#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 0.93 0.05 1.61 1.04 -1.26 -5.16 113.70 110.91 2yro s SER 2 Ca 0.00 -0.95 0.09 0.00 0.48 0.00 0.00 55.95 55.57 2yro s SER 2 Cb 0.00 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 2yro s SER 2 CO 0.00 -0.47 -0.24 -0.44 0.98 0.00 0.00 173.24 173.07 2yro s SER 3 N -2.83 3.36 0.00 7.02 0.01 -1.26 -5.14 113.70 114.86 2yro s SER 3 Ca 0.08 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.78 2yro s SER 3 Cb 0.04 -0.37 0.00 0.00 0.21 0.00 0.00 66.02 65.90 2yro s SER 3 CO -0.05 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.46 2yro n GLY 4 N 1.65 1.81 3.19 3.44 0.00 -1.26 -5.05 105.19 108.97 2yro n GLY 4 Ca -0.17 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 2yro n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yro s SER 5 N -1.00 5.84 0.05 1.61 0.15 -1.26 -4.95 113.70 114.15 2yro s SER 5 Ca 0.00 -2.74 -0.34 0.00 0.70 0.00 0.00 55.95 53.57 2yro s SER 5 Cb 0.00 -2.00 -0.19 0.00 -1.71 0.00 0.00 66.02 62.12 2yro s SER 5 CO 0.00 -0.46 1.49 0.28 1.20 0.00 0.00 173.24 175.74 2yro h SER 6 N 7.39 -1.04 -3.07 5.45 0.02 -2.06 -3.49 113.55 116.76 2yro h SER 6 Ca 0.02 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2yro h SER 6 Cb 0.99 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2yro h SER 6 CO 0.74 -0.73 -0.01 0.61 -1.14 0.00 0.00 176.83 176.30 2yro n GLY 7 N -1.55 -0.45 0.00 -3.77 0.00 -1.26 -4.91 105.19 93.25 2yro n GLY 7 Ca -0.15 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.78 2yro n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yro n PRO 8 N -0.85 0.49 -3.78 1.61 -0.04 -1.26 -4.18 135.00 126.99 2yro n PRO 8 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 2yro n PRO 8 Cb 0.34 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 2yro n PRO 8 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2yro s LYS 9 N -2.00 2.63 -0.07 0.54 1.02 -1.26 -5.05 119.74 115.55 2yro s LYS 9 Ca 0.17 -2.93 0.04 0.00 0.02 0.00 0.00 55.97 53.27 2yro s LYS 9 Cb 0.08 -3.65 0.00 0.00 -0.52 0.00 0.00 37.83 33.74 2yro s LYS 9 CO 0.13 -1.21 -0.19 -1.12 -0.92 0.00 0.00 175.35 172.04 2yro s SER 10 N -0.19 2.42 0.00 2.83 0.01 -1.26 -4.90 113.70 112.62 2yro s SER 10 Ca 0.21 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2yro s SER 10 Cb -0.14 -0.94 0.00 0.00 0.21 0.00 0.00 66.02 65.15 2yro s SER 10 CO -0.08 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.31 2yro n GLY 11 N 3.44 0.56 3.09 3.44 0.00 -1.26 -5.17 105.19 109.28 2yro n GLY 11 Ca -0.20 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 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 0.47 0.99 2.61 -4.23 -1.26 -5.16 115.64 109.05 2yro s THR 12 Ca 0.00 -1.47 -0.12 0.00 -1.18 0.00 0.00 61.69 58.92 2yro s THR 12 Cb 0.00 -1.08 0.18 0.00 1.34 0.00 0.00 72.50 72.95 2yro s THR 12 CO 0.00 -0.68 1.09 -2.16 -0.54 0.00 0.00 174.62 172.34 2yro s PRO 13 N -2.73 0.48 0.05 3.99 0.04 -1.26 -5.07 135.00 130.50 2yro s PRO 13 Ca -0.01 0.55 0.09 0.00 0.04 0.00 0.00 61.00 61.68 2yro s PRO 13 Cb -0.02 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 2yro s PRO 13 CO -0.03 -2.70 -0.26 -0.65 0.04 0.00 0.00 177.00 173.39 2yro s GLN 14 N -4.95 1.79 0.67 4.56 1.11 -1.25 -4.56 119.66 117.03 2yro s GLN 14 Ca 0.65 -1.12 0.00 0.00 0.01 0.00 0.00 55.36 54.91 2yro s GLN 14 Cb -0.19 -1.98 0.10 0.00 -1.01 0.00 0.00 33.01 29.93 2yro s GLN 14 CO 0.58 0.51 0.93 -0.51 0.01 0.00 0.00 175.29 176.80 2yro s LEU 15 N -1.29 3.06 0.09 2.90 1.43 -1.14 -5.02 118.68 118.71 2yro s LEU 15 Ca 0.12 -0.29 0.06 0.00 -1.03 0.00 0.00 54.13 52.99 2yro s LEU 15 Cb -0.10 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 2yro s LEU 15 CO 0.02 -1.65 -0.16 -0.94 0.23 0.00 0.00 176.35 173.86 2yro s SER 16 N -4.65 1.94 0.12 2.29 1.04 -1.26 -4.50 113.70 108.67 2yro s SER 16 Ca 0.64 -0.67 0.03 0.00 0.48 0.00 0.00 55.95 56.43 2yro s SER 16 Cb -0.07 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.94 2yro s SER 16 CO 0.42 -0.06 0.18 -0.76 0.98 0.00 0.00 173.24 174.00 2yro s LEU 17 N -1.90 4.05 0.21 2.42 1.43 -1.26 -3.28 118.68 120.35 2yro s LEU 17 Ca 0.02 0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 52.87 2yro s LEU 17 Cb -0.09 -2.66 -0.09 0.00 0.03 0.00 0.00 46.19 43.38 2yro s LEU 17 CO 0.03 0.11 1.30 -2.16 0.23 0.00 0.00 176.35 175.85 2yro s PRO 18 N -2.86 4.40 -0.71 1.29 0.04 -1.26 -5.07 135.00 130.83 2yro s PRO 18 Ca 0.32 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 63.19 2yro s PRO 18 Cb -0.11 -3.19 0.08 0.00 0.04 0.00 0.00 34.50 31.32 2yro s PRO 18 CO 0.25 -0.23 0.99 0.12 0.04 0.00 0.00 177.00 178.18 2yro s PHE 19 N -0.01 2.75 -0.35 0.56 5.36 0.81 -4.94 117.98 122.17 2yro s PHE 19 Ca 0.56 -0.70 0.03 0.00 -0.96 0.00 0.00 56.93 55.86 2yro s PHE 19 Cb -0.36 -4.29 0.10 0.00 -0.34 0.00 0.00 43.02 38.13 2yro s PHE 19 CO 0.39 -1.62 0.07 0.00 -1.46 0.00 0.00 175.22 172.60 2yro s ALA 20 N 3.82 2.94 0.17 11.12 0.00 -1.26 -0.83 121.76 137.71 2yro s ALA 20 Ca 0.24 -2.54 -0.04 0.00 0.00 0.00 0.00 51.96 49.62 2yro s ALA 20 Cb -0.15 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.90 2yro s ALA 20 CO 0.07 -1.71 0.16 0.00 0.00 0.00 0.00 175.76 174.28 2yro s ALA 21 N 0.93 0.65 0.20 0.00 0.00 -1.15 -5.01 121.76 117.39 2yro s ALA 21 Ca 0.11 -1.34 0.10 0.00 0.00 0.00 0.00 51.96 50.83 2yro s ALA 21 Cb -0.20 1.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 2yro s ALA 21 CO -0.07 -0.58 -0.17 -0.98 0.00 0.00 0.00 175.76 173.96 2yro s ARG 22 N -4.06 1.79 -0.03 0.00 1.70 -1.26 -0.24 118.95 116.85 2yro s ARG 22 Ca 0.26 -1.46 -0.16 0.00 -0.47 0.00 0.00 55.73 53.90 2yro s ARG 22 Cb 0.06 -1.97 -0.05 0.00 -0.57 0.00 0.00 34.95 32.41 2yro s ARG 22 CO 0.05 0.40 0.44 -0.51 -1.08 0.00 0.00 175.30 174.60 2yro s LEU 23 N -2.90 4.41 0.37 -1.89 1.43 0.06 -4.95 118.68 115.22 2yro s LEU 23 Ca 0.24 0.94 0.26 0.00 -1.03 0.00 0.00 54.13 54.54 2yro s LEU 23 Cb -0.08 -2.64 1.29 0.00 0.03 0.00 0.00 46.19 44.79 2yro s LEU 23 CO 0.13 0.22 1.39 0.59 0.23 0.00 0.00 176.35 178.91 2yro n ASN 24 N 2.42 0.22 -4.09 2.29 3.02 -1.26 -4.37 115.26 113.49 2yro n ASN 24 Ca -0.11 1.31 -0.12 0.00 -0.03 0.00 0.00 54.58 55.62 2yro n ASN 24 Cb 0.52 -0.64 -0.11 0.00 -0.61 0.00 0.00 39.78 38.94 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 -5.15 0.56 -0.02 3.41 -4.23 -1.26 -5.13 115.64 103.83 2yro s THR 25 Ca -0.07 -1.36 -0.30 0.00 -1.18 0.00 0.00 61.69 58.78 2yro s THR 25 Cb 0.28 -0.95 -0.05 0.00 1.34 0.00 0.00 72.50 73.12 2yro s THR 25 CO 0.72 -0.56 1.46 -2.16 -0.54 0.00 0.00 174.62 173.54 2yro s PRO 26 N -2.34 4.25 0.47 3.99 0.04 -1.26 -4.88 135.00 135.27 2yro s PRO 26 Ca -0.03 2.02 -0.08 0.00 0.04 0.00 0.00 61.00 62.95 2yro s PRO 26 Cb -0.05 -3.66 0.11 0.00 0.04 0.00 0.00 34.50 30.94 2yro s PRO 26 CO -0.02 -0.65 0.62 0.00 0.04 0.00 0.00 177.00 176.99 2yro n MET 27 N 5.80 -0.73 0.00 4.56 0.00 -0.55 -4.90 117.12 121.31 2yro n MET 27 Ca 0.14 -0.96 0.00 0.00 0.00 0.00 0.00 57.70 56.88 2yro n MET 27 Cb 0.43 -0.66 0.00 0.00 0.00 0.00 0.00 33.22 32.99 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 0.75 -0.65 3.77 3.17 0.00 -1.24 -3.77 105.19 107.21 2yro n GLY 28 Ca 0.08 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.32 4.16 0.00 1.61 0.04 -1.26 -2.95 135.00 135.27 2yro s PRO 29 Ca 0.00 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2yro s PRO 29 Cb 0.00 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.73 2yro s PRO 29 CO 0.00 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.19 2yro n GLY 30 N 0.73 3.07 3.88 0.56 0.00 0.26 -4.98 105.19 108.71 2yro n GLY 30 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2yro n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yro s ARG 31 N -0.17 3.67 -0.17 1.61 1.81 -1.15 -4.58 118.95 119.97 2yro s ARG 31 Ca 0.00 0.51 -0.02 0.00 -1.72 0.00 0.00 55.73 54.50 2yro s ARG 31 Cb 0.00 -2.27 0.05 0.00 -0.45 0.00 0.00 34.95 32.28 2yro s ARG 31 CO 0.00 -0.27 0.02 0.99 -0.68 0.00 0.00 175.30 175.36 2yro s THR 32 N -2.75 0.58 -0.35 0.02 2.01 -1.13 -3.01 115.64 111.00 2yro s THR 32 Ca 0.52 -0.46 -0.08 0.00 0.31 0.00 0.00 61.69 61.98 2yro s THR 32 Cb -0.10 -0.99 0.04 0.00 0.01 0.00 0.00 72.50 71.46 2yro s THR 32 CO 0.42 -0.10 0.14 -0.69 -0.69 0.00 0.00 174.62 173.71 2yro s VAL 33 N 1.85 4.03 0.22 3.82 1.01 -0.47 -2.76 120.40 128.10 2yro s VAL 33 Ca 0.00 -1.08 0.05 0.00 0.00 0.00 0.00 61.98 60.95 2yro s VAL 33 Cb -0.16 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 2yro s VAL 33 CO -0.07 -0.22 0.34 0.68 0.00 0.00 0.00 175.10 175.83 2yro s VAL 34 N 1.44 5.25 -0.26 2.92 -7.23 -0.33 -0.89 120.40 121.31 2yro s VAL 34 Ca -0.00 -0.94 -0.01 0.00 -1.81 0.00 0.00 61.98 59.22 2yro s VAL 34 Cb -0.20 -3.82 0.08 0.00 0.56 0.00 0.00 36.38 33.00 2yro s VAL 34 CO 0.04 -0.28 0.05 -0.69 -0.31 0.00 0.00 175.10 173.91 2yro s VAL 35 N -1.93 0.89 -0.36 1.32 1.01 0.75 -3.14 120.40 118.94 2yro s VAL 35 Ca 0.34 -1.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 2yro s VAL 35 Cb -0.09 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 2yro s VAL 35 CO 0.29 -0.40 0.50 -0.54 0.00 0.00 0.00 175.10 174.95 2yro s LYS 36 N 1.65 3.56 0.03 2.72 1.02 -1.10 -2.51 119.74 125.12 2yro s LYS 36 Ca 0.03 -0.23 -0.01 0.00 0.02 0.00 0.00 55.97 55.78 2yro s LYS 36 Cb -0.17 -3.83 0.00 0.00 -0.52 0.00 0.00 37.83 33.31 2yro s LYS 36 CO -0.15 -0.67 0.06 0.41 -0.92 0.00 0.00 175.35 174.08 2yro n GLY 37 N 4.84 2.21 3.17 -3.33 0.00 -1.23 -2.17 105.19 108.69 2yro n GLY 37 Ca -0.05 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 2yro n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yro s GLU 38 N -2.02 0.74 0.08 1.61 2.02 -0.82 -3.23 118.70 117.07 2yro s GLU 38 Ca 0.02 -0.86 0.02 0.00 0.02 0.00 0.00 54.97 54.17 2yro s GLU 38 Cb -0.00 0.30 -0.04 0.00 0.10 0.00 0.00 34.13 34.48 2yro s GLU 38 CO 0.01 -0.21 0.14 0.08 0.02 0.00 0.00 175.26 175.30 2yro s VAL 39 N -3.29 4.86 0.35 2.63 1.01 -0.68 -1.29 120.40 123.99 2yro s VAL 39 Ca 0.01 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 2yro s VAL 39 Cb 0.03 -3.37 -0.09 0.00 0.00 0.00 0.00 36.38 32.95 2yro s VAL 39 CO -0.08 0.11 0.77 0.20 0.00 0.00 0.00 175.10 176.10 2yro s ASN 40 N -2.51 6.73 0.32 3.32 0.01 -1.26 -1.39 114.94 120.17 2yro s ASN 40 Ca 0.32 1.29 0.02 0.00 -0.71 0.00 0.00 52.86 53.78 2yro s ASN 40 Cb -0.12 -2.38 0.56 0.00 0.41 0.00 0.00 41.25 39.71 2yro s ASN 40 CO 0.24 -0.27 1.91 0.00 -1.51 0.00 0.00 177.10 177.48 2yro h ALA 41 N 2.00 1.39 -0.61 0.60 0.00 -1.92 -2.37 119.26 118.34 2yro h ALA 41 Ca -0.48 -0.15 -0.38 0.00 0.00 0.00 0.00 54.91 53.91 2yro h ALA 41 Cb 1.18 -0.21 -0.23 0.00 0.00 0.00 0.00 17.79 18.54 2yro h ALA 41 CO 0.65 0.46 -0.00 0.27 0.00 0.00 0.00 179.25 180.63 2yro n ASN 42 N -4.34 3.99 -4.79 0.00 0.23 -1.26 -4.73 115.26 104.36 2yro n ASN 42 Ca 0.04 -3.77 -0.38 0.00 -0.53 0.00 0.00 54.58 49.93 2yro n ASN 42 Cb 0.17 -0.66 -0.06 0.00 -2.08 0.00 0.00 39.78 37.15 2yro n ASN 42 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2yro s ALA 43 N -3.43 3.45 -0.12 -2.53 0.00 -0.99 -5.01 121.76 113.13 2yro s ALA 43 Ca 0.51 0.28 -0.06 0.00 0.00 0.00 0.00 51.96 52.68 2yro s ALA 43 Cb 0.43 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 2yro s ALA 43 CO 0.01 0.31 0.05 -0.22 0.00 0.00 0.00 175.76 175.92 2yro h LYS 44 N 4.10 0.00 -1.37 0.00 1.63 -1.90 -3.48 116.57 115.55 2yro h LYS 44 Ca -0.48 0.00 0.25 0.00 -0.85 0.00 0.00 60.65 59.57 2yro h LYS 44 Cb 1.20 0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 32.63 2yro h LYS 44 CO 0.65 0.15 0.83 -1.54 -3.45 0.00 0.00 179.45 176.10 2yro s SER 45 N -5.72 -0.12 0.41 4.20 1.04 -1.26 -3.35 113.70 108.89 2yro s SER 45 Ca -0.07 0.04 0.04 0.00 0.48 0.00 0.00 55.95 56.44 2yro s SER 45 Cb 0.00 0.12 -0.05 0.00 0.10 0.00 0.00 66.02 66.20 2yro s SER 45 CO 0.15 -0.19 0.05 0.72 0.98 0.00 0.00 173.24 174.95 2yro s PHE 46 N -2.04 2.06 0.04 5.02 -0.71 -1.22 -2.59 117.98 118.53 2yro s PHE 46 Ca 0.09 -0.94 -0.19 0.00 -1.04 0.00 0.00 56.93 54.85 2yro s PHE 46 Cb -0.01 -1.47 0.04 0.00 -1.21 0.00 0.00 43.02 40.36 2yro s PHE 46 CO -0.04 0.12 0.43 0.54 -1.34 0.00 0.00 175.22 174.93 2yro s ASN 47 N -3.66 -0.31 -0.28 1.98 4.22 0.61 -2.67 114.94 114.83 2yro s ASN 47 Ca 0.27 0.05 -0.02 0.00 -2.14 0.00 0.00 52.86 51.02 2yro s ASN 47 Cb 0.06 0.43 0.09 0.00 1.28 0.00 0.00 41.25 43.11 2yro s ASN 47 CO 0.13 -0.65 0.09 -0.69 -2.04 0.00 0.00 177.10 173.93 2yro s VAL 48 N -2.35 0.66 -0.32 3.54 1.01 -0.99 -1.63 120.40 120.32 2yro s VAL 48 Ca -0.06 -1.12 -0.20 0.00 0.00 0.00 0.00 61.98 60.60 2yro s VAL 48 Cb -0.01 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 2yro s VAL 48 CO -0.01 -0.58 0.63 -1.81 0.00 0.00 0.00 175.10 173.33 2yro s ASP 49 N 1.74 6.47 -0.37 3.32 1.01 0.21 -3.31 116.67 125.74 2yro s ASP 49 Ca 0.07 0.34 -0.07 0.00 0.71 0.00 0.00 52.55 53.60 2yro s ASP 49 Cb -0.17 -2.33 0.06 0.00 1.01 0.00 0.00 42.92 41.49 2yro s ASP 49 CO -0.23 -0.51 0.17 -0.22 0.21 0.00 0.00 175.17 174.58 2yro s LEU 50 N 2.64 4.68 0.44 1.23 2.96 -0.95 -1.46 118.68 128.22 2yro s LEU 50 Ca 0.25 -1.33 0.03 0.00 -0.22 0.00 0.00 54.13 52.86 2yro s LEU 50 Cb -0.15 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 2yro s LEU 50 CO 0.13 -0.41 0.05 -1.48 -1.32 0.00 0.00 176.35 173.31 2yro s LEU 51 N 1.39 2.26 -0.05 -0.68 0.05 -1.24 -0.62 118.68 119.80 2yro s LEU 51 Ca 0.01 -1.59 -0.00 0.00 0.05 0.00 0.00 54.13 52.59 2yro s LEU 51 Cb -0.21 -0.51 -0.03 0.00 -2.05 0.00 0.00 46.19 43.39 2yro s LEU 51 CO 0.02 -0.80 0.00 0.00 -0.55 0.00 0.00 176.35 175.03 2yro s ALA 52 N -3.01 3.30 -1.01 1.48 0.00 -0.66 -3.23 121.76 118.61 2yro s ALA 52 Ca 0.19 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2yro s ALA 52 Cb 0.04 -1.43 0.02 0.00 0.00 0.00 0.00 23.12 21.75 2yro s ALA 52 CO 0.10 0.62 0.54 0.41 0.00 0.00 0.00 175.76 177.43 2yro n GLY 53 N 1.81 1.46 0.10 0.00 0.00 -1.25 -2.09 105.19 105.23 2yro n GLY 53 Ca -0.17 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 0.51 -0.49 1.61 0.00 -1.26 -4.75 118.16 113.78 2yro n LYS 54 Ca 0.01 0.20 0.07 0.00 0.00 0.00 0.00 58.31 58.59 2yro n LYS 54 Cb 0.26 -1.40 0.17 0.00 0.00 0.00 0.00 35.03 34.06 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 -4.40 1.80 -4.33 3.14 2.88 -1.25 -4.98 113.62 106.49 2yro n SER 55 Ca -0.14 -3.45 -0.33 0.00 -1.33 0.00 0.00 58.87 53.62 2yro n SER 55 Cb 0.50 -0.47 -0.08 0.00 -0.75 0.00 0.00 64.21 63.41 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 -1.07 -1.24 -4.37 -1.46 4.76 -0.89 -4.91 118.16 108.98 2yro n LYS 56 Ca 0.16 0.15 -0.34 0.00 -2.87 0.00 0.00 58.31 55.41 2yro n LYS 56 Cb 0.70 -3.99 -0.13 0.00 -1.84 0.00 0.00 35.03 29.78 2yro n LYS 56 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2yro s ASP 57 N -4.10 4.62 -0.16 4.39 1.01 -1.24 -4.88 116.67 116.30 2yro s ASP 57 Ca 0.21 -0.20 -0.29 0.00 0.71 0.00 0.00 52.55 52.98 2yro s ASP 57 Cb -0.12 -1.76 -0.01 0.00 1.01 0.00 0.00 42.92 42.05 2yro s ASP 57 CO 0.99 0.13 1.10 -0.63 0.21 0.00 0.00 175.17 176.97 2yro s ILE 58 N 0.57 4.57 -0.09 0.77 1.01 -1.11 -1.66 121.20 125.26 2yro s ILE 58 Ca -0.03 1.88 -0.19 0.00 0.00 0.00 0.00 60.65 62.30 2yro s ILE 58 Cb -0.15 -4.21 -0.28 0.00 0.01 0.00 0.00 42.46 37.83 2yro s ILE 58 CO 0.03 -0.10 0.69 0.00 0.00 0.00 0.00 174.94 175.55 2yro h ALA 59 N 7.51 0.06 -3.37 9.38 0.00 -1.17 -3.27 119.26 128.41 2yro h ALA 59 Ca -0.26 -0.91 -0.26 0.00 0.00 0.00 0.00 54.91 53.49 2yro h ALA 59 Cb 1.10 0.32 -0.32 0.00 0.00 0.00 0.00 17.79 18.89 2yro h ALA 59 CO 0.93 0.61 -0.64 -1.17 0.00 0.00 0.00 179.25 178.98 2yro s LEU 60 N -7.72 0.94 -0.35 0.00 2.96 -1.16 -4.42 118.68 108.94 2yro s LEU 60 Ca -0.18 0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 2yro s LEU 60 Cb 0.03 0.22 0.10 0.00 0.50 0.00 0.00 46.19 47.05 2yro s LEU 60 CO 0.78 -0.13 0.08 -2.28 -1.32 0.00 0.00 176.35 173.49 2yro s HIS 61 N 1.00 3.04 -0.39 5.38 5.65 -0.31 -2.25 115.29 127.41 2yro s HIS 61 Ca -0.08 -2.61 -0.06 0.00 0.25 0.00 0.00 55.06 52.56 2yro s HIS 61 Cb -0.11 -2.51 0.08 0.00 -1.18 0.00 0.00 32.58 28.86 2yro s HIS 61 CO -0.04 -0.91 0.19 -0.51 -0.65 0.00 0.00 174.74 172.82 2yro s LEU 62 N 1.03 4.96 -0.43 8.88 1.43 -1.21 -2.92 118.68 130.41 2yro s LEU 62 Ca 0.11 -1.63 -0.02 0.00 -1.03 0.00 0.00 54.13 51.56 2yro s LEU 62 Cb -0.19 -1.89 0.12 0.00 0.03 0.00 0.00 46.19 44.26 2yro s LEU 62 CO -0.12 -0.49 0.22 0.21 0.23 0.00 0.00 176.35 176.40 2yro s ASN 63 N 1.87 5.20 0.50 2.29 3.84 -1.14 -2.34 114.94 125.15 2yro s ASN 63 Ca 0.03 -2.16 -0.21 0.00 0.21 0.00 0.00 52.86 50.73 2yro s ASN 63 Cb -0.22 -1.81 -0.07 0.00 -0.55 0.00 0.00 41.25 38.60 2yro s ASN 63 CO -0.01 -0.51 1.15 -2.16 -2.79 0.00 0.00 177.10 172.79 2yro s PRO 64 N 0.95 3.57 -0.00 0.43 0.04 -1.09 -3.37 135.00 135.53 2yro s PRO 64 Ca 0.10 1.70 0.06 0.00 0.04 0.00 0.00 61.00 62.89 2yro s PRO 64 Cb -0.22 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 2yro s PRO 64 CO -0.04 -0.69 -0.18 1.03 0.04 0.00 0.00 177.00 177.16 2yro s ARG 65 N -2.97 1.41 -0.10 4.56 0.52 -1.22 -3.40 118.95 117.75 2yro s ARG 65 Ca 0.68 -0.69 0.13 0.00 -0.52 0.00 0.00 55.73 55.33 2yro s ARG 65 Cb -0.26 -1.39 -0.19 0.00 0.52 0.00 0.00 34.95 33.63 2yro s ARG 65 CO 0.31 0.38 0.14 1.28 0.02 0.00 0.00 175.30 177.42 2yro n LEU 66 N 2.49 0.00 0.45 2.53 4.77 -1.21 -3.36 117.00 122.66 2yro n LEU 66 Ca -0.15 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.63 2yro n LEU 66 Cb 0.54 0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 41.76 2yro n LEU 66 CO 0.24 0.22 0.53 -1.13 -1.33 0.00 0.00 177.39 175.93 2yro h ASN 67 N 0.00 -1.20 -0.50 -1.43 -1.24 -1.93 -3.20 115.58 106.07 2yro h ASN 67 Ca -0.25 0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.82 2yro h ASN 67 Cb 1.45 0.34 0.00 0.00 0.73 0.00 0.00 38.32 40.84 2yro h ASN 67 CO 0.01 -0.76 0.00 2.30 -1.29 0.00 0.00 177.43 177.70 2yro n ILE 68 N -5.53 1.39 -4.17 2.57 -6.64 -1.26 -4.98 119.36 100.75 2yro n ILE 68 Ca -0.15 -1.17 -0.36 0.00 -1.77 0.00 0.00 62.75 59.31 2yro n ILE 68 Cb 0.50 0.30 -0.04 0.00 -1.44 0.00 0.00 39.64 38.96 2yro n ILE 68 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 2yro n LYS 69 N 0.80 -1.02 -4.05 6.28 4.76 -1.21 -4.94 118.16 118.78 2yro n LYS 69 Ca 0.20 0.14 -0.29 0.00 -2.87 0.00 0.00 58.31 55.49 2yro n LYS 69 Cb 0.65 -3.38 -0.17 0.00 -1.84 0.00 0.00 35.03 30.30 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 -4.02 1.68 -0.11 7.82 0.00 -1.23 -4.76 121.76 121.14 2yro s ALA 70 Ca 0.18 -0.77 -0.27 0.00 0.00 0.00 0.00 51.96 51.10 2yro s ALA 70 Cb -0.10 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 2yro s ALA 70 CO 0.97 -0.35 0.90 0.12 0.00 0.00 0.00 175.76 177.40 2yro s PHE 71 N 1.48 3.50 -0.24 0.00 2.19 -1.26 -3.44 117.98 120.21 2yro s PHE 71 Ca 0.03 1.43 -0.08 0.00 0.33 0.00 0.00 56.93 58.64 2yro s PHE 71 Cb -0.13 -3.07 -0.04 0.00 -1.31 0.00 0.00 43.02 38.48 2yro s PHE 71 CO -0.09 -0.17 0.10 0.08 1.83 0.00 0.00 175.22 176.97 2yro s VAL 72 N 1.81 4.72 -0.11 3.12 1.01 -1.22 -4.21 120.40 125.52 2yro s VAL 72 Ca 0.44 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.41 2yro s VAL 72 Cb -0.18 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2yro s VAL 72 CO 0.17 0.35 -0.23 -0.13 0.00 0.00 0.00 175.10 175.26 2yro s ARG 73 N 1.29 3.01 0.06 2.72 0.52 -0.93 -2.89 118.95 122.74 2yro s ARG 73 Ca 0.06 -0.86 -0.26 0.00 -0.52 0.00 0.00 55.73 54.14 2yro s ARG 73 Cb -0.15 -2.31 0.09 0.00 0.52 0.00 0.00 34.95 33.11 2yro s ARG 73 CO 0.05 0.13 1.19 1.21 0.02 0.00 0.00 175.30 177.89 2yro s ASN 74 N 0.46 0.00 0.10 0.23 2.47 -1.15 -1.72 114.94 115.34 2yro s ASN 74 Ca -0.16 -0.39 -0.13 0.00 0.42 0.00 0.00 52.86 52.60 2yro s ASN 74 Cb -0.17 0.29 0.02 0.00 -1.45 0.00 0.00 41.25 39.93 2yro s ASN 74 CO 0.06 -0.57 0.30 -0.55 -3.72 0.00 0.00 177.10 172.62 2yro s SER 75 N -3.61 -0.07 -0.35 -4.21 0.15 -1.26 -1.16 113.70 103.18 2yro s SER 75 Ca 0.26 -0.44 0.03 0.00 0.70 0.00 0.00 55.95 56.49 2yro s SER 75 Cb -0.01 0.40 0.10 0.00 -1.71 0.00 0.00 66.02 64.81 2yro s SER 75 CO 0.02 -0.77 0.08 0.12 1.20 0.00 0.00 173.24 173.88 2yro s PHE 76 N -3.69 3.22 -0.02 3.44 5.36 -1.23 -2.60 117.98 122.45 2yro s PHE 76 Ca 0.03 -2.72 0.05 0.00 -0.96 0.00 0.00 56.93 53.33 2yro s PHE 76 Cb 0.03 -2.62 -0.03 0.00 -0.34 0.00 0.00 43.02 40.06 2yro s PHE 76 CO -0.11 -0.92 -0.17 -0.51 -1.46 0.00 0.00 175.22 172.06 2yro s LEU 77 N 0.97 2.60 -1.46 6.12 1.43 -0.21 -2.76 118.68 125.37 2yro s LEU 77 Ca 0.11 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 2yro s LEU 77 Cb -0.19 -1.52 0.06 0.00 0.03 0.00 0.00 46.19 44.57 2yro s LEU 77 CO -0.11 0.32 0.99 0.00 0.23 0.00 0.00 176.35 177.77 2yro n GLN 78 N 2.13 -5.95 -3.66 1.70 6.02 -1.26 -1.16 117.38 115.20 2yro n GLN 78 Ca -0.17 0.65 -0.27 0.00 -0.01 0.00 0.00 57.00 57.21 2yro n GLN 78 Cb 0.52 -5.53 0.04 0.00 1.02 0.00 0.00 30.24 26.28 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 -4.68 -5.88 -3.88 -1.09 1.02 -1.26 -4.97 120.64 99.89 2yro n GLU 79 Ca -0.02 0.69 -0.11 0.00 -0.02 0.00 0.00 57.16 57.70 2yro n GLU 79 Cb 0.56 -5.61 -0.10 0.00 -0.02 0.00 0.00 31.44 26.27 2yro n GLU 79 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2yro s SER 80 N -3.16 0.04 -0.17 1.62 0.15 -0.31 -5.15 113.70 106.71 2yro s SER 80 Ca 0.57 -0.20 -0.06 0.00 0.70 0.00 0.00 55.95 56.96 2yro s SER 80 Cb -0.28 0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.19 2yro s SER 80 CO 0.71 -0.33 0.04 0.26 1.20 0.00 0.00 173.24 175.12 2yro s TRP 81 N -1.24 3.22 0.00 3.44 0.52 -1.26 -1.04 118.94 122.57 2yro s TRP 81 Ca -0.13 0.03 0.00 0.00 0.02 0.00 0.00 56.10 56.02 2yro s TRP 81 Cb -0.07 -2.04 0.00 0.00 -1.15 0.00 0.00 33.47 30.21 2yro s TRP 81 CO 0.01 0.16 0.00 0.41 0.02 0.00 0.00 176.95 177.55 2yro n GLY 82 N 3.40 -0.50 3.30 0.98 0.00 -1.07 -5.00 105.19 106.29 2yro n GLY 82 Ca -0.17 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 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 3.28 -0.17 1.61 2.02 -1.26 -5.01 118.70 119.17 2yro s GLU 83 Ca 0.00 -0.72 -0.29 0.00 0.02 0.00 0.00 54.97 53.98 2yro s GLU 83 Cb 0.00 -2.68 -0.00 0.00 0.10 0.00 0.00 34.13 31.55 2yro s GLU 83 CO 0.00 0.04 1.02 -1.21 0.02 0.00 0.00 175.26 175.13 2yro s GLU 84 N 0.78 4.33 -0.16 1.61 8.01 -1.26 -4.62 118.70 127.39 2yro s GLU 84 Ca -0.05 1.36 -0.06 0.00 0.01 0.00 0.00 54.97 56.23 2yro s GLU 84 Cb -0.15 -3.60 -0.04 0.00 -4.31 0.00 0.00 34.13 26.04 2yro s GLU 84 CO 0.01 -0.48 0.03 -2.00 0.01 0.00 0.00 175.26 172.83 2yro s GLU 85 N 2.64 3.79 -0.36 1.61 2.12 -0.70 -4.94 118.70 122.86 2yro s GLU 85 Ca 0.46 -0.39 -0.00 0.00 0.36 0.00 0.00 54.97 55.40 2yro s GLU 85 Cb -0.16 -3.10 0.12 0.00 0.26 0.00 0.00 34.13 31.25 2yro s GLU 85 CO 0.11 0.33 0.18 1.03 -0.54 0.00 0.00 175.26 176.37 2yro s ARG 86 N 0.19 0.78 -0.30 4.30 0.52 -1.26 -2.18 118.95 121.00 2yro s ARG 86 Ca 0.03 -1.38 -0.07 0.00 -0.52 0.00 0.00 55.73 53.79 2yro s ARG 86 Cb -0.13 -1.78 0.18 0.00 0.52 0.00 0.00 34.95 33.75 2yro s ARG 86 CO 0.01 -1.12 0.82 1.21 0.02 0.00 0.00 175.30 176.25 2yro s ASN 87 N 1.11 -0.94 0.02 0.23 3.84 -1.26 -4.99 114.94 112.94 2yro s ASN 87 Ca 0.15 0.54 0.01 0.00 0.21 0.00 0.00 52.86 53.77 2yro s ASN 87 Cb -0.21 1.77 -0.02 0.00 -0.55 0.00 0.00 41.25 42.24 2yro s ASN 87 CO -0.10 -0.18 -0.04 0.27 -2.79 0.00 0.00 177.10 174.26 2yro s ILE 88 N 2.91 0.25 0.05 -5.21 -4.36 -1.26 -4.99 121.20 108.59 2yro s ILE 88 Ca 0.11 -0.77 -0.23 0.00 -0.26 0.00 0.00 60.65 59.50 2yro s ILE 88 Cb -0.12 -0.34 -0.14 0.00 1.25 0.00 0.00 42.46 43.11 2yro s ILE 88 CO -0.17 -0.34 1.53 0.74 0.24 0.00 0.00 174.94 176.95 2yro h THR 89 N 4.71 1.20 -2.79 8.37 2.02 -1.99 -3.46 112.91 120.96 2yro h THR 89 Ca -0.32 -0.60 -0.10 0.00 0.77 0.00 0.00 66.41 66.16 2yro h THR 89 Cb 1.21 1.45 -0.20 0.00 -1.74 0.00 0.00 68.15 68.87 2yro h THR 89 CO 0.43 0.17 -0.16 -0.55 0.37 0.00 0.00 175.52 175.78 2yro s SER 90 N -5.55 -0.30 -0.47 4.18 0.15 -1.26 -5.13 113.70 105.32 2yro s SER 90 Ca -0.14 0.23 -0.16 0.00 0.70 0.00 0.00 55.95 56.58 2yro s SER 90 Cb 0.05 0.37 0.07 0.00 -1.71 0.00 0.00 66.02 64.80 2yro s SER 90 CO 0.69 -0.49 0.42 0.12 1.20 0.00 0.00 173.24 175.18 2yro s PHE 91 N -1.34 3.22 -0.02 3.44 5.36 -1.26 -4.95 117.98 122.42 2yro s PHE 91 Ca -0.13 -0.85 -0.25 0.00 -0.96 0.00 0.00 56.93 54.74 2yro s PHE 91 Cb -0.04 -3.19 -0.20 0.00 -0.34 0.00 0.00 43.02 39.26 2yro s PHE 91 CO 0.05 -0.82 1.23 -1.00 -1.46 0.00 0.00 175.22 173.23 2yro h PRO 92 N 8.78 -0.05 -6.11 10.12 0.13 -1.98 -3.45 132.00 139.43 2yro h PRO 92 Ca -0.28 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.14 2yro h PRO 92 Cb 1.11 0.01 0.07 0.00 0.13 0.00 0.00 31.00 32.32 2yro h PRO 92 CO 0.88 0.42 -0.01 1.19 -0.23 0.00 0.00 178.00 180.25 2yro n PHE 93 N -4.88 0.59 -3.86 1.56 3.72 -1.26 -4.97 117.46 108.35 2yro n PHE 93 Ca -0.08 0.90 -0.11 0.00 -0.05 0.00 0.00 57.45 58.10 2yro n PHE 93 Cb 0.25 -2.13 -0.10 0.00 -0.94 0.00 0.00 39.48 36.56 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 -0.23 -0.00 -0.03 4.37 0.01 -1.26 -4.98 113.70 111.57 2yro s SER 94 Ca 0.78 -0.13 -0.30 0.00 1.31 0.00 0.00 55.95 57.62 2yro s SER 94 Cb -1.04 0.22 -0.05 0.00 0.21 0.00 0.00 66.02 65.36 2yro s SER 94 CO 0.55 -0.32 1.48 -2.16 0.41 0.00 0.00 173.24 173.20 2yro s PRO 95 N -1.14 4.24 0.00 12.44 0.04 -1.26 -3.34 135.00 145.97 2yro s PRO 95 Ca -0.12 2.02 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2yro s PRO 95 Cb -0.07 -3.72 0.00 0.00 0.04 0.00 0.00 34.50 30.76 2yro s PRO 95 CO 0.01 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.78 2yro n GLY 96 N 3.81 0.76 3.21 0.56 0.00 -0.49 -4.57 105.19 108.48 2yro n GLY 96 Ca 0.15 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.30 0.89 -0.23 1.61 0.23 -1.21 -4.93 119.30 111.36 2yro s MET 97 Ca 0.00 -1.12 -0.16 0.00 -1.03 0.00 0.00 55.69 53.37 2yro s MET 97 Cb 0.00 0.31 -0.04 0.00 -1.53 0.00 0.00 34.83 33.58 2yro s MET 97 CO 0.00 -0.28 0.42 -0.47 -2.03 0.00 0.00 175.02 172.67 2yro s TYR 98 N -3.92 3.33 -0.03 3.16 5.04 -1.26 -1.69 117.35 121.98 2yro s TYR 98 Ca 0.11 0.59 0.04 0.00 -2.44 0.00 0.00 57.07 55.36 2yro s TYR 98 Cb 0.05 -2.58 -0.00 0.00 0.35 0.00 0.00 41.96 39.78 2yro s TYR 98 CO -0.06 -0.11 -0.13 -0.59 -1.34 0.00 0.00 175.55 173.31 2yro s PHE 99 N 1.67 1.32 -0.20 4.97 -0.12 -1.20 -4.92 117.98 119.52 2yro s PHE 99 Ca 0.19 -0.35 0.01 0.00 -0.05 0.00 0.00 56.93 56.74 2yro s PHE 99 Cb -0.15 -0.90 0.03 0.00 -0.63 0.00 0.00 43.02 41.36 2yro s PHE 99 CO 0.09 -0.12 -0.18 -2.00 -0.05 0.00 0.00 175.22 172.96 2yro s GLU 100 N 0.06 2.81 -0.26 1.99 -6.30 -1.26 -3.52 118.70 112.22 2yro s GLU 100 Ca -0.02 -0.93 -0.13 0.00 -2.50 0.00 0.00 54.97 51.39 2yro s GLU 100 Cb -0.09 -2.62 -0.04 0.00 0.00 0.00 0.00 34.13 31.37 2yro s GLU 100 CO 0.01 -0.28 0.29 1.41 0.02 0.00 0.00 175.26 176.71 2yro s MET 101 N 1.26 4.03 -0.27 4.30 -2.45 -1.04 -1.27 119.30 123.85 2yro s MET 101 Ca 0.02 -0.08 -0.05 0.00 -1.25 0.00 0.00 55.69 54.33 2yro s MET 101 Cb -0.14 -3.62 0.01 0.00 1.25 0.00 0.00 34.83 32.33 2yro s MET 101 CO -0.11 -0.16 0.03 0.42 1.05 0.00 0.00 175.02 176.25 2yro s ILE 102 N 1.69 3.61 -0.46 10.11 1.09 -0.76 -0.18 121.20 136.31 2yro s ILE 102 Ca 0.12 -0.76 -0.11 0.00 -1.10 0.00 0.00 60.65 58.80 2yro s ILE 102 Cb -0.15 -2.83 0.09 0.00 -1.06 0.00 0.00 42.46 38.51 2yro s ILE 102 CO 0.09 0.15 0.34 -0.63 -0.10 0.00 0.00 174.94 174.79 2yro s ILE 103 N 1.45 4.57 -0.04 2.92 1.01 -0.07 -2.55 121.20 128.49 2yro s ILE 103 Ca 0.02 -1.43 0.00 0.00 0.00 0.00 0.00 60.65 59.25 2yro s ILE 103 Cb -0.17 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 2yro s ILE 103 CO 0.00 -0.63 -0.01 -0.47 0.00 0.00 0.00 174.94 173.83 2yro s TYR 104 N 1.48 3.08 -0.30 3.97 5.04 -1.21 -1.36 117.35 128.04 2yro s TYR 104 Ca 0.04 0.11 -0.04 0.00 -2.44 0.00 0.00 57.07 54.74 2yro s TYR 104 Cb -0.25 -1.72 0.03 0.00 0.35 0.00 0.00 41.96 40.38 2yro s TYR 104 CO 0.03 0.44 0.04 0.00 -1.34 0.00 0.00 175.55 174.72 2yro n ASP 106 N 4.74 3.85 -1.87 0.00 -0.08 -1.25 -0.57 116.55 121.37 2yro n ASP 106 Ca -0.14 -3.46 -0.08 0.00 -1.51 0.00 0.00 54.79 49.60 2yro n ASP 106 Cb 0.45 -0.73 -0.02 0.00 2.34 0.00 0.00 41.12 43.16 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 -0.73 -0.20 0.00 5.18 0.31 -1.26 -4.57 118.33 117.06 2yro n VAL 107 Ca 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.76 2yro n VAL 107 Cb 1.35 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 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 -2.14 0.89 -3.61 5.55 5.12 -1.26 -5.11 116.66 116.10 2yro n ARG 108 Ca -0.09 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.81 2yro n ARG 108 Cb 0.43 -0.64 -0.01 0.00 -1.16 0.00 0.00 32.46 31.07 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 -1.28 0.38 -0.53 5.56 -1.05 -1.26 -4.09 118.70 116.43 2yro s GLU 109 Ca 0.00 -0.18 -0.21 0.00 -0.15 0.00 0.00 54.97 54.43 2yro s GLU 109 Cb 0.00 0.15 0.05 0.00 -0.44 0.00 0.00 34.13 33.89 2yro s GLU 109 CO 0.00 -0.17 0.75 -0.06 0.95 0.00 0.00 175.26 176.73 2yro s PHE 110 N -2.46 2.95 0.17 4.83 0.08 0.17 -3.96 117.98 119.75 2yro s PHE 110 Ca 0.11 -0.34 -0.11 0.00 0.12 0.00 0.00 56.93 56.72 2yro s PHE 110 Cb 0.01 -3.76 -0.07 0.00 -0.57 0.00 0.00 43.02 38.64 2yro s PHE 110 CO -0.04 -1.16 0.52 0.15 -0.10 0.00 0.00 175.22 174.58 2yro s LYS 111 N 3.16 3.85 -0.15 0.44 1.02 -1.20 -1.19 119.74 125.67 2yro s LYS 111 Ca 0.21 0.31 -0.04 0.00 0.02 0.00 0.00 55.97 56.47 2yro s LYS 111 Cb -0.17 -2.81 0.07 0.00 -0.52 0.00 0.00 37.83 34.41 2yro s LYS 111 CO 0.15 0.42 0.22 0.54 -0.92 0.00 0.00 175.35 175.76 2yro s VAL 112 N -1.62 -0.34 0.18 3.17 0.11 -1.24 -3.36 120.40 117.30 2yro s VAL 112 Ca 0.41 0.11 0.08 0.00 -2.93 0.00 0.00 61.98 59.64 2yro s VAL 112 Cb -0.13 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 2yro s VAL 112 CO 0.20 -0.03 -0.01 0.00 -3.33 0.00 0.00 175.10 171.93 2yro s ALA 113 N 2.35 3.18 -0.12 1.54 0.00 -1.06 -3.64 121.76 124.00 2yro s ALA 113 Ca 0.04 -1.39 -0.01 0.00 0.00 0.00 0.00 51.96 50.60 2yro s ALA 113 Cb -0.14 -0.96 0.03 0.00 0.00 0.00 0.00 23.12 22.05 2yro s ALA 113 CO -0.10 0.46 -0.06 0.08 0.00 0.00 0.00 175.76 176.15 2yro s VAL 114 N -1.77 0.98 -1.14 0.00 1.01 -0.88 -1.83 120.40 116.76 2yro s VAL 114 Ca 0.28 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 2yro s VAL 114 Cb -0.09 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.24 2yro s VAL 114 CO 0.18 0.29 0.98 0.59 0.00 0.00 0.00 175.10 177.15 2yro n ASN 115 N 4.95 -4.33 -3.37 3.32 3.02 -0.40 -2.56 115.26 115.90 2yro n ASN 115 Ca -0.12 -0.50 -0.23 0.00 -0.03 0.00 0.00 54.58 53.70 2yro n ASN 115 Cb 0.49 -4.52 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 -1.54 -0.49 2.95 7.41 0.00 -1.26 -4.99 105.19 107.27 2yro n GLY 116 Ca -0.10 0.20 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.28 -0.68 0.18 1.61 1.01 -1.06 -5.13 120.40 113.05 2yro s VAL 117 Ca 0.51 -0.13 -0.33 0.00 0.00 0.00 0.00 61.98 62.02 2yro s VAL 117 Cb -0.22 -0.90 -0.14 0.00 0.00 0.00 0.00 36.38 35.12 2yro s VAL 117 CO 0.63 -0.16 1.58 1.57 0.00 0.00 0.00 175.10 178.73 2yro n HIS 118 N 5.37 2.35 -0.02 5.22 -0.00 -1.26 -2.08 115.22 124.79 2yro n HIS 118 Ca -0.01 0.25 -0.04 0.00 0.46 0.00 0.00 57.72 58.38 2yro n HIS 118 Cb 0.50 -2.56 -0.01 0.00 -0.12 0.00 0.00 29.99 27.80 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 3.36 1.23 -3.91 0.26 7.64 -1.24 -4.92 113.62 116.05 2yro n SER 119 Ca 0.16 0.19 -0.10 0.00 1.01 0.00 0.00 58.87 60.14 2yro n SER 119 Cb 0.30 -0.50 -0.09 0.00 -1.01 0.00 0.00 64.21 62.90 2yro n SER 119 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2yro s LEU 120 N -6.96 1.72 0.36 -3.43 -0.00 -1.26 -5.01 118.68 104.10 2yro s LEU 120 Ca -0.13 -0.44 0.09 0.00 -0.00 0.00 0.00 54.13 53.65 2yro s LEU 120 Cb 0.02 0.64 -0.06 0.00 -0.00 0.00 0.00 46.19 46.78 2yro s LEU 120 CO 0.19 -0.48 -0.01 -1.61 -0.00 0.00 0.00 176.35 174.44 2yro s GLU 121 N -2.29 1.99 -0.17 1.48 2.02 -1.26 -3.71 118.70 116.75 2yro s GLU 121 Ca -0.08 -1.86 -0.04 0.00 0.02 0.00 0.00 54.97 53.01 2yro s GLU 121 Cb -0.03 -1.82 0.08 0.00 0.10 0.00 0.00 34.13 32.46 2yro s GLU 121 CO -0.03 0.10 0.24 -0.47 0.02 0.00 0.00 175.26 175.11 2yro s TYR 122 N -2.58 -0.35 0.49 1.61 5.04 -0.33 -5.03 117.35 116.20 2yro s TYR 122 Ca 0.34 0.54 -0.20 0.00 -2.44 0.00 0.00 57.07 55.31 2yro s TYR 122 Cb 0.02 -0.22 -0.11 0.00 0.35 0.00 0.00 41.96 41.99 2yro s TYR 122 CO 0.18 -0.50 0.43 1.63 -1.34 0.00 0.00 175.55 175.95 2yro n LYS 123 N 5.33 0.45 -1.61 4.97 4.01 -1.26 0.43 118.16 130.48 2yro n LYS 123 Ca -0.05 0.17 -0.28 0.00 -0.51 0.00 0.00 58.31 57.63 2yro n LYS 123 Cb 0.50 -1.49 -0.04 0.00 -0.51 0.00 0.00 35.03 33.48 2yro n LYS 123 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 2yro s HIS 124 N -1.65 1.16 0.10 2.13 3.76 -1.26 -4.42 115.29 115.11 2yro s HIS 124 Ca 0.64 1.62 -0.13 0.00 -0.15 0.00 0.00 55.06 57.04 2yro s HIS 124 Cb -0.53 -3.59 -0.17 0.00 1.11 0.00 0.00 32.58 29.41 2yro s HIS 124 CO 0.58 -2.17 1.28 -0.09 -0.85 0.00 0.00 174.74 173.49 2yro h ARG 125 N 16.72 0.78 -5.55 1.40 2.43 -1.84 -3.42 114.38 124.90 2yro h ARG 125 Ca -0.15 -0.67 -0.62 0.00 -0.81 0.00 0.00 59.98 57.74 2yro h ARG 125 Cb 1.16 0.15 -0.12 0.00 -0.42 0.00 0.00 29.97 30.74 2yro h ARG 125 CO 1.12 1.27 0.20 0.12 -1.51 0.00 0.00 179.97 181.16 2yro s PHE 126 N -3.67 3.21 0.08 2.20 5.36 -1.26 -4.96 117.98 118.92 2yro s PHE 126 Ca -0.10 0.61 -0.31 0.00 -0.96 0.00 0.00 56.93 56.17 2yro s PHE 126 Cb 0.08 -3.05 -0.18 0.00 -0.34 0.00 0.00 43.02 39.54 2yro s PHE 126 CO 0.91 -0.50 1.65 0.87 -1.46 0.00 0.00 175.22 176.68 2yro h LYS 127 N 8.19 -0.68 -6.19 10.12 1.79 -2.00 -3.38 116.57 124.43 2yro h LYS 127 Ca -0.26 0.05 -0.53 0.00 -2.18 0.00 0.00 60.65 57.72 2yro h LYS 127 Cb 1.11 0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 31.88 2yro h LYS 127 CO 0.82 -0.45 1.25 -2.00 -1.08 0.00 0.00 179.45 177.99 2yro s GLU 128 N -6.08 3.01 0.01 3.15 2.56 -1.26 -4.81 118.70 115.28 2yro s GLU 128 Ca -0.17 0.76 0.13 0.00 0.00 0.00 0.00 54.97 55.69 2yro s GLU 128 Cb 0.04 -4.26 -0.20 0.00 2.00 0.00 0.00 34.13 31.71 2yro s GLU 128 CO 0.63 -2.27 0.81 -0.07 -0.56 0.00 0.00 175.26 173.80 2yro h LEU 129 N 14.70 0.00 -1.66 2.70 3.38 -1.91 -3.32 115.31 129.19 2yro h LEU 129 Ca -0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2yro h LEU 129 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2yro h LEU 129 CO 1.16 0.90 0.03 -1.54 0.09 0.00 0.00 178.44 179.08 2yro n SER 130 N -3.06 2.14 -0.09 -0.43 3.41 -1.25 -3.52 113.62 110.82 2yro n SER 130 Ca -0.12 -2.18 -0.12 0.00 -0.26 0.00 0.00 58.87 56.19 2yro n SER 130 Cb 0.98 -0.54 -0.09 0.00 -0.26 0.00 0.00 64.21 64.31 2yro n SER 130 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yro n SER 131 N 0.14 2.39 -4.47 4.04 7.64 -1.25 -4.78 113.62 117.33 2yro n SER 131 Ca 0.06 -0.08 -0.47 0.00 1.01 0.00 0.00 58.87 59.39 2yro n SER 131 Cb 0.48 -0.12 -0.07 0.00 -1.01 0.00 0.00 64.21 63.49 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 -2.97 0.12 0.00 0.44 5.41 -1.23 -3.86 119.36 117.28 2yro n ILE 132 Ca -0.31 -0.32 0.00 0.00 1.00 0.00 0.00 62.75 63.11 2yro n ILE 132 Cb 0.87 -1.73 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 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 11.02 3.56 -4.85 4.38 2.03 -1.25 -1.48 116.55 129.96 2yro n ASP 133 Ca 0.43 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.39 2yro n ASP 133 Cb 0.26 0.16 -0.06 0.00 -0.72 0.00 0.00 41.12 40.77 2yro n ASP 133 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2yro s THR 134 N -1.81 4.95 -0.25 5.18 2.01 -1.20 -0.76 115.64 123.76 2yro s THR 134 Ca 0.00 0.71 -0.01 0.00 0.31 0.00 0.00 61.69 62.71 2yro s THR 134 Cb 0.00 -3.71 0.07 0.00 0.01 0.00 0.00 72.50 68.87 2yro s THR 134 CO 0.00 0.31 0.02 -0.22 -0.69 0.00 0.00 174.62 174.04 2yro s LEU 135 N -1.81 2.19 -0.18 4.42 2.96 0.67 -3.59 118.68 123.34 2yro s LEU 135 Ca 0.34 -1.24 -0.08 0.00 -0.22 0.00 0.00 54.13 52.93 2yro s LEU 135 Cb -0.15 -0.95 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 2yro s LEU 135 CO 0.18 -0.31 0.08 -1.61 -1.32 0.00 0.00 176.35 173.37 2yro s GLU 136 N 1.56 3.96 -0.03 1.98 2.02 -0.53 -2.92 118.70 124.74 2yro s GLU 136 Ca 0.01 -0.30 -0.01 0.00 0.02 0.00 0.00 54.97 54.69 2yro s GLU 136 Cb -0.18 -3.25 0.03 0.00 0.10 0.00 0.00 34.13 30.83 2yro s GLU 136 CO -0.12 0.33 0.04 0.42 0.02 0.00 0.00 175.26 175.95 2yro s ILE 137 N 0.23 -0.02 0.22 -1.63 1.01 -0.01 -0.62 121.20 120.37 2yro s ILE 137 Ca 0.05 0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.99 2yro s ILE 137 Cb -0.12 -0.17 -0.05 0.00 0.01 0.00 0.00 42.46 42.14 2yro s ILE 137 CO -0.00 0.15 0.09 0.20 0.00 0.00 0.00 174.94 175.38 2yro s ASN 138 N 1.60 0.81 0.00 3.58 -0.87 -0.65 -0.14 114.94 119.28 2yro s ASN 138 Ca -0.02 -1.34 0.00 0.00 -1.57 0.00 0.00 52.86 49.93 2yro s ASN 138 Cb -0.13 0.23 0.00 0.00 -0.02 0.00 0.00 41.25 41.34 2yro s ASN 138 CO -0.03 -0.74 0.00 0.61 -2.57 0.00 0.00 177.10 174.37 2yro n GLY 139 N -0.34 0.68 2.54 0.66 0.00 -1.26 -0.28 105.19 107.18 2yro n GLY 139 Ca -0.01 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 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 2.44 6.53 -4.48 1.61 8.00 -1.07 -4.96 116.55 124.61 2yro n ASP 140 Ca 0.00 -3.79 -0.23 0.00 0.71 0.00 0.00 54.79 51.48 2yro n ASP 140 Cb 0.00 -0.80 -0.11 0.00 -0.02 0.00 0.00 41.12 40.20 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 -5.06 1.74 -0.43 0.53 -5.25 -1.26 -4.05 121.20 107.42 2yro s ILE 141 Ca 0.54 -2.10 -0.12 0.00 -0.99 0.00 0.00 60.65 57.98 2yro s ILE 141 Cb 0.44 -2.62 0.07 0.00 2.95 0.00 0.00 42.46 43.30 2yro s ILE 141 CO -0.20 -0.19 0.31 -2.28 -1.79 0.00 0.00 174.94 170.79 2yro s HIS 142 N -2.94 3.29 0.16 1.37 5.65 -0.41 -4.91 115.29 117.50 2yro s HIS 142 Ca 0.32 -1.19 -0.30 0.00 0.25 0.00 0.00 55.06 54.13 2yro s HIS 142 Cb 0.05 -2.97 -0.07 0.00 -1.18 0.00 0.00 32.58 28.41 2yro s HIS 142 CO 0.14 -0.80 1.10 -1.17 -0.65 0.00 0.00 174.74 173.37 2yro s LEU 143 N 1.53 4.47 -0.18 8.88 2.96 -1.26 -1.95 118.68 133.13 2yro s LEU 143 Ca 0.03 2.07 -0.16 0.00 -0.22 0.00 0.00 54.13 55.86 2yro s LEU 143 Cb -0.23 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.80 2yro s LEU 143 CO 0.05 -0.24 -0.29 0.18 -1.32 0.00 0.00 176.35 174.73 2yro n LEU 144 N 2.56 1.91 -3.62 -0.68 4.77 -0.92 -2.88 117.00 118.14 2yro n LEU 144 Ca 0.03 0.41 -0.02 0.00 -0.03 0.00 0.00 56.01 56.41 2yro n LEU 144 Cb 0.46 -0.79 -0.01 0.00 -2.33 0.00 0.00 43.42 40.75 2yro n LEU 144 CO 0.54 -0.22 0.99 -0.70 -1.33 0.00 0.00 177.39 176.66 2yro s GLU 145 N -2.69 0.47 0.06 3.23 2.12 -1.09 -3.35 118.70 117.46 2yro s GLU 145 Ca -0.26 -0.23 0.06 0.00 0.36 0.00 0.00 54.97 54.90 2yro s GLU 145 Cb 0.05 0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.58 2yro s GLU 145 CO 0.39 -0.21 -0.11 0.08 -0.54 0.00 0.00 175.26 174.86 2yro s VAL 146 N -2.55 3.29 0.01 3.70 1.01 -1.26 -2.73 120.40 121.88 2yro s VAL 146 Ca 0.12 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2yro s VAL 146 Cb 0.02 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 2yro s VAL 146 CO -0.04 0.25 -0.08 -0.13 0.00 0.00 0.00 175.10 175.10 2yro s ARG 147 N -1.78 0.58 -0.23 2.72 1.81 -1.19 -5.02 118.95 115.84 2yro s ARG 147 Ca 0.18 -0.45 -0.03 0.00 -1.72 0.00 0.00 55.73 53.71 2yro s ARG 147 Cb -0.11 -0.51 0.12 0.00 -0.45 0.00 0.00 34.95 34.01 2yro s ARG 147 CO 0.10 0.13 0.32 -1.54 -0.68 0.00 0.00 175.30 173.63 2yro s SER 148 N -0.68 0.67 0.26 0.23 1.04 -1.26 -1.19 113.70 112.77 2yro s SER 148 Ca -0.01 0.04 0.09 0.00 0.48 0.00 0.00 55.95 56.56 2yro s SER 148 Cb -0.05 0.85 -0.05 0.00 0.10 0.00 0.00 66.02 66.87 2yro s SER 148 CO 0.00 -0.31 -0.15 -1.66 0.98 0.00 0.00 173.24 172.10 2yro s TRP 149 N 2.47 2.02 -0.04 5.02 -2.14 -1.11 -4.98 118.94 120.18 2yro s TRP 149 Ca 0.11 -0.49 -0.03 0.00 2.66 0.00 0.00 56.10 58.34 2yro s TRP 149 Cb -0.15 -0.97 0.02 0.00 -3.10 0.00 0.00 33.47 29.27 2yro s TRP 149 CO -0.15 0.50 0.10 0.45 -2.66 0.00 0.00 176.95 175.19 2yro s SER 150 N -3.43 -0.08 0.00 -2.66 0.15 -1.26 -2.83 113.70 103.59 2yro s SER 150 Ca 0.27 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.12 2yro s SER 150 Cb -0.01 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2yro s SER 150 CO 0.11 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2yro n GLY 151 N 3.46 2.00 3.74 9.45 0.00 -1.26 -5.10 105.19 117.48 2yro n GLY 151 Ca -0.18 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 1.37 4.39 0.06 1.61 0.04 -1.26 -4.96 135.00 136.24 2yro s PRO 152 Ca 0.00 2.04 -0.33 0.00 0.04 0.00 0.00 61.00 62.75 2yro s PRO 152 Cb 0.00 -3.20 -0.19 0.00 0.04 0.00 0.00 34.50 31.15 2yro s PRO 152 CO 0.00 -0.26 1.52 0.77 0.04 0.00 0.00 177.00 179.07 2yro h SER 153 N 5.48 -0.89 -3.50 6.66 0.02 -1.99 -3.45 113.55 115.88 2yro h SER 153 Ca -0.44 0.02 -0.67 0.00 -0.84 0.00 0.00 61.79 59.86 2yro h SER 153 Cb 1.21 0.23 -0.20 0.00 0.14 0.00 0.00 62.40 63.78 2yro h SER 153 CO 0.78 -0.60 -0.84 -0.44 -1.14 0.00 0.00 176.83 174.59 2yro s SER 154 N -4.30 3.43 0.00 3.07 0.01 -1.26 -4.65 113.70 110.00 2yro s SER 154 Ca -0.18 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.29 2yro s SER 154 Cb 0.03 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.99 2yro s SER 154 CO 0.58 0.15 0.43 0.61 0.41 0.00 0.00 173.24 175.43