00 0.00 46.02 46.27 2yro n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yro s PRO 8 N -1.87 3.93 0.13 1.61 0.04 -1.26 -5.04 135.00 132.54 2yro s PRO 8 Ca 0.00 1.84 -0.25 0.00 0.04 0.00 0.00 61.00 62.64 2yro s PRO 8 Cb 0.00 -2.58 0.07 0.00 0.04 0.00 0.00 34.50 32.03 2yro s PRO 8 CO 0.00 -0.43 0.77 -1.59 0.04 0.00 0.00 177.00 175.79 2yro s LYS 9 N -2.44 1.22 0.30 4.56 -2.85 -1.26 -5.19 119.74 114.08 2yro s LYS 9 Ca 0.60 -0.55 0.05 0.00 -1.00 0.00 0.00 55.97 55.07 2yro s LYS 9 Cb -0.31 0.50 -0.06 0.00 -2.06 0.00 0.00 37.83 35.90 2yro s LYS 9 CO 0.38 -0.55 0.01 -1.54 0.10 0.00 0.00 175.35 173.75 2yro s SER 10 N -2.73 2.50 0.00 0.03 1.04 -1.26 -5.00 113.70 108.28 2yro s SER 10 Ca 0.06 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.20 2yro s SER 10 Cb -0.02 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.98 2yro s SER 10 CO -0.06 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2yro n GLY 11 N -0.62 1.25 3.62 7.32 0.00 -1.26 -5.11 105.19 110.40 2yro n GLY 11 Ca -0.04 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 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 3.63 -1.41 2.61 -2.24 -1.26 -4.96 114.28 110.65 2yro n THR 12 Ca 0.00 -0.46 -0.32 0.00 -2.27 0.00 0.00 64.05 61.00 2yro n THR 12 Cb 0.00 -1.16 0.08 0.00 -2.10 0.00 0.00 70.33 67.15 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 -3.01 2.41 0.38 -0.78 0.04 -1.26 -5.07 135.00 127.72 2yro s PRO 13 Ca 0.76 1.24 0.08 0.00 0.04 0.00 0.00 61.00 63.12 2yro s PRO 13 Cb -0.39 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 2yro s PRO 13 CO 0.47 -1.53 0.28 -0.65 0.04 0.00 0.00 177.00 175.60 2yro s GLN 14 N -4.65 2.48 0.51 4.56 1.11 -1.26 -4.62 119.66 117.79 2yro s GLN 14 Ca 0.63 -1.55 0.04 0.00 0.01 0.00 0.00 55.36 54.48 2yro s GLN 14 Cb -0.18 -2.28 0.00 0.00 -1.01 0.00 0.00 33.01 29.54 2yro s GLN 14 CO 0.52 -0.06 0.19 -0.51 0.01 0.00 0.00 175.29 175.43 2yro s LEU 15 N -4.00 2.56 0.07 2.90 1.43 -1.21 -5.02 118.68 115.40 2yro s LEU 15 Ca 0.43 -1.42 0.06 0.00 -1.03 0.00 0.00 54.13 52.17 2yro s LEU 15 Cb -0.02 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.17 2yro s LEU 15 CO 0.26 -0.92 -0.17 -0.44 0.23 0.00 0.00 176.35 175.30 2yro s SER 16 N -4.05 2.02 0.11 2.29 0.01 -1.26 -4.63 113.70 108.19 2yro s SER 16 Ca 0.22 -0.57 0.04 0.00 1.31 0.00 0.00 55.95 56.94 2yro s SER 16 Cb 0.00 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.08 2yro s SER 16 CO 0.13 0.03 0.11 -0.76 0.41 0.00 0.00 173.24 173.15 2yro s LEU 17 N -1.52 3.83 0.23 2.44 1.43 -1.26 -3.20 118.68 120.63 2yro s LEU 17 Ca 0.03 -0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 52.79 2yro s LEU 17 Cb -0.09 -2.49 -0.09 0.00 0.03 0.00 0.00 46.19 43.55 2yro s LEU 17 CO 0.02 0.13 1.29 -2.16 0.23 0.00 0.00 176.35 175.86 2yro s PRO 18 N -2.66 4.41 -0.77 1.29 0.04 -1.26 -5.06 135.00 130.98 2yro s PRO 18 Ca 0.30 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 63.16 2yro s PRO 18 Cb -0.11 -3.17 0.06 0.00 0.04 0.00 0.00 34.50 31.32 2yro s PRO 18 CO 0.23 -0.19 1.15 0.12 0.04 0.00 0.00 177.00 178.34 2yro s PHE 19 N -0.22 2.61 -0.38 0.56 5.36 0.17 -4.88 117.98 121.20 2yro s PHE 19 Ca 0.54 -0.57 -0.02 0.00 -0.96 0.00 0.00 56.93 55.92 2yro s PHE 19 Cb -0.36 -4.45 0.09 0.00 -0.34 0.00 0.00 43.02 37.96 2yro s PHE 19 CO 0.41 -1.79 0.14 0.00 -1.46 0.00 0.00 175.22 172.52 2yro s ALA 20 N 4.47 3.05 0.00 11.12 0.00 -1.26 -1.34 121.76 137.80 2yro s ALA 20 Ca 0.31 -2.35 -0.09 0.00 0.00 0.00 0.00 51.96 49.83 2yro s ALA 20 Cb -0.10 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.76 2yro s ALA 20 CO 0.06 -1.66 0.17 0.00 0.00 0.00 0.00 175.76 174.32 2yro s ALA 21 N 1.15 -0.40 -0.05 0.00 0.00 -1.20 -5.02 121.76 116.24 2yro s ALA 21 Ca 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.90 2yro s ALA 21 Cb -0.22 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 2yro s ALA 21 CO -0.04 -0.23 0.10 1.03 0.00 0.00 0.00 175.76 176.62 2yro s ARG 22 N -1.50 3.21 0.03 0.00 0.52 -1.26 -1.80 118.95 118.15 2yro s ARG 22 Ca -0.14 -0.35 -0.25 0.00 -0.52 0.00 0.00 55.73 54.47 2yro s ARG 22 Cb -0.07 -2.97 -0.05 0.00 0.52 0.00 0.00 34.95 32.38 2yro s ARG 22 CO 0.02 0.70 0.77 -0.51 0.02 0.00 0.00 175.30 176.29 2yro s LEU 23 N -1.45 4.43 0.32 2.53 1.43 -0.02 -4.93 118.68 120.99 2yro s LEU 23 Ca 0.20 1.42 0.17 0.00 -1.03 0.00 0.00 54.13 54.89 2yro s LEU 23 Cb -0.12 -3.23 1.15 0.00 0.03 0.00 0.00 46.19 44.02 2yro s LEU 23 CO 0.10 -0.02 1.39 0.59 0.23 0.00 0.00 176.35 178.65 2yro n ASN 24 N 3.00 0.27 -4.21 2.29 3.02 -1.26 -4.35 115.26 114.02 2yro n ASN 24 Ca -0.02 1.47 -0.19 0.00 -0.03 0.00 0.00 54.58 55.81 2yro n ASN 24 Cb 0.50 -0.70 -0.12 0.00 -0.61 0.00 0.00 39.78 38.86 2yro n ASN 24 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2yro s THR 25 N -5.38 1.27 -0.06 3.41 -4.23 -1.26 -5.11 115.64 104.27 2yro s THR 25 Ca -0.08 -1.52 -0.30 0.00 -1.18 0.00 0.00 61.69 58.61 2yro s THR 25 Cb 0.30 -1.33 -0.05 0.00 1.34 0.00 0.00 72.50 72.76 2yro s THR 25 CO 0.69 -0.30 1.49 -2.16 -0.54 0.00 0.00 174.62 173.81 2yro s PRO 26 N -2.18 4.22 1.07 3.99 0.04 -1.26 -4.87 135.00 136.00 2yro s PRO 26 Ca 0.04 2.01 -0.18 0.00 0.04 0.00 0.00 61.00 62.91 2yro s PRO 26 Cb -0.08 -3.81 0.24 0.00 0.04 0.00 0.00 34.50 30.89 2yro s PRO 26 CO 0.03 -0.74 1.25 0.00 0.04 0.00 0.00 177.00 177.57 2yro s MET 27 N 3.43 -0.20 0.00 4.56 0.23 -0.30 -4.88 119.30 122.14 2yro s MET 27 Ca 0.66 -0.32 0.00 0.00 -1.03 0.00 0.00 55.69 55.01 2yro s MET 27 Cb -0.30 -1.74 0.00 0.00 -1.53 0.00 0.00 34.83 31.26 2yro s MET 27 CO 0.25 -2.99 0.00 0.41 -2.03 0.00 0.00 175.02 170.66 2yro n GLY 28 N -2.68 -0.70 3.77 3.16 0.00 -1.25 -3.90 105.19 103.59 2yro n GLY 28 Ca 0.15 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 2yro n GLY 28 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yro s PRO 29 N -0.71 3.79 0.00 1.61 0.04 -1.26 -3.09 135.00 135.37 2yro s PRO 29 Ca 0.00 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2yro s PRO 29 Cb 0.00 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.10 2yro s PRO 29 CO 0.00 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.92 2yro n GLY 30 N 0.46 2.73 3.82 0.56 0.00 0.60 -4.98 105.19 108.39 2yro n GLY 30 Ca 0.07 0.00 -0.33 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 -0.03 4.12 -0.17 1.61 1.81 -1.18 -4.68 118.95 120.43 2yro s ARG 31 Ca 0.00 1.15 -0.02 0.00 -1.72 0.00 0.00 55.73 55.14 2yro s ARG 31 Cb 0.00 -2.16 0.05 0.00 -0.45 0.00 0.00 34.95 32.39 2yro s ARG 31 CO 0.00 -0.13 0.01 0.99 -0.68 0.00 0.00 175.30 175.49 2yro s THR 32 N -2.19 0.63 -0.24 0.02 2.01 -1.15 -2.74 115.64 111.98 2yro s THR 32 Ca 0.63 -0.49 -0.07 0.00 0.31 0.00 0.00 61.69 62.07 2yro s THR 32 Cb -0.10 -1.03 -0.02 0.00 0.01 0.00 0.00 72.50 71.36 2yro s THR 32 CO 0.16 -0.09 0.04 -0.69 -0.69 0.00 0.00 174.62 173.36 2yro s VAL 33 N 1.82 4.10 -0.07 3.82 1.01 -0.24 -1.37 120.40 129.48 2yro s VAL 33 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 2yro s VAL 33 Cb -0.16 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 2yro s VAL 33 CO -0.07 0.36 -0.01 0.68 0.00 0.00 0.00 175.10 176.06 2yro s VAL 34 N 1.58 4.20 -0.37 2.92 -7.23 0.89 -0.18 120.40 122.21 2yro s VAL 34 Ca 0.06 -0.34 -0.05 0.00 -1.81 0.00 0.00 61.98 59.84 2yro s VAL 34 Cb -0.15 -2.78 0.07 0.00 0.56 0.00 0.00 36.38 34.08 2yro s VAL 34 CO 0.02 0.56 0.15 -0.69 -0.31 0.00 0.00 175.10 174.83 2yro s VAL 35 N -0.91 3.62 -0.26 1.32 1.01 0.92 -2.19 120.40 123.90 2yro s VAL 35 Ca 0.14 -1.47 -0.13 0.00 0.00 0.00 0.00 61.98 60.52 2yro s VAL 35 Cb -0.11 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2yro s VAL 35 CO 0.04 -0.37 0.30 -0.54 0.00 0.00 0.00 175.10 174.52 2yro s LYS 36 N 1.32 4.01 0.00 2.72 1.02 -1.17 -2.34 119.74 125.30 2yro s LYS 36 Ca 0.01 -0.09 0.00 0.00 0.02 0.00 0.00 55.97 55.91 2yro s LYS 36 Cb -0.21 -3.64 0.00 0.00 -0.52 0.00 0.00 37.83 33.46 2yro s LYS 36 CO 0.00 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.65 2yro n GLY 37 N 4.70 2.41 3.28 -3.33 0.00 -1.21 -2.29 105.19 108.75 2yro n GLY 37 Ca -0.11 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.34 0.44 0.20 1.61 2.02 -0.44 -3.23 118.70 118.96 2yro s GLU 38 Ca 0.00 0.66 -0.25 0.00 0.02 0.00 0.00 54.97 55.40 2yro s GLU 38 Cb 0.00 0.12 -0.08 0.00 0.10 0.00 0.00 34.13 34.26 2yro s GLU 38 CO 0.00 -0.10 0.81 0.08 0.02 0.00 0.00 175.26 176.07 2yro s VAL 39 N 0.74 4.34 0.47 2.63 1.01 -0.25 -0.54 120.40 128.80 2yro s VAL 39 Ca -0.04 1.71 -0.20 0.00 0.00 0.00 0.00 61.98 63.45 2yro s VAL 39 Cb -0.05 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 2yro s VAL 39 CO -0.05 0.44 0.99 0.20 0.00 0.00 0.00 175.10 176.67 2yro s ASN 40 N -1.27 6.65 0.23 3.32 0.01 -1.25 0.40 114.94 123.03 2yro s ASN 40 Ca 0.39 1.74 -0.06 0.00 -0.71 0.00 0.00 52.86 54.22 2yro s ASN 40 Cb -0.22 -2.54 0.35 0.00 0.41 0.00 0.00 41.25 39.25 2yro s ASN 40 CO 0.26 -0.56 1.80 0.00 -1.51 0.00 0.00 177.10 177.09 2yro h ALA 41 N 1.53 1.08 -0.90 0.60 0.00 -1.93 -1.23 119.26 118.42 2yro h ALA 41 Ca -0.49 0.03 -0.50 0.00 0.00 0.00 0.00 54.91 53.95 2yro h ALA 41 Cb 1.19 -0.11 -0.28 0.00 0.00 0.00 0.00 17.79 18.60 2yro h ALA 41 CO 0.60 0.05 0.55 -1.71 0.00 0.00 0.00 179.25 178.75 2yro n ASN 42 N -4.78 4.42 -4.64 0.00 5.15 -1.26 -4.69 115.26 109.47 2yro n ASN 42 Ca 0.12 -3.68 -0.43 0.00 -0.60 0.00 0.00 54.58 49.99 2yro n ASN 42 Cb 0.26 -0.82 -0.02 0.00 -0.53 0.00 0.00 39.78 38.66 2yro n ASN 42 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2yro s ALA 43 N -3.41 3.46 0.02 5.20 0.00 -0.48 -4.94 121.76 121.61 2yro s ALA 43 Ca 0.57 0.11 -0.27 0.00 0.00 0.00 0.00 51.96 52.37 2yro s ALA 43 Cb 0.47 -3.71 -0.16 0.00 0.00 0.00 0.00 23.12 19.72 2yro s ALA 43 CO 0.07 -1.57 1.20 -0.22 0.00 0.00 0.00 175.76 175.24 2yro h LYS 44 N 8.69 -0.72 -1.22 0.00 3.11 -1.89 -3.47 116.57 121.07 2yro h LYS 44 Ca -0.24 0.05 0.20 0.00 -2.81 0.00 0.00 60.65 57.85 2yro h LYS 44 Cb 1.09 0.16 -0.26 0.00 -1.00 0.00 0.00 32.23 32.22 2yro h LYS 44 CO 1.02 -0.41 0.83 -1.54 -2.81 0.00 0.00 179.45 176.55 2yro s SER 45 N -4.69 -0.13 0.50 4.20 1.04 -1.26 -3.61 113.70 109.75 2yro s SER 45 Ca -0.14 0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.44 2yro s SER 45 Cb 0.02 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 2yro s SER 45 CO 0.49 -0.13 0.02 0.72 0.98 0.00 0.00 173.24 175.31 2yro s PHE 46 N -1.12 1.93 0.06 5.02 -0.71 -1.26 -2.33 117.98 119.58 2yro s PHE 46 Ca 0.06 -0.92 -0.26 0.00 -1.04 0.00 0.00 56.93 54.77 2yro s PHE 46 Cb -0.01 -1.64 0.09 0.00 -1.21 0.00 0.00 43.02 40.25 2yro s PHE 46 CO -0.05 0.24 0.74 0.54 -1.34 0.00 0.00 175.22 175.34 2yro s ASN 47 N -3.87 -0.49 -0.19 1.98 4.22 -0.04 -3.07 114.94 113.48 2yro s ASN 47 Ca 0.10 0.08 -0.03 0.00 -2.14 0.00 0.00 52.86 50.87 2yro s ASN 47 Cb 0.02 0.50 0.06 0.00 1.28 0.00 0.00 41.25 43.11 2yro s ASN 47 CO 0.05 -0.77 0.03 -0.69 -2.04 0.00 0.00 177.10 173.68 2yro s VAL 48 N -3.16 0.53 -0.45 3.54 1.01 -0.88 -2.30 120.40 118.70 2yro s VAL 48 Ca 0.01 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 2yro s VAL 48 Cb -0.01 -1.03 0.04 0.00 0.00 0.00 0.00 36.38 35.38 2yro s VAL 48 CO -0.09 -0.20 0.45 -1.81 0.00 0.00 0.00 175.10 173.45 2yro s ASP 49 N 1.86 6.18 -0.42 3.32 1.11 -0.23 -3.03 116.67 125.45 2yro s ASP 49 Ca -0.01 -0.91 -0.13 0.00 0.18 0.00 0.00 52.55 51.68 2yro s ASP 49 Cb -0.17 -2.22 0.05 0.00 1.07 0.00 0.00 42.92 41.65 2yro s ASP 49 CO -0.08 -0.64 0.30 -0.22 1.18 0.00 0.00 175.17 175.71 2yro s LEU 50 N 2.05 5.19 0.44 1.23 2.96 -0.91 -1.68 118.68 127.96 2yro s LEU 50 Ca 0.10 -1.20 0.03 0.00 -0.22 0.00 0.00 54.13 52.84 2yro s LEU 50 Cb -0.19 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 2yro s LEU 50 CO 0.11 -0.52 0.05 -1.48 -1.32 0.00 0.00 176.35 173.19 2yro s LEU 51 N 1.58 2.30 -0.07 -0.68 0.05 -1.24 -0.39 118.68 120.23 2yro s LEU 51 Ca 0.03 -1.57 -0.00 0.00 0.05 0.00 0.00 54.13 52.64 2yro s LEU 51 Cb -0.22 -0.54 -0.03 0.00 -2.05 0.00 0.00 46.19 43.35 2yro s LEU 51 CO 0.06 -0.77 -0.03 0.00 -0.55 0.00 0.00 176.35 175.06 2yro s ALA 52 N -3.00 3.14 -1.16 1.48 0.00 -0.97 -3.03 121.76 118.22 2yro s ALA 52 Ca 0.20 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.30 2yro s ALA 52 Cb 0.04 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.82 2yro s ALA 52 CO 0.10 0.59 0.55 0.41 0.00 0.00 0.00 175.76 177.41 2yro n GLY 53 N 2.11 1.03 0.15 0.00 0.00 -1.26 -1.87 105.19 105.35 2yro n GLY 53 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.06 0.51 -0.55 1.61 5.02 -1.26 -4.74 118.16 118.70 2yro n LYS 54 Ca 0.00 0.21 0.07 0.00 -2.02 0.00 0.00 58.31 56.56 2yro n LYS 54 Cb 0.20 -1.39 0.17 0.00 -0.02 0.00 0.00 35.03 33.99 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 -4.36 1.76 -3.97 4.39 7.64 -1.24 -4.98 113.62 112.85 2yro n SER 55 Ca -0.21 -3.53 -0.29 0.00 1.01 0.00 0.00 58.87 55.84 2yro n SER 55 Cb 0.57 -0.48 -0.07 0.00 -1.01 0.00 0.00 64.21 63.22 2yro n SER 55 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2yro n LYS 56 N -1.04 -0.88 -4.14 1.43 4.01 -0.78 -4.88 118.16 111.88 2yro n LYS 56 Ca 0.17 0.09 -0.34 0.00 -0.51 0.00 0.00 58.31 57.71 2yro n LYS 56 Cb 0.71 -3.26 -0.13 0.00 -0.51 0.00 0.00 35.03 31.84 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 -3.61 4.43 -0.17 4.39 1.01 -1.25 -4.88 116.67 116.59 2yro s ASP 57 Ca 0.27 -0.31 -0.29 0.00 0.71 0.00 0.00 52.55 52.93 2yro s ASP 57 Cb -0.16 -1.74 -0.02 0.00 1.01 0.00 0.00 42.92 42.01 2yro s ASP 57 CO 0.82 0.05 1.45 -0.63 0.21 0.00 0.00 175.17 177.06 2yro s ILE 58 N 1.06 3.95 -0.06 0.77 1.01 -0.97 -2.28 121.20 124.68 2yro s ILE 58 Ca 0.01 1.13 -0.24 0.00 0.00 0.00 0.00 60.65 61.55 2yro s ILE 58 Cb -0.15 -3.82 -0.27 0.00 0.01 0.00 0.00 42.46 38.23 2yro s ILE 58 CO 0.00 -0.21 0.92 0.00 0.00 0.00 0.00 174.94 175.65 2yro h ALA 59 N 9.28 -0.02 -3.56 9.38 0.00 -1.00 -3.11 119.26 130.22 2yro h ALA 59 Ca -0.31 -0.58 -0.30 0.00 0.00 0.00 0.00 54.91 53.72 2yro h ALA 59 Cb 1.13 0.05 -0.33 0.00 0.00 0.00 0.00 17.79 18.64 2yro h ALA 59 CO 0.98 0.22 -0.73 -1.17 0.00 0.00 0.00 179.25 178.55 2yro s LEU 60 N -8.16 1.26 -0.26 0.00 2.96 -1.12 -4.35 118.68 109.01 2yro s LEU 60 Ca -0.15 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 2yro s LEU 60 Cb 0.00 -0.09 0.07 0.00 0.50 0.00 0.00 46.19 46.68 2yro s LEU 60 CO 0.78 -0.10 0.01 -2.28 -1.32 0.00 0.00 176.35 173.44 2yro s HIS 61 N 0.87 2.23 -0.31 5.38 5.65 0.27 -2.13 115.29 127.24 2yro s HIS 61 Ca -0.07 -1.80 0.00 0.00 0.25 0.00 0.00 55.06 53.44 2yro s HIS 61 Cb -0.11 -1.72 0.07 0.00 -1.18 0.00 0.00 32.58 29.64 2yro s HIS 61 CO -0.02 -0.80 0.01 -0.51 -0.65 0.00 0.00 174.74 172.76 2yro s LEU 62 N 1.44 4.10 -0.37 8.88 1.43 -1.17 -0.92 118.68 132.07 2yro s LEU 62 Ca 0.01 -1.54 0.03 0.00 -1.03 0.00 0.00 54.13 51.60 2yro s LEU 62 Cb -0.18 -1.67 0.11 0.00 0.03 0.00 0.00 46.19 44.47 2yro s LEU 62 CO -0.11 -0.30 0.10 0.21 0.23 0.00 0.00 176.35 176.48 2yro s ASN 63 N 1.24 4.78 1.10 2.29 3.04 -0.35 -2.07 114.94 124.97 2yro s ASN 63 Ca -0.02 -2.25 -0.15 0.00 0.04 0.00 0.00 52.86 50.47 2yro s ASN 63 Cb -0.20 -1.66 0.24 0.00 -1.54 0.00 0.00 41.25 38.09 2yro s ASN 63 CO -0.04 -0.38 1.10 -2.16 -3.04 0.00 0.00 177.10 172.58 2yro s PRO 64 N 0.78 -0.37 -0.12 0.43 0.04 -1.18 -3.04 135.00 131.55 2yro s PRO 64 Ca 0.11 0.24 -0.07 0.00 0.04 0.00 0.00 61.00 61.32 2yro s PRO 64 Cb -0.20 -1.67 0.04 0.00 0.04 0.00 0.00 34.50 32.71 2yro s PRO 64 CO -0.07 -3.21 0.29 1.03 0.04 0.00 0.00 177.00 175.08 2yro s ARG 65 N -5.16 0.28 -0.21 4.56 0.52 -0.80 -4.21 118.95 113.92 2yro s ARG 65 Ca 0.68 0.53 -0.06 0.00 -0.52 0.00 0.00 55.73 56.36 2yro s ARG 65 Cb -0.15 -0.02 -0.20 0.00 0.52 0.00 0.00 34.95 35.11 2yro s ARG 65 CO 0.57 -0.12 -0.00 1.28 0.02 0.00 0.00 175.30 177.04 2yro n LEU 66 N 3.82 2.61 -0.01 2.53 4.77 -1.24 -2.55 117.00 126.93 2yro n LEU 66 Ca -0.21 0.10 -0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2yro n LEU 66 Cb 0.55 -0.97 -0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2yro n LEU 66 CO 0.14 0.79 0.50 -1.13 -1.33 0.00 0.00 177.39 176.36 2yro h ASN 67 N -0.22 -0.04 0.64 -1.43 -1.24 -1.92 -1.97 115.58 109.40 2yro h ASN 67 Ca -0.52 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.49 2yro h ASN 67 Cb 1.84 0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.91 2yro h ASN 67 CO -0.09 -0.01 -0.52 2.30 -1.29 0.00 0.00 177.43 177.82 2yro n ILE 68 N -3.01 0.11 -3.07 2.57 -0.00 -1.26 -4.96 119.36 109.74 2yro n ILE 68 Ca 0.00 -0.09 -0.13 0.00 -0.00 0.00 0.00 62.75 62.53 2yro n ILE 68 Cb 0.01 0.08 0.05 0.00 -0.00 0.00 0.00 39.64 39.78 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 -1.70 -4.43 -4.87 6.28 4.76 -0.74 -5.03 118.16 112.43 2yro n LYS 69 Ca 0.05 0.48 -0.33 0.00 -2.87 0.00 0.00 58.31 55.64 2yro n LYS 69 Cb 0.37 -4.43 -0.14 0.00 -1.84 0.00 0.00 35.03 28.99 2yro n LYS 69 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2yro s ALA 70 N -3.19 2.62 -0.19 7.82 0.00 -1.06 -4.77 121.76 122.99 2yro s ALA 70 Ca 0.27 -0.95 -0.15 0.00 0.00 0.00 0.00 51.96 51.14 2yro s ALA 70 Cb -0.12 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 2yro s ALA 70 CO 0.42 0.43 0.35 0.12 0.00 0.00 0.00 175.76 177.08 2yro s PHE 71 N -0.28 3.40 -0.19 0.00 2.19 -1.26 -1.91 117.98 119.93 2yro s PHE 71 Ca 0.02 0.58 -0.03 0.00 0.33 0.00 0.00 56.93 57.83 2yro s PHE 71 Cb -0.13 -2.45 -0.01 0.00 -1.31 0.00 0.00 43.02 39.12 2yro s PHE 71 CO 0.03 0.07 -0.07 0.08 1.83 0.00 0.00 175.22 177.15 2yro s VAL 72 N 1.04 3.26 -0.04 3.12 1.01 -1.17 -4.01 120.40 123.61 2yro s VAL 72 Ca 0.18 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.63 2yro s VAL 72 Cb -0.14 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.80 2yro s VAL 72 CO 0.07 0.46 -0.12 0.00 0.00 0.00 0.00 175.10 175.51 2yro s ARG 73 N 1.07 1.34 0.06 2.72 1.70 -1.26 -1.22 118.95 123.37 2yro s ARG 73 Ca 0.01 -0.41 -0.26 0.00 -0.47 0.00 0.00 55.73 54.60 2yro s ARG 73 Cb -0.15 -1.19 0.09 0.00 -0.57 0.00 0.00 34.95 33.13 2yro s ARG 73 CO -0.01 0.13 1.18 -1.71 -1.08 0.00 0.00 175.30 173.81 2yro n ASN 74 N 3.38 -1.42 -4.10 -2.89 5.15 -0.10 -3.87 115.26 111.41 2yro n ASN 74 Ca -0.19 -1.52 -0.11 0.00 -0.60 0.00 0.00 54.58 52.15 2yro n ASN 74 Cb 0.53 2.26 -0.11 0.00 -0.53 0.00 0.00 39.78 41.94 2yro n ASN 74 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2yro s SER 75 N -3.68 0.91 -0.33 1.20 0.15 -1.26 0.93 113.70 111.62 2yro s SER 75 Ca 0.27 -0.76 0.04 0.00 0.70 0.00 0.00 55.95 56.20 2yro s SER 75 Cb -0.02 0.07 0.10 0.00 -1.71 0.00 0.00 66.02 64.47 2yro s SER 75 CO 0.02 -0.34 0.04 0.12 1.20 0.00 0.00 173.24 174.27 2yro s PHE 76 N -2.47 3.70 0.06 3.44 5.36 -1.18 -2.93 117.98 123.96 2yro s PHE 76 Ca -0.00 -2.93 0.09 0.00 -0.96 0.00 0.00 56.93 53.13 2yro s PHE 76 Cb -0.03 -2.82 -0.03 0.00 -0.34 0.00 0.00 43.02 39.80 2yro s PHE 76 CO -0.02 -0.94 -0.25 -0.51 -1.46 0.00 0.00 175.22 172.04 2yro s LEU 77 N 0.93 2.29 -1.63 6.12 1.43 -0.61 -2.29 118.68 124.92 2yro s LEU 77 Ca 0.09 -0.58 -0.13 0.00 -1.03 0.00 0.00 54.13 52.48 2yro s LEU 77 Cb -0.19 -1.33 0.11 0.00 0.03 0.00 0.00 46.19 44.81 2yro s LEU 77 CO -0.08 0.25 0.65 0.00 0.23 0.00 0.00 176.35 177.39 2yro n GLN 78 N 1.59 -3.02 -3.91 1.70 6.02 -1.26 0.22 117.38 118.72 2yro n GLN 78 Ca -0.17 0.36 -0.30 0.00 -0.01 0.00 0.00 57.00 56.88 2yro n GLN 78 Cb 0.52 -4.86 0.03 0.00 1.02 0.00 0.00 30.24 26.95 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 -4.40 -5.57 -3.80 -1.09 1.02 -1.26 -4.97 120.64 100.58 2yro n GLU 79 Ca -0.04 0.60 -0.13 0.00 -0.02 0.00 0.00 57.16 57.57 2yro n GLU 79 Cb 0.55 -5.49 -0.13 0.00 -0.02 0.00 0.00 31.44 26.34 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 -3.33 -0.13 -0.05 1.62 0.01 0.13 -5.15 113.70 106.81 2yro s SER 80 Ca 0.65 0.28 -0.14 0.00 1.31 0.00 0.00 55.95 58.06 2yro s SER 80 Cb -0.33 0.24 -0.05 0.00 0.21 0.00 0.00 66.02 66.09 2yro s SER 80 CO 0.83 -0.09 0.37 0.26 0.41 0.00 0.00 173.24 175.02 2yro s TRP 81 N 0.49 3.65 0.00 2.43 0.52 -1.26 -1.57 118.94 123.20 2yro s TRP 81 Ca -0.03 0.87 0.00 0.00 0.02 0.00 0.00 56.10 56.95 2yro s TRP 81 Cb -0.05 -2.28 0.00 0.00 -1.15 0.00 0.00 33.47 29.99 2yro s TRP 81 CO -0.02 0.55 0.00 0.41 0.02 0.00 0.00 176.95 177.90 2yro n GLY 82 N 2.22 0.38 3.29 0.98 0.00 -1.15 -5.02 105.19 105.89 2yro n GLY 82 Ca -0.14 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 2yro n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yro s GLU 83 N 0.00 3.29 -0.19 1.61 8.01 -1.26 -5.02 118.70 125.13 2yro s GLU 83 Ca 0.00 -0.70 -0.18 0.00 0.01 0.00 0.00 54.97 54.10 2yro s GLU 83 Cb 0.00 -2.74 -0.04 0.00 -4.31 0.00 0.00 34.13 27.05 2yro s GLU 83 CO 0.00 -0.02 0.48 -1.21 0.01 0.00 0.00 175.26 174.52 2yro s GLU 84 N 0.93 4.19 -0.71 1.61 2.02 -1.26 -4.76 118.70 120.73 2yro s GLU 84 Ca -0.02 0.35 -0.05 0.00 0.02 0.00 0.00 54.97 55.26 2yro s GLU 84 Cb -0.15 -3.55 0.18 0.00 0.10 0.00 0.00 34.13 30.72 2yro s GLU 84 CO -0.01 -0.09 0.56 -1.21 0.02 0.00 0.00 175.26 174.53 2yro s GLU 85 N 1.46 2.91 -0.92 1.61 0.41 -1.25 -5.01 118.70 117.91 2yro s GLU 85 Ca 0.22 -2.63 -0.21 0.00 -0.41 0.00 0.00 54.97 51.95 2yro s GLU 85 Cb -0.15 -3.93 0.10 0.00 -1.78 0.00 0.00 34.13 28.37 2yro s GLU 85 CO 0.09 -1.21 1.20 0.50 -0.49 0.00 0.00 175.26 175.35 2yro s ARG 86 N -0.21 3.52 -0.30 1.61 3.52 -1.26 -4.55 118.95 121.28 2yro s ARG 86 Ca 0.19 -1.41 -0.16 0.00 -0.13 0.00 0.00 55.73 54.22 2yro s ARG 86 Cb -0.16 -4.93 0.17 0.00 -1.56 0.00 0.00 34.95 28.46 2yro s ARG 86 CO -0.06 -1.92 1.04 1.21 -0.81 0.00 0.00 175.30 174.77 2yro s ASN 87 N 4.03 -0.48 0.23 -2.12 2.47 -1.26 -4.94 114.94 112.87 2yro s ASN 87 Ca 0.35 0.67 -0.01 0.00 0.42 0.00 0.00 52.86 54.30 2yro s ASN 87 Cb -0.05 1.52 -0.03 0.00 -1.45 0.00 0.00 41.25 41.24 2yro s ASN 87 CO -0.06 -0.09 0.20 0.27 -3.72 0.00 0.00 177.10 173.69 2yro s ILE 88 N 2.28 0.00 -0.10 -5.21 -4.36 -1.26 -4.95 121.20 107.61 2yro s ILE 88 Ca -0.03 -1.93 -0.18 0.00 -0.26 0.00 0.00 60.65 58.25 2yro s ILE 88 Cb -0.05 -2.48 -0.28 0.00 1.25 0.00 0.00 42.46 40.91 2yro s ILE 88 CO -0.17 0.00 0.63 0.74 0.24 0.00 0.00 174.94 176.38 2yro h THR 89 N 2.50 1.18 -3.41 8.37 2.02 -1.98 -3.49 112.91 118.10 2yro h THR 89 Ca -0.33 -2.42 -0.08 0.00 0.77 0.00 0.00 66.41 64.36 2yro h THR 89 Cb 1.25 2.84 -0.15 0.00 -1.74 0.00 0.00 68.15 70.34 2yro h THR 89 CO 0.48 0.68 -0.20 -0.44 0.37 0.00 0.00 175.52 176.41 2yro s SER 90 N -6.96 -0.12 -0.44 4.18 0.01 -1.26 -5.13 113.70 103.98 2yro s SER 90 Ca -0.19 -0.31 -0.06 0.00 1.31 0.00 0.00 55.95 56.70 2yro s SER 90 Cb 0.03 0.40 0.11 0.00 0.21 0.00 0.00 66.02 66.77 2yro s SER 90 CO 0.77 -0.72 0.27 0.12 0.41 0.00 0.00 173.24 174.08 2yro s PHE 91 N -3.24 3.49 0.25 2.43 5.36 -1.26 -4.94 117.98 120.07 2yro s PHE 91 Ca -0.00 -2.10 0.20 0.00 -0.96 0.00 0.00 56.93 54.07 2yro s PHE 91 Cb 0.01 -3.32 0.87 0.00 -0.34 0.00 0.00 43.02 40.24 2yro s PHE 91 CO -0.08 -0.97 1.83 -1.00 -1.46 0.00 0.00 175.22 173.54 2yro h PRO 92 N 8.26 0.00 -6.64 10.12 0.13 -1.98 -3.44 132.00 138.45 2yro h PRO 92 Ca -0.18 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.43 2yro h PRO 92 Cb 1.06 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.24 2yro h PRO 92 CO 0.78 0.31 0.85 -0.06 -0.23 0.00 0.00 178.00 179.64 2yro s PHE 93 N -3.83 3.05 -0.02 1.56 0.08 -1.26 -5.01 117.98 112.55 2yro s PHE 93 Ca -0.01 0.74 -0.07 0.00 0.12 0.00 0.00 56.93 57.71 2yro s PHE 93 Cb 0.12 -3.90 0.01 0.00 -0.57 0.00 0.00 43.02 38.68 2yro s PHE 93 CO 0.67 -3.21 0.14 -1.12 -0.10 0.00 0.00 175.22 171.60 2yro s SER 94 N 0.94 -0.04 -0.00 1.36 0.01 -1.26 -5.00 113.70 109.70 2yro s SER 94 Ca 0.67 -0.02 -0.30 0.00 1.31 0.00 0.00 55.95 57.61 2yro s SER 94 Cb -0.43 0.25 -0.06 0.00 0.21 0.00 0.00 66.02 65.99 2yro s SER 94 CO 0.35 -0.26 1.45 -2.16 0.41 0.00 0.00 173.24 173.03 2yro s PRO 95 N -0.86 4.26 0.00 12.44 0.04 -1.26 -3.29 135.00 146.33 2yro s PRO 95 Ca -0.09 2.02 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2yro s PRO 95 Cb -0.05 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.86 2yro s PRO 95 CO 0.01 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.83 2yro n GLY 96 N 3.73 0.94 3.15 0.56 0.00 0.16 -4.58 105.19 109.16 2yro n GLY 96 Ca 0.14 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.46 0.92 -0.36 1.61 0.23 -1.15 -4.94 119.30 111.15 2yro s MET 97 Ca 0.00 -1.43 -0.13 0.00 -1.03 0.00 0.00 55.69 53.10 2yro s MET 97 Cb 0.00 0.24 -0.00 0.00 -1.53 0.00 0.00 34.83 33.54 2yro s MET 97 CO 0.00 -0.26 0.24 -0.47 -2.03 0.00 0.00 175.02 172.50 2yro s TYR 98 N -4.05 3.23 0.02 3.16 6.14 -1.26 -1.09 117.35 123.50 2yro s TYR 98 Ca 0.24 -0.43 0.05 0.00 0.64 0.00 0.00 57.07 57.57 2yro s TYR 98 Cb 0.07 -2.49 -0.03 0.00 0.42 0.00 0.00 41.96 39.93 2yro s TYR 98 CO 0.02 -0.46 -0.12 -0.59 0.64 0.00 0.00 175.55 175.03 2yro s PHE 99 N 1.68 2.73 -0.19 4.97 -0.71 -1.20 -4.91 117.98 120.35 2yro s PHE 99 Ca 0.05 -0.14 0.00 0.00 -1.04 0.00 0.00 56.93 55.80 2yro s PHE 99 Cb -0.18 -1.54 0.04 0.00 -1.21 0.00 0.00 43.02 40.13 2yro s PHE 99 CO 0.10 0.31 -0.08 -2.00 -1.34 0.00 0.00 175.22 172.21 2yro s GLU 100 N -1.42 1.72 -0.32 1.99 2.12 -1.26 -3.31 118.70 118.21 2yro s GLU 100 Ca 0.16 -0.70 -0.14 0.00 0.36 0.00 0.00 54.97 54.64 2yro s GLU 100 Cb -0.11 -2.24 -0.02 0.00 0.26 0.00 0.00 34.13 32.02 2yro s GLU 100 CO 0.06 -0.44 0.34 1.41 -0.54 0.00 0.00 175.26 176.09 2yro s MET 101 N 1.51 3.71 -0.33 4.30 -2.45 -0.99 -1.00 119.30 124.05 2yro s MET 101 Ca -0.01 -0.32 -0.11 0.00 -1.25 0.00 0.00 55.69 54.01 2yro s MET 101 Cb -0.16 -3.75 -0.01 0.00 1.25 0.00 0.00 34.83 32.16 2yro s MET 101 CO -0.08 -0.42 0.19 0.42 1.05 0.00 0.00 175.02 176.18 2yro s ILE 102 N 1.98 4.82 -0.48 10.11 1.09 -0.20 -0.05 121.20 138.47 2yro s ILE 102 Ca 0.12 -0.42 -0.13 0.00 -1.10 0.00 0.00 60.65 59.12 2yro s ILE 102 Cb -0.16 -3.50 0.10 0.00 -1.06 0.00 0.00 42.46 37.84 2yro s ILE 102 CO 0.11 -0.00 0.38 -0.63 -0.10 0.00 0.00 174.94 174.70 2yro s ILE 103 N 1.64 4.75 -0.08 2.92 1.01 0.75 -2.67 121.20 129.53 2yro s ILE 103 Ca 0.05 -1.43 -0.00 0.00 0.00 0.00 0.00 60.65 59.26 2yro s ILE 103 Cb -0.17 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 2yro s ILE 103 CO 0.08 -0.69 -0.04 -0.47 0.00 0.00 0.00 174.94 173.82 2yro s TYR 104 N 1.51 3.03 -0.35 3.97 5.04 -1.24 -1.08 117.35 128.24 2yro s TYR 104 Ca 0.04 0.09 -0.05 0.00 -2.44 0.00 0.00 57.07 54.71 2yro s TYR 104 Cb -0.26 -1.75 0.05 0.00 0.35 0.00 0.00 41.96 40.36 2yro s TYR 104 CO 0.03 0.39 0.11 0.00 -1.34 0.00 0.00 175.55 174.74 2yro n ASP 106 N 4.76 5.35 -1.95 0.00 -0.08 -1.26 -0.29 116.55 123.08 2yro n ASP 106 Ca -0.11 -2.82 -0.17 0.00 -1.51 0.00 0.00 54.79 50.18 2yro n ASP 106 Cb 0.44 -0.66 -0.04 0.00 2.34 0.00 0.00 41.12 43.19 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 0.65 -0.39 0.00 5.18 0.31 -1.26 -4.67 118.33 118.14 2yro n VAL 107 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 2yro n VAL 107 Cb 1.11 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 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 -2.50 0.73 -3.60 5.55 5.12 -1.26 -5.08 116.66 115.61 2yro n ARG 108 Ca -0.18 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.70 2yro n ARG 108 Cb 0.60 -0.63 -0.02 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 0.54 -0.52 5.56 -1.05 -1.26 -3.79 118.70 116.92 2yro s GLU 109 Ca 0.00 -0.24 -0.21 0.00 -0.15 0.00 0.00 54.97 54.37 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 -0.24 0.76 -0.06 0.95 0.00 0.00 175.26 176.67 2yro s PHE 110 N -2.67 2.94 0.28 4.83 0.08 0.13 -4.06 117.98 119.51 2yro s PHE 110 Ca 0.10 -0.28 -0.06 0.00 0.12 0.00 0.00 56.93 56.80 2yro s PHE 110 Cb 0.00 -3.76 -0.06 0.00 -0.57 0.00 0.00 43.02 38.64 2yro s PHE 110 CO -0.05 -1.16 0.56 0.15 -0.10 0.00 0.00 175.22 174.62 2yro s LYS 111 N 3.21 3.67 -0.23 0.44 1.02 -1.21 -1.79 119.74 124.85 2yro s LYS 111 Ca 0.22 0.09 -0.04 0.00 0.02 0.00 0.00 55.97 56.26 2yro s LYS 111 Cb -0.16 -2.64 0.12 0.00 -0.52 0.00 0.00 37.83 34.64 2yro s LYS 111 CO 0.15 0.23 0.41 0.54 -0.92 0.00 0.00 175.35 175.77 2yro s VAL 112 N -2.04 -0.66 -0.01 3.17 0.11 -1.25 -3.64 120.40 116.10 2yro s VAL 112 Ca 0.45 0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.57 2yro s VAL 112 Cb -0.11 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 33.93 2yro s VAL 112 CO 0.28 -0.04 -0.14 0.00 -3.33 0.00 0.00 175.10 171.87 2yro s ALA 113 N 2.60 2.73 -0.16 1.54 0.00 -1.09 -3.74 121.76 123.64 2yro s ALA 113 Ca 0.08 -1.06 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 2yro s ALA 113 Cb -0.14 -0.93 -0.00 0.00 0.00 0.00 0.00 23.12 22.04 2yro s ALA 113 CO -0.15 0.58 -0.13 0.08 0.00 0.00 0.00 175.76 176.13 2yro s VAL 114 N -0.87 2.81 -1.24 0.00 1.01 -0.50 -1.04 120.40 120.57 2yro s VAL 114 Ca 0.14 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 2yro s VAL 114 Cb -0.11 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.08 2yro s VAL 114 CO 0.04 0.50 0.97 0.59 0.00 0.00 0.00 175.10 177.21 2yro n ASN 115 N 4.11 -5.89 -3.01 3.32 3.02 -0.17 -2.52 115.26 114.11 2yro n ASN 115 Ca -0.19 -0.44 -0.19 0.00 -0.03 0.00 0.00 54.58 53.73 2yro n ASN 115 Cb 0.52 -4.54 0.07 0.00 -0.61 0.00 0.00 39.78 35.21 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 -1.79 -0.26 3.18 7.41 0.00 -1.26 -5.00 105.19 107.48 2yro n GLY 116 Ca -0.01 0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.26 -0.38 0.21 1.61 1.01 -1.05 -5.14 120.40 113.41 2yro s VAL 117 Ca 0.42 0.18 -0.31 0.00 0.00 0.00 0.00 61.98 62.27 2yro s VAL 117 Cb -0.19 -0.57 -0.10 0.00 0.00 0.00 0.00 36.38 35.53 2yro s VAL 117 CO 0.59 0.07 1.49 -2.28 0.00 0.00 0.00 175.10 174.97 2yro s HIS 118 N 2.13 3.04 0.01 5.22 2.46 -1.26 -1.41 115.29 125.48 2yro s HIS 118 Ca -0.04 0.88 -0.01 0.00 0.47 0.00 0.00 55.06 56.36 2yro s HIS 118 Cb -0.11 -3.86 -0.00 0.00 -0.13 0.00 0.00 32.58 28.48 2yro s HIS 118 CO -0.11 -2.94 -0.03 0.43 -2.47 0.00 0.00 174.74 169.62 2yro n SER 119 N 2.99 0.38 -4.01 9.88 7.64 -1.25 -4.94 113.62 124.31 2yro n SER 119 Ca 0.10 0.05 -0.08 0.00 1.01 0.00 0.00 58.87 59.95 2yro n SER 119 Cb 0.40 -0.22 -0.09 0.00 -1.01 0.00 0.00 64.21 63.29 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 -5.63 1.92 0.31 -3.43 -0.00 -1.26 -4.99 118.68 105.59 2yro s LEU 120 Ca -0.02 -0.90 0.08 0.00 -0.00 0.00 0.00 54.13 53.29 2yro s LEU 120 Cb 0.00 0.57 -0.06 0.00 -0.00 0.00 0.00 46.19 46.70 2yro s LEU 120 CO 0.03 -0.68 -0.09 -1.61 -0.00 0.00 0.00 176.35 174.00 2yro s GLU 121 N -3.92 1.67 -0.25 1.48 2.02 -1.26 -3.76 118.70 114.68 2yro s GLU 121 Ca 0.09 -1.85 -0.02 0.00 0.02 0.00 0.00 54.97 53.22 2yro s GLU 121 Cb 0.07 -1.43 0.13 0.00 0.10 0.00 0.00 34.13 32.99 2yro s GLU 121 CO -0.08 0.10 0.35 -0.47 0.02 0.00 0.00 175.26 175.18 2yro s TYR 122 N -2.80 -0.73 0.43 1.61 5.04 -0.74 -5.02 117.35 115.14 2yro s TYR 122 Ca 0.31 0.55 -0.19 0.00 -2.44 0.00 0.00 57.07 55.30 2yro s TYR 122 Cb 0.03 -0.12 -0.15 0.00 0.35 0.00 0.00 41.96 42.07 2yro s TYR 122 CO 0.14 -0.77 -0.01 1.63 -1.34 0.00 0.00 175.55 175.21 2yro n LYS 123 N 5.35 0.00 -1.66 4.97 5.02 -1.26 0.22 118.16 130.80 2yro n LYS 123 Ca -0.03 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.10 2yro n LYS 123 Cb 0.49 -0.96 -0.09 0.00 -0.02 0.00 0.00 35.03 34.45 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 -1.76 1.29 0.21 2.13 3.76 -1.25 -4.35 115.29 115.32 2yro s HIS 124 Ca 0.56 1.94 -0.10 0.00 -0.15 0.00 0.00 55.06 57.31 2yro s HIS 124 Cb -0.55 -3.47 0.19 0.00 1.11 0.00 0.00 32.58 29.86 2yro s HIS 124 CO 0.62 -1.11 1.86 -0.09 -0.85 0.00 0.00 174.74 175.16 2yro h ARG 125 N 11.83 0.88 -6.04 1.40 2.43 -1.85 -3.40 114.38 119.64 2yro h ARG 125 Ca 0.03 -0.05 -0.57 0.00 -0.81 0.00 0.00 59.98 58.57 2yro h ARG 125 Cb 0.99 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 30.28 2yro h ARG 125 CO 1.04 0.59 0.47 0.12 -1.51 0.00 0.00 179.97 180.67 2yro s PHE 126 N -6.12 3.44 0.00 2.20 5.36 -1.26 -4.97 117.98 116.63 2yro s PHE 126 Ca -0.13 1.36 -0.24 0.00 -0.96 0.00 0.00 56.93 56.96 2yro s PHE 126 Cb 0.15 -3.08 -0.14 0.00 -0.34 0.00 0.00 43.02 39.62 2yro s PHE 126 CO 0.77 -0.25 1.01 0.87 -1.46 0.00 0.00 175.22 176.16 2yro h LYS 127 N 7.27 -0.85 -5.99 10.12 1.79 -1.99 -3.40 116.57 123.53 2yro h LYS 127 Ca -0.29 0.06 -0.50 0.00 -2.18 0.00 0.00 60.65 57.74 2yro h LYS 127 Cb 1.13 0.19 -0.04 0.00 -1.58 0.00 0.00 32.23 31.94 2yro h LYS 127 CO 0.85 -0.56 1.34 -2.00 -1.08 0.00 0.00 179.45 178.00 2yro s GLU 128 N -4.41 2.65 0.09 3.15 2.56 -1.26 -4.80 118.70 116.67 2yro s GLU 128 Ca -0.13 0.57 0.06 0.00 0.00 0.00 0.00 54.97 55.47 2yro s GLU 128 Cb 0.01 -4.39 -0.22 0.00 2.00 0.00 0.00 34.13 31.53 2yro s GLU 128 CO 0.39 -2.72 1.17 -0.07 -0.56 0.00 0.00 175.26 173.47 2yro h LEU 129 N 16.31 0.06 -1.78 2.70 3.38 -1.91 -3.25 115.31 130.83 2yro h LEU 129 Ca -0.26 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 2yro h LEU 129 Cb 1.16 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2yro h LEU 129 CO 1.22 1.06 0.04 -1.20 0.09 0.00 0.00 178.44 179.65 2yro n SER 130 N -3.34 2.31 -0.08 -0.43 7.64 -1.25 -3.50 113.62 114.97 2yro n SER 130 Ca -0.04 -2.19 -0.11 0.00 1.01 0.00 0.00 58.87 57.54 2yro n SER 130 Cb 0.97 -0.54 -0.09 0.00 -1.01 0.00 0.00 64.21 63.54 2yro n SER 130 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yro n SER 131 N 0.16 2.34 -4.52 6.43 7.64 -1.23 -4.82 113.62 119.62 2yro n SER 131 Ca 0.06 -0.07 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 2yro n SER 131 Cb 0.52 0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.68 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 -2.88 0.05 -0.02 0.44 5.41 -1.23 -4.22 119.36 116.91 2yro n ILE 132 Ca -0.29 -0.47 -0.02 0.00 1.00 0.00 0.00 62.75 62.97 2yro n ILE 132 Cb 0.87 -2.05 -0.02 0.00 -0.71 0.00 0.00 39.64 37.73 2yro n ILE 132 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2yro n ASP 133 N 12.82 4.02 -4.90 4.38 2.03 -1.25 -1.15 116.55 132.50 2yro n ASP 133 Ca 0.43 -0.01 -0.31 0.00 0.52 0.00 0.00 54.79 55.42 2yro n ASP 133 Cb 0.36 0.22 -0.05 0.00 -0.72 0.00 0.00 41.12 40.94 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 -2.07 5.11 -0.23 5.18 2.01 -1.17 -0.84 115.64 123.64 2yro s THR 134 Ca -0.03 0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.01 2yro s THR 134 Cb 0.01 -3.64 0.08 0.00 0.01 0.00 0.00 72.50 68.96 2yro s THR 134 CO 0.09 -0.03 0.10 -0.22 -0.69 0.00 0.00 174.62 173.87 2yro s LEU 135 N -2.82 0.56 -0.15 4.42 2.96 -0.75 -3.61 118.68 119.30 2yro s LEU 135 Ca 0.42 -0.94 -0.06 0.00 -0.22 0.00 0.00 54.13 53.33 2yro s LEU 135 Cb -0.12 -0.34 -0.04 0.00 0.50 0.00 0.00 46.19 46.20 2yro s LEU 135 CO 0.25 -0.39 0.07 -1.61 -1.32 0.00 0.00 176.35 173.35 2yro s GLU 136 N 2.08 3.66 -0.01 1.98 2.02 -0.68 -3.21 118.70 124.53 2yro s GLU 136 Ca 0.05 -0.30 0.01 0.00 0.02 0.00 0.00 54.97 54.74 2yro s GLU 136 Cb -0.16 -3.13 0.01 0.00 0.10 0.00 0.00 34.13 30.95 2yro s GLU 136 CO -0.21 0.48 -0.03 0.42 0.02 0.00 0.00 175.26 175.94 2yro s ILE 137 N -0.21 0.28 0.15 -1.63 1.01 -0.45 -1.07 121.20 119.28 2yro s ILE 137 Ca 0.08 -0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.53 2yro s ILE 137 Cb -0.12 -0.29 0.01 0.00 0.01 0.00 0.00 42.46 42.07 2yro s ILE 137 CO 0.01 0.11 0.32 0.21 0.00 0.00 0.00 174.94 175.60 2yro s ASN 138 N 0.33 -0.04 0.00 3.58 3.84 -0.97 0.42 114.94 122.10 2yro s ASN 138 Ca -0.03 -0.67 0.00 0.00 0.21 0.00 0.00 52.86 52.37 2yro s ASN 138 Cb -0.06 0.45 0.00 0.00 -0.55 0.00 0.00 41.25 41.08 2yro s ASN 138 CO -0.01 -0.88 0.00 0.61 -2.79 0.00 0.00 177.10 174.04 2yro n GLY 139 N -0.20 -0.44 2.04 1.21 0.00 -1.26 -0.86 105.19 105.68 2yro n GLY 139 Ca -0.11 -1.66 -0.23 0.00 0.00 0.00 0.00 46.02 44.02 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 3.00 6.21 -4.56 1.61 8.00 -0.98 -4.92 116.55 124.91 2yro n ASP 140 Ca 0.00 -3.33 -0.25 0.00 0.71 0.00 0.00 54.79 51.92 2yro n ASP 140 Cb 0.00 -0.96 -0.10 0.00 -0.02 0.00 0.00 41.12 40.05 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 -3.18 2.49 -0.37 0.53 -5.25 -1.26 -3.90 121.20 110.26 2yro s ILE 141 Ca 0.45 -2.16 -0.12 0.00 -0.99 0.00 0.00 60.65 57.83 2yro s ILE 141 Cb 0.36 -2.63 0.02 0.00 2.95 0.00 0.00 42.46 43.16 2yro s ILE 141 CO 0.01 -0.26 0.22 -2.28 -1.79 0.00 0.00 174.94 170.85 2yro s HIS 142 N -2.54 3.23 0.14 1.37 5.65 0.30 -4.96 115.29 118.48 2yro s HIS 142 Ca 0.33 -0.76 -0.30 0.00 0.25 0.00 0.00 55.06 54.57 2yro s HIS 142 Cb -0.01 -2.46 -0.07 0.00 -1.18 0.00 0.00 32.58 28.87 2yro s HIS 142 CO 0.17 -0.58 1.01 -1.17 -0.65 0.00 0.00 174.74 173.52 2yro s LEU 143 N 1.60 4.50 -0.21 8.88 2.96 -1.26 -1.33 118.68 133.83 2yro s LEU 143 Ca 0.03 1.91 -0.16 0.00 -0.22 0.00 0.00 54.13 55.69 2yro s LEU 143 Cb -0.19 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 42.83 2yro s LEU 143 CO 0.08 -0.12 -0.35 0.18 -1.32 0.00 0.00 176.35 174.82 2yro n LEU 144 N 2.60 1.93 -3.57 -0.68 4.77 -0.97 -3.30 117.00 117.79 2yro n LEU 144 Ca 0.02 0.33 -0.06 0.00 -0.03 0.00 0.00 56.01 56.27 2yro n LEU 144 Cb 0.48 -0.76 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 2yro n LEU 144 CO 0.52 0.01 0.90 -0.70 -1.33 0.00 0.00 177.39 176.79 2yro s GLU 145 N -2.77 0.46 -0.05 3.23 2.12 -1.12 -3.61 118.70 116.96 2yro s GLU 145 Ca -0.32 -0.09 -0.02 0.00 0.36 0.00 0.00 54.97 54.89 2yro s GLU 145 Cb 0.08 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.64 2yro s GLU 145 CO 0.45 -0.19 0.07 0.08 -0.54 0.00 0.00 175.26 175.13 2yro s VAL 146 N -2.18 4.74 0.02 3.70 1.01 -1.26 -3.04 120.40 123.38 2yro s VAL 146 Ca 0.06 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.83 2yro s VAL 146 Cb -0.01 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 2yro s VAL 146 CO -0.05 0.48 -0.10 -0.13 0.00 0.00 0.00 175.10 175.30 2yro s ARG 147 N -1.33 0.74 -0.25 2.72 1.81 -0.93 -5.03 118.95 116.68 2yro s ARG 147 Ca 0.18 -0.52 -0.02 0.00 -1.72 0.00 0.00 55.73 53.65 2yro s ARG 147 Cb -0.12 -0.69 0.13 0.00 -0.45 0.00 0.00 34.95 33.82 2yro s ARG 147 CO 0.08 0.18 0.35 -1.54 -0.68 0.00 0.00 175.30 173.69 2yro s SER 148 N -0.72 0.56 -0.01 0.23 1.04 -1.26 -0.07 113.70 113.47 2yro s SER 148 Ca 0.01 0.00 0.04 0.00 0.48 0.00 0.00 55.95 56.48 2yro s SER 148 Cb -0.06 0.95 -0.01 0.00 0.10 0.00 0.00 66.02 67.00 2yro s SER 148 CO 0.00 -0.32 -0.12 -1.66 0.98 0.00 0.00 173.24 172.12 2yro s TRP 149 N 2.50 1.10 -0.15 5.02 -2.14 -0.47 -4.94 118.94 119.86 2yro s TRP 149 Ca 0.11 -0.21 -0.06 0.00 2.66 0.00 0.00 56.10 58.60 2yro s TRP 149 Cb -0.15 -0.70 -0.07 0.00 -3.10 0.00 0.00 33.47 29.45 2yro s TRP 149 CO -0.18 -0.02 -0.18 -1.13 -2.66 0.00 0.00 176.95 172.78 2yro n SER 150 N 2.74 1.37 -1.31 -2.66 3.41 -1.26 -2.94 113.62 112.96 2yro n SER 150 Ca -0.14 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2yro n SER 150 Cb 0.56 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 2yro n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yro n GLY 151 N 2.22 -0.50 0.07 5.00 0.00 -1.26 -4.93 105.19 105.79 2yro n GLY 151 Ca -0.28 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 -0.05 -3.86 1.61 0.13 -1.99 -3.41 132.00 124.43 2yro h PRO 152 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 2yro h PRO 152 Cb 0.04 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 30.78 2yro h PRO 152 CO 0.00 0.42 -0.75 0.45 -0.23 0.00 0.00 178.00 177.90 2yro s SER 153 N -5.63 4.18 0.16 1.44 0.15 -1.26 -4.99 113.70 107.75 2yro s SER 153 Ca -0.16 -1.73 -0.13 0.00 0.70 0.00 0.00 55.95 54.63 2yro s SER 153 Cb 0.02 -1.06 0.05 0.00 -1.71 0.00 0.00 66.02 63.31 2yro s SER 153 CO 0.65 -0.40 1.72 0.77 1.20 0.00 0.00 173.24 177.18 2yro h SER 154 N 7.97 0.71 0.00 5.45 4.64 -2.00 -3.55 113.55 126.77 2yro h SER 154 Ca -0.11 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2yro h SER 154 Cb 1.02 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2yro h SER 154 CO 0.48 0.68 0.00 0.61 -0.87 0.00 0.00 176.83 177.73