#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 2.43 0.27 1.61 1.04 -1.26 -5.17 113.70 112.62 2yro s SER 2 Ca 0.00 -1.63 0.12 0.00 0.48 0.00 0.00 55.95 54.92 2yro s SER 2 Cb 0.00 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.50 2yro s SER 2 CO 0.00 -0.90 -0.19 -0.94 0.98 0.00 0.00 173.24 172.19 2yro s SER 3 N -3.53 3.66 0.31 7.02 1.04 -1.26 -5.13 113.70 115.81 2yro s SER 3 Ca 0.28 -0.98 -0.18 0.00 0.48 0.00 0.00 55.95 55.56 2yro s SER 3 Cb 0.04 -0.35 -0.09 0.00 0.10 0.00 0.00 66.02 65.72 2yro s SER 3 CO 0.16 0.04 0.78 -0.83 0.98 0.00 0.00 173.24 174.38 2yro s GLY 4 N -3.45 2.45 -0.18 7.32 0.00 -1.26 -5.07 107.32 107.14 2yro s GLY 4 Ca 0.29 0.16 -0.01 0.00 0.00 0.00 0.00 44.72 45.17 2yro s GLY 4 CO 0.15 0.44 -0.14 -0.56 0.00 0.00 0.00 173.10 172.99 2yro s SER 5 N -2.05 3.66 -0.01 1.64 0.01 -1.26 -5.11 113.70 110.58 2yro s SER 5 Ca 0.52 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 57.32 2yro s SER 5 Cb -0.12 -1.58 -0.01 0.00 0.21 0.00 0.00 66.02 64.52 2yro s SER 5 CO 0.18 0.04 -0.11 -0.44 0.41 0.00 0.00 173.24 173.31 2yro s SER 6 N 1.10 1.36 0.00 2.44 0.01 -1.26 -4.90 113.70 112.45 2yro s SER 6 Ca 0.00 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.05 2yro s SER 6 Cb -0.14 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.89 2yro s SER 6 CO -0.04 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.34 2yro n GLY 7 N 2.90 0.95 0.16 3.44 0.00 -1.26 -5.06 105.19 106.32 2yro n GLY 7 Ca -0.15 0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 2yro n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yro h PRO 8 N 0.00 0.48 -6.54 1.61 0.13 -2.04 -3.48 132.00 122.17 2yro h PRO 8 Ca 0.00 -0.25 -0.51 0.00 -0.87 0.00 0.00 66.00 64.36 2yro h PRO 8 Cb 0.00 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.02 2yro h PRO 8 CO 0.00 0.83 -0.81 1.17 -0.23 0.00 0.00 178.00 178.95 2yro n LYS 9 N -4.45 -4.06 -2.27 0.86 4.81 -1.26 -4.86 118.16 106.92 2yro n LYS 9 Ca -0.05 0.46 -0.43 0.00 -0.87 0.00 0.00 58.31 57.42 2yro n LYS 9 Cb 0.40 -5.17 -0.02 0.00 0.02 0.00 0.00 35.03 30.26 2yro n LYS 9 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2yro s SER 10 N -3.47 6.85 0.00 3.14 1.04 -1.26 -4.62 113.70 115.38 2yro s SER 10 Ca 0.60 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.95 2yro s SER 10 Cb -0.31 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.26 2yro s SER 10 CO 0.89 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.92 2yro n GLY 11 N 3.76 -0.51 3.27 7.32 0.00 -1.26 -5.18 105.19 112.59 2yro n GLY 11 Ca 0.15 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 0.05 -0.70 2.61 -4.23 -1.26 -5.10 115.64 107.01 2yro s THR 12 Ca 0.00 -0.42 -0.26 0.00 -1.18 0.00 0.00 61.69 59.83 2yro s THR 12 Cb 0.00 -0.66 -0.03 0.00 1.34 0.00 0.00 72.50 73.15 2yro s THR 12 CO 0.00 -0.23 1.89 -2.16 -0.54 0.00 0.00 174.62 173.58 2yro s PRO 13 N -1.30 2.60 0.40 3.99 0.04 -1.26 -4.94 135.00 134.52 2yro s PRO 13 Ca -0.13 0.34 -0.23 0.00 0.04 0.00 0.00 61.00 61.02 2yro s PRO 13 Cb -0.05 -4.59 -0.13 0.00 0.04 0.00 0.00 34.50 29.77 2yro s PRO 13 CO 0.05 -2.93 0.49 1.04 0.04 0.00 0.00 177.00 175.69 2yro n GLN 14 N 9.09 0.47 -4.66 4.56 3.00 -1.26 -4.69 117.38 123.89 2yro n GLN 14 Ca 0.26 0.17 -0.30 0.00 -0.01 0.00 0.00 57.00 57.13 2yro n GLN 14 Cb 0.51 -1.40 -0.08 0.00 0.00 0.00 0.00 30.24 29.26 2yro n GLN 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2yro s LEU 15 N 2.20 2.25 0.27 1.08 1.43 -0.60 -5.02 118.68 120.28 2yro s LEU 15 Ca 0.62 -1.63 0.04 0.00 -1.03 0.00 0.00 54.13 52.14 2yro s LEU 15 Cb -0.64 -0.54 -0.06 0.00 0.03 0.00 0.00 46.19 44.99 2yro s LEU 15 CO 0.59 -0.83 -0.00 -0.44 0.23 0.00 0.00 176.35 175.89 2yro s SER 16 N -3.77 2.24 0.16 2.29 0.01 -1.26 -4.50 113.70 108.87 2yro s SER 16 Ca 0.15 -1.25 0.10 0.00 1.31 0.00 0.00 55.95 56.26 2yro s SER 16 Cb 0.03 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.15 2yro s SER 16 CO 0.08 -0.49 -0.23 -0.76 0.41 0.00 0.00 173.24 172.25 2yro s LEU 17 N -3.39 2.38 0.17 2.44 1.43 -1.26 -3.04 118.68 117.41 2yro s LEU 17 Ca 0.31 -0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 2yro s LEU 17 Cb 0.06 -1.07 -0.08 0.00 0.03 0.00 0.00 46.19 45.13 2yro s LEU 17 CO 0.11 0.10 1.33 -2.16 0.23 0.00 0.00 176.35 175.95 2yro s PRO 18 N -2.41 4.37 -0.47 1.29 0.04 -1.26 -5.05 135.00 131.50 2yro s PRO 18 Ca 0.16 2.05 -0.26 0.00 0.04 0.00 0.00 61.00 62.98 2yro s PRO 18 Cb -0.08 -3.22 0.03 0.00 0.04 0.00 0.00 34.50 31.27 2yro s PRO 18 CO 0.07 -0.30 0.97 0.12 0.04 0.00 0.00 177.00 177.90 2yro s PHE 19 N 0.43 2.88 -0.31 0.56 5.36 0.23 -4.88 117.98 122.27 2yro s PHE 19 Ca 0.59 0.42 0.03 0.00 -0.96 0.00 0.00 56.93 57.01 2yro s PHE 19 Cb -0.36 -4.08 0.08 0.00 -0.34 0.00 0.00 43.02 38.32 2yro s PHE 19 CO 0.35 -1.16 -0.00 0.00 -1.46 0.00 0.00 175.22 172.95 2yro s ALA 20 N 3.93 2.65 0.04 11.12 0.00 -1.26 -0.48 121.76 137.75 2yro s ALA 20 Ca 0.39 -2.16 0.02 0.00 0.00 0.00 0.00 51.96 50.21 2yro s ALA 20 Cb -0.10 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 2yro s ALA 20 CO 0.27 -1.50 -0.08 0.00 0.00 0.00 0.00 175.76 174.45 2yro s ALA 21 N 1.04 0.63 0.09 0.00 0.00 -0.99 -4.98 121.76 117.55 2yro s ALA 21 Ca 0.04 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.33 2yro s ALA 21 Cb -0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2yro s ALA 21 CO -0.08 0.03 0.13 -0.98 0.00 0.00 0.00 175.76 174.86 2yro s ARG 22 N -1.30 3.04 -0.15 0.00 1.70 -1.26 -0.41 118.95 120.57 2yro s ARG 22 Ca -0.06 -0.65 -0.17 0.00 -0.47 0.00 0.00 55.73 54.38 2yro s ARG 22 Cb -0.08 -2.80 -0.04 0.00 -0.57 0.00 0.00 34.95 31.45 2yro s ARG 22 CO 0.00 0.56 0.42 -0.51 -1.08 0.00 0.00 175.30 174.70 2yro s LEU 23 N -2.54 4.24 0.32 -1.89 1.43 0.60 -4.95 118.68 115.88 2yro s LEU 23 Ca 0.31 0.68 0.15 0.00 -1.03 0.00 0.00 54.13 54.24 2yro s LEU 23 Cb -0.12 -2.59 1.10 0.00 0.03 0.00 0.00 46.19 44.61 2yro s LEU 23 CO 0.24 -0.00 1.40 0.59 0.23 0.00 0.00 176.35 178.80 2yro n ASN 24 N 3.88 0.23 -4.30 2.29 3.02 -1.26 -4.35 115.26 114.76 2yro n ASN 24 Ca -0.08 1.48 -0.22 0.00 -0.03 0.00 0.00 54.58 55.73 2yro n ASN 24 Cb 0.51 -0.69 -0.12 0.00 -0.61 0.00 0.00 39.78 38.88 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 -5.44 1.72 -0.10 3.41 -4.23 -1.26 -5.11 115.64 104.62 2yro s THR 25 Ca -0.09 -1.75 -0.29 0.00 -1.18 0.00 0.00 61.69 58.37 2yro s THR 25 Cb 0.29 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 72.40 2yro s THR 25 CO 0.69 -0.24 1.53 -2.16 -0.54 0.00 0.00 174.62 173.90 2yro s PRO 26 N -2.45 4.17 1.13 3.99 0.04 -1.26 -4.88 135.00 135.74 2yro s PRO 26 Ca 0.11 1.98 -0.19 0.00 0.04 0.00 0.00 61.00 62.95 2yro s PRO 26 Cb -0.07 -3.92 0.26 0.00 0.04 0.00 0.00 34.50 30.81 2yro s PRO 26 CO 0.05 -0.83 1.19 0.00 0.04 0.00 0.00 177.00 177.45 2yro s MET 27 N 3.91 -0.70 0.00 4.56 0.23 -0.81 -4.87 119.30 121.62 2yro s MET 27 Ca 0.67 -0.22 0.00 0.00 -1.03 0.00 0.00 55.69 55.11 2yro s MET 27 Cb -0.29 -1.67 0.00 0.00 -1.53 0.00 0.00 34.83 31.34 2yro s MET 27 CO 0.25 -3.34 0.00 0.41 -2.03 0.00 0.00 175.02 170.31 2yro n GLY 28 N -1.92 -0.75 3.77 3.16 0.00 -1.23 -3.48 105.19 104.74 2yro n GLY 28 Ca 0.14 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.92 4.19 0.00 1.61 0.04 -1.26 -2.98 135.00 135.68 2yro s PRO 29 Ca 0.00 1.95 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2yro s PRO 29 Cb 0.00 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.70 2yro s PRO 29 CO 0.00 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.22 2yro n GLY 30 N 0.75 2.80 3.75 0.56 0.00 0.91 -4.97 105.19 108.98 2yro n GLY 30 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.01 4.61 -0.29 1.61 3.00 -1.16 -3.34 118.95 123.38 2yro s ARG 31 Ca 0.00 1.78 0.00 0.00 0.00 0.00 0.00 55.73 57.51 2yro s ARG 31 Cb 0.00 -3.23 0.06 0.00 0.00 0.00 0.00 34.95 31.78 2yro s ARG 31 CO 0.00 0.14 -0.04 0.99 0.00 0.00 0.00 175.30 176.39 2yro s THR 32 N -0.73 2.66 -0.31 0.02 2.01 -0.92 -3.15 115.64 115.22 2yro s THR 32 Ca 0.47 -1.51 -0.09 0.00 0.31 0.00 0.00 61.69 60.87 2yro s THR 32 Cb -0.31 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 69.65 2yro s THR 32 CO 0.38 -0.09 0.13 -0.69 -0.69 0.00 0.00 174.62 173.67 2yro s VAL 33 N 1.19 4.38 0.18 3.82 1.01 0.19 -1.53 120.40 129.64 2yro s VAL 33 Ca -0.06 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.40 2yro s VAL 33 Cb -0.20 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2yro s VAL 33 CO -0.03 0.04 0.20 0.68 0.00 0.00 0.00 175.10 175.99 2yro s VAL 34 N 1.57 4.72 -0.25 2.92 -7.23 0.52 -0.39 120.40 122.26 2yro s VAL 34 Ca 0.04 -1.05 -0.02 0.00 -1.81 0.00 0.00 61.98 59.13 2yro s VAL 34 Cb -0.17 -3.46 0.08 0.00 0.56 0.00 0.00 36.38 33.39 2yro s VAL 34 CO 0.05 -0.17 0.07 -0.69 -0.31 0.00 0.00 175.10 174.05 2yro s VAL 35 N -1.84 0.55 -0.04 1.32 1.01 -0.00 -2.76 120.40 118.64 2yro s VAL 35 Ca 0.32 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 2yro s VAL 35 Cb -0.10 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 2yro s VAL 35 CO 0.25 -0.45 0.39 -0.54 0.00 0.00 0.00 175.10 174.75 2yro s LYS 36 N 1.81 3.99 0.00 2.72 1.02 -1.09 -2.77 119.74 125.43 2yro s LYS 36 Ca 0.04 0.36 0.00 0.00 0.02 0.00 0.00 55.97 56.39 2yro s LYS 36 Cb -0.17 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 2yro s LYS 36 CO -0.19 0.58 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 2yro n GLY 37 N 2.17 1.24 3.34 -3.33 0.00 -1.24 -2.92 105.19 104.47 2yro n GLY 37 Ca -0.13 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.04 0.66 0.08 1.61 2.02 -1.08 -3.57 118.70 118.39 2yro s GLU 38 Ca 0.00 0.28 -0.13 0.00 0.02 0.00 0.00 54.97 55.14 2yro s GLU 38 Cb 0.00 0.31 -0.06 0.00 0.10 0.00 0.00 34.13 34.48 2yro s GLU 38 CO 0.00 -0.15 0.45 0.08 0.02 0.00 0.00 175.26 175.67 2yro s VAL 39 N -0.55 4.99 0.39 2.63 1.01 -0.77 -1.44 120.40 126.66 2yro s VAL 39 Ca -0.07 0.71 -0.24 0.00 0.00 0.00 0.00 61.98 62.38 2yro s VAL 39 Cb -0.03 -3.70 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 2yro s VAL 39 CO 0.03 0.37 1.00 0.20 0.00 0.00 0.00 175.10 176.70 2yro s ASN 40 N -1.53 6.93 0.36 3.32 0.01 -1.24 -0.95 114.94 121.85 2yro s ASN 40 Ca 0.32 1.91 0.10 0.00 -0.71 0.00 0.00 52.86 54.48 2yro s ASN 40 Cb -0.15 -2.57 0.86 0.00 0.41 0.00 0.00 41.25 39.79 2yro s ASN 40 CO 0.17 -0.36 1.86 0.00 -1.51 0.00 0.00 177.10 177.25 2yro h ALA 41 N 2.53 1.89 -0.73 0.60 0.00 -1.93 -0.55 119.26 121.06 2yro h ALA 41 Ca -0.48 0.02 -0.48 0.00 0.00 0.00 0.00 54.91 53.97 2yro h ALA 41 Cb 1.20 -0.10 -0.28 0.00 0.00 0.00 0.00 17.79 18.61 2yro h ALA 41 CO 0.63 -0.15 0.03 0.09 0.00 0.00 0.00 179.25 179.84 2yro n ASN 42 N -4.57 4.96 -4.68 0.00 3.02 -1.26 -4.68 115.26 108.05 2yro n ASN 42 Ca 0.18 -3.77 -0.42 0.00 -0.03 0.00 0.00 54.58 50.55 2yro n ASN 42 Cb 0.53 -0.66 -0.03 0.00 -0.61 0.00 0.00 39.78 39.00 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 3.47 -0.05 5.41 0.00 -0.22 -4.97 121.76 121.86 2yro s ALA 43 Ca 0.54 0.17 -0.20 0.00 0.00 0.00 0.00 51.96 52.47 2yro s ALA 43 Cb 0.45 -3.30 -0.14 0.00 0.00 0.00 0.00 23.12 20.12 2yro s ALA 43 CO 0.02 -0.62 0.82 -0.22 0.00 0.00 0.00 175.76 175.75 2yro h LYS 44 N 7.22 -0.25 -1.26 0.00 3.64 -1.89 -3.47 116.57 120.56 2yro h LYS 44 Ca -0.30 0.02 0.23 0.00 -1.27 0.00 0.00 60.65 59.32 2yro h LYS 44 Cb 1.14 0.06 -0.24 0.00 -0.41 0.00 0.00 32.23 32.78 2yro h LYS 44 CO 0.85 0.13 0.85 -1.54 -2.27 0.00 0.00 179.45 177.47 2yro s SER 45 N -5.40 -0.12 0.46 4.20 1.04 -1.26 -3.26 113.70 109.36 2yro s SER 45 Ca -0.12 0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.42 2yro s SER 45 Cb 0.00 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 2yro s SER 45 CO 0.43 -0.14 0.03 0.72 0.98 0.00 0.00 173.24 175.26 2yro s PHE 46 N -1.54 1.95 0.01 5.02 -0.71 -1.25 -2.67 117.98 118.78 2yro s PHE 46 Ca 0.08 -0.99 -0.27 0.00 -1.04 0.00 0.00 56.93 54.71 2yro s PHE 46 Cb -0.01 -1.52 0.06 0.00 -1.21 0.00 0.00 43.02 40.35 2yro s PHE 46 CO -0.05 0.13 0.61 0.54 -1.34 0.00 0.00 175.22 175.12 2yro s ASN 47 N -3.77 -0.58 -0.19 1.98 4.22 0.46 -2.83 114.94 114.23 2yro s ASN 47 Ca 0.16 0.43 -0.01 0.00 -2.14 0.00 0.00 52.86 51.30 2yro s ASN 47 Cb 0.03 0.53 0.05 0.00 1.28 0.00 0.00 41.25 43.15 2yro s ASN 47 CO 0.08 -0.70 -0.01 -0.69 -2.04 0.00 0.00 177.10 173.75 2yro s VAL 48 N -1.98 0.91 -0.37 3.54 1.01 -0.98 -1.31 120.40 121.23 2yro s VAL 48 Ca -0.07 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 2yro s VAL 48 Cb -0.01 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 2yro s VAL 48 CO 0.03 -0.09 0.30 -1.81 0.00 0.00 0.00 175.10 173.53 2yro s ASP 49 N 1.69 6.11 -0.39 3.32 1.01 -0.09 -3.16 116.67 125.17 2yro s ASP 49 Ca -0.02 -0.57 -0.08 0.00 0.71 0.00 0.00 52.55 52.59 2yro s ASP 49 Cb -0.17 -2.16 0.06 0.00 1.01 0.00 0.00 42.92 41.66 2yro s ASP 49 CO -0.07 -0.35 0.20 -0.22 0.21 0.00 0.00 175.17 174.93 2yro s LEU 50 N 1.80 4.82 0.43 1.23 2.96 -1.04 -1.28 118.68 127.59 2yro s LEU 50 Ca 0.07 -1.32 0.04 0.00 -0.22 0.00 0.00 54.13 52.70 2yro s LEU 50 Cb -0.18 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 2yro s LEU 50 CO 0.11 -0.44 0.03 -1.48 -1.32 0.00 0.00 176.35 173.25 2yro s LEU 51 N 1.43 2.40 -0.13 -0.68 0.05 -1.23 0.03 118.68 120.54 2yro s LEU 51 Ca 0.02 -1.53 -0.04 0.00 0.05 0.00 0.00 54.13 52.63 2yro s LEU 51 Cb -0.21 -0.62 -0.03 0.00 -2.05 0.00 0.00 46.19 43.27 2yro s LEU 51 CO 0.03 -0.71 0.00 0.00 -0.55 0.00 0.00 176.35 175.12 2yro s ALA 52 N -2.95 3.22 -2.00 1.48 0.00 -1.15 -3.16 121.76 117.21 2yro s ALA 52 Ca 0.22 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.45 2yro s ALA 52 Cb 0.05 -1.62 0.35 0.00 0.00 0.00 0.00 23.12 21.91 2yro s ALA 52 CO 0.11 0.36 0.97 0.41 0.00 0.00 0.00 175.76 177.62 2yro n GLY 53 N 2.97 -0.71 0.14 0.00 0.00 -1.26 0.11 105.19 106.45 2yro n GLY 53 Ca -0.18 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.63 0.60 -0.00 1.61 4.76 -1.26 -4.68 118.16 118.56 2yro n LYS 54 Ca 0.04 0.18 0.03 0.00 -2.87 0.00 0.00 58.31 55.69 2yro n LYS 54 Cb 0.02 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.70 2yro n LYS 54 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2yro n SER 55 N -3.60 1.21 -3.26 4.39 7.64 -1.18 -5.02 113.62 113.81 2yro n SER 55 Ca -0.47 -0.46 -0.19 0.00 1.01 0.00 0.00 58.87 58.76 2yro n SER 55 Cb 0.93 1.07 0.08 0.00 -1.01 0.00 0.00 64.21 65.28 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 -1.28 -6.77 -4.28 1.43 4.01 0.31 -4.98 118.16 106.59 2yro n LYS 56 Ca 0.00 0.75 -0.32 0.00 -0.51 0.00 0.00 58.31 58.24 2yro n LYS 56 Cb 0.10 -5.55 -0.16 0.00 -0.51 0.00 0.00 35.03 28.91 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 -3.62 3.04 -0.47 4.39 1.01 -1.25 -4.84 116.67 114.93 2yro s ASP 57 Ca 0.34 -0.61 -0.27 0.00 0.71 0.00 0.00 52.55 52.72 2yro s ASP 57 Cb -0.15 -1.42 -0.04 0.00 1.01 0.00 0.00 42.92 42.32 2yro s ASP 57 CO 0.66 0.02 2.07 -0.63 0.21 0.00 0.00 175.17 177.49 2yro s ILE 58 N 1.16 3.23 0.07 0.77 1.01 -1.10 -2.92 121.20 123.42 2yro s ILE 58 Ca 0.01 0.17 -0.22 0.00 0.00 0.00 0.00 60.65 60.61 2yro s ILE 58 Cb -0.14 -3.47 -0.14 0.00 0.01 0.00 0.00 42.46 38.73 2yro s ILE 58 CO -0.09 -0.41 1.62 0.00 0.00 0.00 0.00 174.94 176.06 2yro h ALA 59 N 16.04 0.09 -3.41 9.38 0.00 -0.66 -2.72 119.26 137.98 2yro h ALA 59 Ca -0.29 -0.08 -0.46 0.00 0.00 0.00 0.00 54.91 54.08 2yro h ALA 59 Cb 1.21 -0.03 -0.34 0.00 0.00 0.00 0.00 17.79 18.63 2yro h ALA 59 CO 1.13 -0.34 -0.79 -1.17 0.00 0.00 0.00 179.25 178.08 2yro s LEU 60 N -9.90 1.40 -0.38 0.00 2.96 -1.17 -4.27 118.68 107.31 2yro s LEU 60 Ca -0.14 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.60 2yro s LEU 60 Cb 0.06 -0.62 0.11 0.00 0.50 0.00 0.00 46.19 46.23 2yro s LEU 60 CO 0.68 -0.03 0.11 -2.28 -1.32 0.00 0.00 176.35 173.51 2yro s HIS 61 N 0.94 3.27 -0.41 5.38 5.65 0.58 -2.51 115.29 128.19 2yro s HIS 61 Ca -0.10 -2.84 -0.07 0.00 0.25 0.00 0.00 55.06 52.29 2yro s HIS 61 Cb -0.15 -2.69 0.08 0.00 -1.18 0.00 0.00 32.58 28.65 2yro s HIS 61 CO 0.01 -0.89 0.22 -0.51 -0.65 0.00 0.00 174.74 172.92 2yro s LEU 62 N 0.71 5.07 -0.44 8.88 1.43 -1.19 -1.30 118.68 131.84 2yro s LEU 62 Ca 0.13 -1.62 -0.02 0.00 -1.03 0.00 0.00 54.13 51.59 2yro s LEU 62 Cb -0.21 -1.92 0.12 0.00 0.03 0.00 0.00 46.19 44.21 2yro s LEU 62 CO -0.08 -0.52 0.22 0.21 0.23 0.00 0.00 176.35 176.42 2yro s ASN 63 N 1.99 5.16 0.96 2.29 3.04 -0.23 -2.31 114.94 125.83 2yro s ASN 63 Ca 0.03 -2.21 -0.12 0.00 0.04 0.00 0.00 52.86 50.60 2yro s ASN 63 Cb -0.23 -1.80 0.17 0.00 -1.54 0.00 0.00 41.25 37.85 2yro s ASN 63 CO 0.00 -0.49 1.09 -2.16 -3.04 0.00 0.00 177.10 172.51 2yro s PRO 64 N 0.87 0.75 -0.10 0.43 0.04 -1.13 -2.70 135.00 133.17 2yro s PRO 64 Ca 0.10 0.64 -0.08 0.00 0.04 0.00 0.00 61.00 61.70 2yro s PRO 64 Cb -0.22 -1.76 0.03 0.00 0.04 0.00 0.00 34.50 32.58 2yro s PRO 64 CO -0.04 -2.54 0.26 1.03 0.04 0.00 0.00 177.00 175.74 2yro s ARG 65 N -4.95 0.28 -0.22 4.56 0.52 -0.95 -3.93 118.95 114.26 2yro s ARG 65 Ca 0.65 0.40 -0.06 0.00 -0.52 0.00 0.00 55.73 56.19 2yro s ARG 65 Cb -0.18 0.09 -0.11 0.00 0.52 0.00 0.00 34.95 35.27 2yro s ARG 65 CO 0.57 -0.06 -0.25 1.28 0.02 0.00 0.00 175.30 176.86 2yro n LEU 66 N 3.21 2.11 -0.33 2.53 4.77 -1.20 -2.43 117.00 125.65 2yro n LEU 66 Ca -0.15 0.13 0.18 0.00 -0.03 0.00 0.00 56.01 56.13 2yro n LEU 66 Cb 0.57 -0.69 0.35 0.00 -2.33 0.00 0.00 43.42 41.32 2yro n LEU 66 CO 0.17 0.61 0.86 -1.13 -1.33 0.00 0.00 177.39 176.58 2yro h ASN 67 N -0.51 -0.28 -0.00 -1.43 -1.24 -1.90 -0.05 115.58 110.17 2yro h ASN 67 Ca -0.53 0.27 0.00 0.00 0.71 0.00 0.00 56.30 56.75 2yro h ASN 67 Cb 1.59 0.43 0.00 0.00 0.73 0.00 0.00 38.32 41.06 2yro h ASN 67 CO -0.24 -0.35 -0.33 2.30 -1.29 0.00 0.00 177.43 177.51 2yro n ILE 68 N -5.42 0.00 -3.43 2.57 -5.35 -1.26 -5.01 119.36 101.46 2yro n ILE 68 Ca 0.26 -0.33 -0.20 0.00 -0.27 0.00 0.00 62.75 62.20 2yro n ILE 68 Cb 0.85 1.03 0.07 0.00 -1.74 0.00 0.00 39.64 39.85 2yro n ILE 68 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2yro n LYS 69 N -0.96 -6.82 -4.49 6.28 5.02 -0.04 -5.00 118.16 112.15 2yro n LYS 69 Ca 0.02 0.73 -0.33 0.00 -2.02 0.00 0.00 58.31 56.71 2yro n LYS 69 Cb 0.14 -5.47 -0.15 0.00 -0.02 0.00 0.00 35.03 29.53 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 -3.29 2.51 -0.36 7.82 0.00 -1.02 -4.76 121.76 122.66 2yro s ALA 70 Ca 0.43 -1.05 -0.21 0.00 0.00 0.00 0.00 51.96 51.13 2yro s ALA 70 Cb -0.19 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.69 2yro s ALA 70 CO 0.64 -0.05 0.65 0.12 0.00 0.00 0.00 175.76 177.12 2yro s PHE 71 N 0.84 3.14 -0.21 0.00 2.19 -1.26 -2.24 117.98 120.45 2yro s PHE 71 Ca -0.05 0.35 -0.11 0.00 0.33 0.00 0.00 56.93 57.45 2yro s PHE 71 Cb -0.15 -3.18 -0.05 0.00 -1.31 0.00 0.00 43.02 38.33 2yro s PHE 71 CO -0.00 -0.65 0.17 0.08 1.83 0.00 0.00 175.22 176.64 2yro s VAL 72 N 2.76 5.38 -0.06 3.12 1.01 -1.10 -3.95 120.40 127.55 2yro s VAL 72 Ca 0.25 0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.48 2yro s VAL 72 Cb -0.14 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.75 2yro s VAL 72 CO 0.15 0.40 -0.03 0.00 0.00 0.00 0.00 175.10 175.62 2yro s ARG 73 N 0.60 0.83 0.35 2.72 1.70 -1.14 -1.07 118.95 122.94 2yro s ARG 73 Ca 0.09 -0.04 -0.13 0.00 -0.47 0.00 0.00 55.73 55.19 2yro s ARG 73 Cb -0.12 -0.98 0.03 0.00 -0.57 0.00 0.00 34.95 33.31 2yro s ARG 73 CO 0.01 -0.19 0.66 1.21 -1.08 0.00 0.00 175.30 175.91 2yro s ASN 74 N 1.43 0.20 0.04 -2.89 2.47 -0.42 -3.15 114.94 112.63 2yro s ASN 74 Ca -0.03 -1.14 0.06 0.00 0.42 0.00 0.00 52.86 52.17 2yro s ASN 74 Cb -0.13 0.76 -0.02 0.00 -1.45 0.00 0.00 41.25 40.40 2yro s ASN 74 CO -0.03 -1.48 -0.17 -0.94 -3.72 0.00 0.00 177.10 170.76 2yro s SER 75 N -3.09 1.97 -0.38 -4.21 1.04 -1.26 -0.31 113.70 107.46 2yro s SER 75 Ca 0.20 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 56.16 2yro s SER 75 Cb -0.04 -0.15 0.11 0.00 0.10 0.00 0.00 66.02 66.05 2yro s SER 75 CO 0.13 0.08 0.13 0.12 0.98 0.00 0.00 173.24 174.68 2yro s PHE 76 N -0.82 3.67 0.04 5.02 5.36 -1.03 -2.42 117.98 127.81 2yro s PHE 76 Ca 0.04 -2.79 0.07 0.00 -0.96 0.00 0.00 56.93 53.29 2yro s PHE 76 Cb -0.08 -3.04 -0.02 0.00 -0.34 0.00 0.00 43.02 39.53 2yro s PHE 76 CO 0.01 -0.95 -0.20 -0.51 -1.46 0.00 0.00 175.22 172.11 2yro s LEU 77 N 0.91 2.16 -1.52 6.12 1.43 -0.89 -2.72 118.68 124.18 2yro s LEU 77 Ca 0.10 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 2yro s LEU 77 Cb -0.21 -0.96 0.08 0.00 0.03 0.00 0.00 46.19 45.13 2yro s LEU 77 CO -0.06 0.16 0.93 0.00 0.23 0.00 0.00 176.35 177.60 2yro n GLN 78 N 1.87 -5.23 -3.90 1.70 6.02 -1.26 -0.86 117.38 115.73 2yro n GLN 78 Ca -0.17 0.58 -0.31 0.00 -0.01 0.00 0.00 57.00 57.09 2yro n GLN 78 Cb 0.53 -5.40 0.01 0.00 1.02 0.00 0.00 30.24 26.40 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 -4.62 -4.78 -3.79 -1.09 1.02 -1.26 -4.96 120.64 101.17 2yro n GLU 79 Ca 0.00 0.54 -0.13 0.00 -0.02 0.00 0.00 57.16 57.56 2yro n GLU 79 Cb 0.54 -5.39 -0.13 0.00 -0.02 0.00 0.00 31.44 26.44 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 -3.21 -0.14 -0.03 1.62 0.01 -0.03 -5.14 113.70 106.77 2yro s SER 80 Ca 0.65 0.31 -0.20 0.00 1.31 0.00 0.00 55.95 58.01 2yro s SER 80 Cb -0.33 0.26 -0.05 0.00 0.21 0.00 0.00 66.02 66.10 2yro s SER 80 CO 0.80 -0.10 0.58 0.26 0.41 0.00 0.00 173.24 175.20 2yro s TRP 81 N 0.59 3.64 0.00 2.43 0.52 -1.26 -2.09 118.94 122.77 2yro s TRP 81 Ca -0.04 1.14 0.00 0.00 0.02 0.00 0.00 56.10 57.22 2yro s TRP 81 Cb -0.06 -2.62 0.00 0.00 -1.15 0.00 0.00 33.47 29.64 2yro s TRP 81 CO -0.03 0.29 0.00 0.41 0.02 0.00 0.00 176.95 177.64 2yro n GLY 82 N 2.67 -1.49 3.15 0.98 0.00 -1.01 -4.90 105.19 104.59 2yro n GLY 82 Ca -0.06 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 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 3.36 -0.10 1.61 2.12 -1.26 -5.01 118.70 119.41 2yro s GLU 83 Ca 0.00 -3.18 -0.40 0.00 0.36 0.00 0.00 54.97 51.74 2yro s GLU 83 Cb 0.00 -4.04 -0.18 0.00 0.26 0.00 0.00 34.13 30.17 2yro s GLU 83 CO 0.00 -1.25 1.34 0.39 -0.54 0.00 0.00 175.26 175.20 2yro n GLU 84 N 2.53 0.51 -3.78 4.30 1.02 -1.26 -4.95 120.64 119.00 2yro n GLU 84 Ca 0.20 0.18 -0.19 0.00 -0.02 0.00 0.00 57.16 57.33 2yro n GLU 84 Cb 0.38 -1.75 -0.17 0.00 -0.02 0.00 0.00 31.44 29.87 2yro n GLU 84 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2yro s GLU 85 N 1.19 0.19 -0.52 3.49 2.56 -1.19 -5.02 118.70 119.41 2yro s GLU 85 Ca 0.93 0.21 0.04 0.00 0.00 0.00 0.00 54.97 56.14 2yro s GLU 85 Cb -1.19 -0.58 0.13 0.00 2.00 0.00 0.00 34.13 34.50 2yro s GLU 85 CO 0.60 -0.25 0.27 -0.98 -0.56 0.00 0.00 175.26 174.34 2yro s ARG 86 N 1.66 1.93 -0.47 4.30 1.70 -1.26 -2.89 118.95 123.92 2yro s ARG 86 Ca -0.01 -2.60 0.03 0.00 -0.47 0.00 0.00 55.73 52.68 2yro s ARG 86 Cb -0.13 -3.21 0.14 0.00 -0.57 0.00 0.00 34.95 31.18 2yro s ARG 86 CO -0.03 -1.13 0.27 -0.80 -1.08 0.00 0.00 175.30 172.53 2yro s ASN 87 N -0.29 3.64 -0.08 -2.89 -0.87 -1.25 -4.78 114.94 108.41 2yro s ASN 87 Ca 0.18 -2.79 0.01 0.00 -1.57 0.00 0.00 52.86 48.68 2yro s ASN 87 Cb -0.25 -1.08 -0.03 0.00 -0.02 0.00 0.00 41.25 39.87 2yro s ASN 87 CO -0.01 -0.24 -0.08 -0.51 -2.57 0.00 0.00 177.10 173.69 2yro s ILE 88 N 0.13 3.61 0.16 0.60 2.07 -1.26 -5.00 121.20 121.51 2yro s ILE 88 Ca 0.19 -0.50 -0.01 0.00 -1.41 0.00 0.00 60.65 58.92 2yro s ILE 88 Cb -0.20 -2.49 -0.13 0.00 0.13 0.00 0.00 42.46 39.77 2yro s ILE 88 CO -0.03 0.58 1.39 0.00 -1.91 0.00 0.00 174.94 174.98 2yro h THR 89 N 4.44 1.42 -2.57 4.00 1.03 -1.99 -3.46 112.91 115.78 2yro h THR 89 Ca -0.45 -2.33 -0.10 0.00 -0.01 0.00 0.00 66.41 63.52 2yro h THR 89 Cb 1.18 2.28 -0.24 0.00 -1.07 0.00 0.00 68.15 70.29 2yro h THR 89 CO 0.54 0.69 -0.19 -0.55 -0.01 0.00 0.00 175.52 176.00 2yro s SER 90 N -6.98 -0.53 -0.57 0.00 0.15 -1.26 -5.12 113.70 99.39 2yro s SER 90 Ca -0.05 0.97 -0.15 0.00 0.70 0.00 0.00 55.95 57.42 2yro s SER 90 Cb 0.10 0.94 0.14 0.00 -1.71 0.00 0.00 66.02 65.49 2yro s SER 90 CO 0.84 -0.18 0.52 0.12 1.20 0.00 0.00 173.24 175.75 2yro s PHE 91 N 0.66 3.32 0.15 3.44 5.36 -1.26 -4.92 117.98 124.73 2yro s PHE 91 Ca -0.03 -1.42 -0.11 0.00 -0.96 0.00 0.00 56.93 54.41 2yro s PHE 91 Cb -0.05 -3.78 -0.03 0.00 -0.34 0.00 0.00 43.02 38.82 2yro s PHE 91 CO -0.04 -1.01 1.48 -1.00 -1.46 0.00 0.00 175.22 173.18 2yro h PRO 92 N 8.72 0.93 -6.15 10.12 0.13 -1.99 -3.45 132.00 140.30 2yro h PRO 92 Ca -0.24 -0.49 -0.71 0.00 -0.87 0.00 0.00 66.00 63.69 2yro h PRO 92 Cb 1.09 0.02 0.07 0.00 0.13 0.00 0.00 31.00 32.30 2yro h PRO 92 CO 0.99 1.15 0.13 1.19 -0.23 0.00 0.00 178.00 181.23 2yro n PHE 93 N -4.06 0.87 -3.84 1.56 3.72 -1.26 -4.97 117.46 109.48 2yro n PHE 93 Ca -0.02 0.85 -0.12 0.00 -0.05 0.00 0.00 57.45 58.11 2yro n PHE 93 Cb 0.55 -2.18 -0.11 0.00 -0.94 0.00 0.00 39.48 36.80 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 -0.03 -0.07 -0.06 4.37 0.01 -1.26 -5.00 113.70 111.66 2yro s SER 94 Ca 0.81 0.02 -0.30 0.00 1.31 0.00 0.00 55.95 57.79 2yro s SER 94 Cb -1.04 0.28 -0.05 0.00 0.21 0.00 0.00 66.02 65.42 2yro s SER 94 CO 0.53 -0.27 1.50 -2.16 0.41 0.00 0.00 173.24 173.25 2yro s PRO 95 N -0.87 4.22 0.00 12.44 0.04 -1.26 -3.37 135.00 146.20 2yro s PRO 95 Ca -0.10 2.02 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2yro s PRO 95 Cb -0.05 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.68 2yro s PRO 95 CO 0.01 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.72 2yro n GLY 96 N 3.88 0.69 3.36 0.56 0.00 -0.12 -4.64 105.19 108.91 2yro n GLY 96 Ca 0.15 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 2yro n GLY 96 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2yro s MET 97 N -3.92 1.48 -0.25 1.61 0.23 -1.22 -4.95 119.30 112.29 2yro s MET 97 Ca 0.00 -1.61 -0.07 0.00 -1.03 0.00 0.00 55.69 52.98 2yro s MET 97 Cb 0.00 0.36 -0.03 0.00 -1.53 0.00 0.00 34.83 33.63 2yro s MET 97 CO 0.00 -0.56 0.07 -0.47 -2.03 0.00 0.00 175.02 172.03 2yro s TYR 98 N -3.85 3.09 -0.04 3.16 6.14 -1.26 -1.84 117.35 122.75 2yro s TYR 98 Ca 0.34 -0.41 0.07 0.00 0.64 0.00 0.00 57.07 57.70 2yro s TYR 98 Cb 0.03 -2.23 -0.01 0.00 0.42 0.00 0.00 41.96 40.16 2yro s TYR 98 CO 0.15 -0.35 -0.25 -0.59 0.64 0.00 0.00 175.55 175.15 2yro s PHE 99 N 1.59 2.34 -0.22 4.97 -0.12 -1.23 -4.93 117.98 120.38 2yro s PHE 99 Ca 0.06 -0.60 0.02 0.00 -0.05 0.00 0.00 56.93 56.36 2yro s PHE 99 Cb -0.15 -1.53 0.04 0.00 -0.63 0.00 0.00 43.02 40.76 2yro s PHE 99 CO 0.04 -0.14 -0.14 -2.00 -0.05 0.00 0.00 175.22 172.93 2yro s GLU 100 N -0.33 2.42 -0.21 1.99 2.12 -1.26 -3.59 118.70 119.84 2yro s GLU 100 Ca 0.02 -1.05 -0.13 0.00 0.36 0.00 0.00 54.97 54.16 2yro s GLU 100 Cb -0.12 -2.66 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 2yro s GLU 100 CO 0.02 -0.42 0.28 1.41 -0.54 0.00 0.00 175.26 176.01 2yro s MET 101 N 1.24 4.15 -0.36 4.30 -2.45 -1.11 -1.47 119.30 123.60 2yro s MET 101 Ca -0.03 -0.01 -0.02 0.00 -1.25 0.00 0.00 55.69 54.39 2yro s MET 101 Cb -0.17 -3.52 0.08 0.00 1.25 0.00 0.00 34.83 32.48 2yro s MET 101 CO -0.08 0.05 0.12 0.42 1.05 0.00 0.00 175.02 176.58 2yro s ILE 102 N 1.05 3.15 -0.44 10.11 1.09 -0.69 -0.82 121.20 134.65 2yro s ILE 102 Ca 0.14 -1.78 -0.22 0.00 -1.10 0.00 0.00 60.65 57.69 2yro s ILE 102 Cb -0.14 -3.03 0.02 0.00 -1.06 0.00 0.00 42.46 38.26 2yro s ILE 102 CO 0.06 -0.45 0.71 -0.63 -0.10 0.00 0.00 174.94 174.53 2yro s ILE 103 N 1.18 4.74 -0.05 2.92 1.01 0.48 -3.30 121.20 128.18 2yro s ILE 103 Ca 0.03 0.28 0.04 0.00 0.00 0.00 0.00 60.65 61.00 2yro s ILE 103 Cb -0.21 -4.26 -0.02 0.00 0.01 0.00 0.00 42.46 37.98 2yro s ILE 103 CO -0.03 -0.65 -0.16 -0.47 0.00 0.00 0.00 174.94 173.64 2yro s TYR 104 N 3.04 2.65 -0.29 3.97 5.04 -1.22 -0.63 117.35 129.91 2yro s TYR 104 Ca 0.26 -0.22 -0.05 0.00 -2.44 0.00 0.00 57.07 54.63 2yro s TYR 104 Cb -0.13 -1.62 0.02 0.00 0.35 0.00 0.00 41.96 40.58 2yro s TYR 104 CO 0.21 0.14 0.04 0.00 -1.34 0.00 0.00 175.55 174.59 2yro n ASP 106 N 4.78 4.99 -1.94 0.00 2.03 -1.25 -0.07 116.55 125.09 2yro n ASP 106 Ca -0.15 -3.11 -0.16 0.00 0.52 0.00 0.00 54.79 51.90 2yro n ASP 106 Cb 0.47 -0.69 -0.04 0.00 -0.72 0.00 0.00 41.12 40.14 2yro n ASP 106 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2yro n VAL 107 N 0.06 -0.37 0.00 5.18 0.31 -1.26 -4.67 118.33 117.58 2yro n VAL 107 Ca 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.66 2yro n VAL 107 Cb 1.24 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 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 -2.47 0.72 -3.79 5.55 5.12 -1.26 -5.09 116.66 115.44 2yro n ARG 108 Ca -0.17 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.75 2yro n ARG 108 Cb 0.58 -0.63 0.00 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 0.73 -0.44 5.56 -1.05 -1.26 -3.51 118.70 117.48 2yro s GLU 109 Ca 0.00 -0.44 -0.17 0.00 -0.15 0.00 0.00 54.97 54.21 2yro s GLU 109 Cb 0.00 0.23 0.04 0.00 -0.44 0.00 0.00 34.13 33.95 2yro s GLU 109 CO 0.00 -0.34 0.43 -0.06 0.95 0.00 0.00 175.26 176.24 2yro s PHE 110 N -2.41 3.18 0.21 4.83 0.08 0.11 -3.97 117.98 120.01 2yro s PHE 110 Ca 0.19 -0.57 -0.04 0.00 0.12 0.00 0.00 56.93 56.63 2yro s PHE 110 Cb 0.01 -2.99 -0.05 0.00 -0.57 0.00 0.00 43.02 39.42 2yro s PHE 110 CO -0.00 -0.75 0.45 0.15 -0.10 0.00 0.00 175.22 174.97 2yro s LYS 111 N 2.00 3.61 -0.22 0.44 1.02 -1.19 -2.85 119.74 122.55 2yro s LYS 111 Ca 0.09 -0.11 -0.05 0.00 0.02 0.00 0.00 55.97 55.92 2yro s LYS 111 Cb -0.19 -2.77 0.11 0.00 -0.52 0.00 0.00 37.83 34.46 2yro s LYS 111 CO 0.11 0.36 0.40 0.54 -0.92 0.00 0.00 175.35 175.84 2yro s VAL 112 N -1.86 -0.62 -0.07 3.17 0.11 -1.26 -3.45 120.40 116.42 2yro s VAL 112 Ca 0.42 0.06 0.05 0.00 -2.93 0.00 0.00 61.98 59.58 2yro s VAL 112 Cb -0.11 -0.73 -0.01 0.00 -1.53 0.00 0.00 36.38 34.00 2yro s VAL 112 CO 0.27 -0.02 -0.24 0.00 -3.33 0.00 0.00 175.10 171.78 2yro s ALA 113 N 2.58 2.09 -0.06 1.54 0.00 -1.21 -2.77 121.76 123.93 2yro s ALA 113 Ca 0.06 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 2yro s ALA 113 Cb -0.14 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 2yro s ALA 113 CO -0.14 0.36 0.05 0.08 0.00 0.00 0.00 175.76 176.11 2yro s VAL 114 N 0.03 4.63 -1.46 0.00 1.01 0.59 -1.70 120.40 123.50 2yro s VAL 114 Ca -0.09 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 2yro s VAL 114 Cb -0.15 -3.02 0.14 0.00 0.00 0.00 0.00 36.38 33.35 2yro s VAL 114 CO 0.05 0.51 0.58 0.59 0.00 0.00 0.00 175.10 176.84 2yro n ASN 115 N 1.77 -2.81 -1.99 3.32 3.02 -0.54 0.43 115.26 118.45 2yro n ASN 115 Ca -0.17 -0.75 -0.12 0.00 -0.03 0.00 0.00 54.58 53.51 2yro n ASN 115 Cb 0.53 -2.36 0.04 0.00 -0.61 0.00 0.00 39.78 37.38 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 -1.15 0.16 3.10 7.41 0.00 -1.26 -5.03 105.19 108.41 2yro n GLY 116 Ca 0.06 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.09 -0.56 0.09 1.61 1.01 0.17 -5.12 120.40 114.50 2yro s VAL 117 Ca 0.27 0.13 -0.31 0.00 0.00 0.00 0.00 61.98 62.07 2yro s VAL 117 Cb -0.12 -0.64 -0.09 0.00 0.00 0.00 0.00 36.38 35.54 2yro s VAL 117 CO 0.33 0.03 1.66 -2.28 0.00 0.00 0.00 175.10 174.84 2yro s HIS 118 N 2.53 2.50 -0.12 5.22 2.46 -1.26 -0.30 115.29 126.33 2yro s HIS 118 Ca 0.03 0.33 -0.09 0.00 0.47 0.00 0.00 55.06 55.79 2yro s HIS 118 Cb -0.13 -3.99 -0.03 0.00 -0.13 0.00 0.00 32.58 28.30 2yro s HIS 118 CO -0.12 -3.92 -0.17 0.43 -2.47 0.00 0.00 174.74 168.48 2yro n SER 119 N 5.32 1.42 -3.30 9.88 7.64 -1.12 -4.92 113.62 128.55 2yro n SER 119 Ca 0.16 0.47 -0.18 0.00 1.01 0.00 0.00 58.87 60.33 2yro n SER 119 Cb 0.40 -0.76 -0.07 0.00 -1.01 0.00 0.00 64.21 62.77 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 -7.33 1.50 0.05 -3.43 -0.00 -1.26 -4.77 118.68 103.44 2yro s LEU 120 Ca -0.14 -1.68 0.03 0.00 -0.00 0.00 0.00 54.13 52.34 2yro s LEU 120 Cb 0.02 0.88 -0.02 0.00 -0.00 0.00 0.00 46.19 47.06 2yro s LEU 120 CO 0.21 -1.15 -0.09 -1.61 -0.00 0.00 0.00 176.35 173.71 2yro s GLU 121 N -3.28 0.59 -0.13 1.48 2.02 -1.26 -4.08 118.70 114.04 2yro s GLU 121 Ca 0.37 -0.79 -0.04 0.00 0.02 0.00 0.00 54.97 54.53 2yro s GLU 121 Cb 0.01 -0.42 0.07 0.00 0.10 0.00 0.00 34.13 33.89 2yro s GLU 121 CO 0.25 0.08 0.21 -0.47 0.02 0.00 0.00 175.26 175.35 2yro s TYR 122 N -1.33 -0.28 0.51 1.61 6.14 -1.13 -5.05 117.35 117.82 2yro s TYR 122 Ca -0.08 0.61 -0.21 0.00 0.64 0.00 0.00 57.07 58.03 2yro s TYR 122 Cb -0.10 -0.22 -0.09 0.00 0.42 0.00 0.00 41.96 41.97 2yro s TYR 122 CO 0.01 -0.39 0.80 1.63 0.64 0.00 0.00 175.55 178.23 2yro n LYS 123 N 5.33 0.88 -1.47 4.97 5.02 -1.26 0.06 118.16 131.70 2yro n LYS 123 Ca -0.05 0.33 -0.46 0.00 -2.02 0.00 0.00 58.31 56.11 2yro n LYS 123 Cb 0.50 -1.90 -0.09 0.00 -0.02 0.00 0.00 35.03 33.52 2yro n LYS 123 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2yro n HIS 124 N -1.20 1.27 -0.01 2.13 8.25 -1.23 -4.49 115.22 119.94 2yro n HIS 124 Ca 0.11 0.31 -0.17 0.00 -0.26 0.00 0.00 57.72 57.71 2yro n HIS 124 Cb 0.44 -2.50 -0.12 0.00 1.12 0.00 0.00 29.99 28.92 2yro n HIS 124 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2yro h ARG 125 N 13.63 0.22 -5.60 -0.41 2.47 -1.84 -3.44 114.38 119.42 2yro h ARG 125 Ca -0.20 -0.28 -0.60 0.00 -1.26 0.00 0.00 59.98 57.64 2yro h ARG 125 Cb 1.31 0.09 -0.10 0.00 -1.65 0.00 0.00 29.97 29.62 2yro h ARG 125 CO 1.15 1.05 0.23 0.12 0.56 0.00 0.00 179.97 183.08 2yro s PHE 126 N -2.80 3.30 0.07 3.04 5.36 -1.26 -4.97 117.98 120.72 2yro s PHE 126 Ca -0.15 0.91 -0.33 0.00 -0.96 0.00 0.00 56.93 56.40 2yro s PHE 126 Cb 0.01 -2.89 -0.19 0.00 -0.34 0.00 0.00 43.02 39.61 2yro s PHE 126 CO 0.77 -0.32 1.61 0.87 -1.46 0.00 0.00 175.22 176.69 2yro h LYS 127 N 7.78 -0.89 -6.34 10.12 6.56 -1.99 -3.38 116.57 128.44 2yro h LYS 127 Ca -0.27 0.06 -0.54 0.00 -1.06 0.00 0.00 60.65 58.85 2yro h LYS 127 Cb 1.12 0.20 -0.07 0.00 -0.57 0.00 0.00 32.23 32.92 2yro h LYS 127 CO 0.80 -0.59 1.11 -2.00 -2.06 0.00 0.00 179.45 176.71 2yro s GLU 128 N -6.01 3.17 0.17 3.15 2.56 -1.26 -4.83 118.70 115.65 2yro s GLU 128 Ca -0.18 0.17 0.13 0.00 0.00 0.00 0.00 54.97 55.08 2yro s GLU 128 Cb 0.03 -4.18 -0.08 0.00 2.00 0.00 0.00 34.13 31.90 2yro s GLU 128 CO 0.61 -2.13 1.23 -0.07 -0.56 0.00 0.00 175.26 174.35 2yro h LEU 129 N 13.48 0.00 -1.71 2.70 3.38 -1.89 -3.26 115.31 128.02 2yro h LEU 129 Ca -0.27 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 2yro h LEU 129 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2yro h LEU 129 CO 1.23 0.71 0.03 -0.24 0.09 0.00 0.00 178.44 180.26 2yro n SER 130 N -3.20 2.21 -0.06 -0.43 2.88 -1.23 -3.44 113.62 110.36 2yro n SER 130 Ca -0.02 -2.16 -0.08 0.00 -1.33 0.00 0.00 58.87 55.28 2yro n SER 130 Cb 0.84 -0.53 -0.06 0.00 -0.75 0.00 0.00 64.21 63.71 2yro n SER 130 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yro n SER 131 N 0.16 2.92 -4.53 -3.46 7.64 -1.23 -4.77 113.62 110.35 2yro n SER 131 Ca 0.06 -0.05 -0.39 0.00 1.01 0.00 0.00 58.87 59.50 2yro n SER 131 Cb 0.49 0.06 -0.07 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 -2.72 -0.03 -0.03 0.44 5.41 -1.22 -4.09 119.36 117.11 2yro n ILE 132 Ca -0.20 -0.50 -0.04 0.00 1.00 0.00 0.00 62.75 63.01 2yro n ILE 132 Cb 0.76 -1.98 -0.03 0.00 -0.71 0.00 0.00 39.64 37.68 2yro n ILE 132 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2yro n ASP 133 N 13.73 3.62 -4.85 4.38 9.92 -1.25 -1.92 116.55 140.18 2yro n ASP 133 Ca 0.47 -0.03 -0.35 0.00 -0.53 0.00 0.00 54.79 54.35 2yro n ASP 133 Cb 0.36 -0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.78 2yro n ASP 133 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2yro s THR 134 N -2.11 4.82 -0.26 -3.53 2.01 -1.19 -0.29 115.64 115.09 2yro s THR 134 Ca -0.07 0.83 -0.01 0.00 0.31 0.00 0.00 61.69 62.75 2yro s THR 134 Cb 0.02 -3.72 0.08 0.00 0.01 0.00 0.00 72.50 68.89 2yro s THR 134 CO 0.13 0.16 0.05 -0.22 -0.69 0.00 0.00 174.62 174.06 2yro s LEU 135 N -2.16 1.98 -0.12 4.42 2.96 0.45 -3.57 118.68 122.65 2yro s LEU 135 Ca 0.41 -1.30 -0.06 0.00 -0.22 0.00 0.00 54.13 52.96 2yro s LEU 135 Cb -0.14 -0.84 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 2yro s LEU 135 CO 0.20 -0.35 0.11 -1.61 -1.32 0.00 0.00 176.35 173.38 2yro s GLU 136 N 1.65 3.38 -0.08 1.98 2.02 -0.41 -2.35 118.70 124.89 2yro s GLU 136 Ca 0.04 -0.20 -0.07 0.00 0.02 0.00 0.00 54.97 54.76 2yro s GLU 136 Cb -0.17 -3.12 0.02 0.00 0.10 0.00 0.00 34.13 30.96 2yro s GLU 136 CO -0.16 0.74 0.21 0.42 0.02 0.00 0.00 175.26 176.49 2yro s ILE 137 N -0.92 -0.00 0.25 -1.63 1.01 0.37 -0.91 121.20 119.36 2yro s ILE 137 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 60.65 60.69 2yro s ILE 137 Cb -0.12 -0.30 -0.01 0.00 0.01 0.00 0.00 42.46 42.04 2yro s ILE 137 CO 0.03 0.00 0.42 0.21 0.00 0.00 0.00 174.94 175.60 2yro s ASN 138 N 0.12 0.03 0.00 3.58 3.84 -0.43 0.77 114.94 122.84 2yro s ASN 138 Ca -0.00 -1.05 0.00 0.00 0.21 0.00 0.00 52.86 52.02 2yro s ASN 138 Cb -0.02 0.56 0.00 0.00 -0.55 0.00 0.00 41.25 41.24 2yro s ASN 138 CO 0.00 -1.11 0.00 0.61 -2.79 0.00 0.00 177.10 173.82 2yro n GLY 139 N -0.38 1.00 2.14 1.21 0.00 -1.26 -0.41 105.19 107.49 2yro n GLY 139 Ca -0.01 -1.92 -0.27 0.00 0.00 0.00 0.00 46.02 43.82 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 2.96 6.58 -4.49 1.61 9.92 -1.09 -4.93 116.55 127.11 2yro n ASP 140 Ca 0.00 -3.48 -0.24 0.00 -0.53 0.00 0.00 54.79 50.54 2yro n ASP 140 Cb 0.00 -0.97 -0.10 0.00 -0.64 0.00 0.00 41.12 39.41 2yro n ASP 140 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 2yro s ILE 141 N -3.66 2.30 -0.38 0.53 -5.25 -1.26 -3.64 121.20 109.84 2yro s ILE 141 Ca 0.51 -2.30 -0.11 0.00 -0.99 0.00 0.00 60.65 57.77 2yro s ILE 141 Cb 0.41 -2.45 0.04 0.00 2.95 0.00 0.00 42.46 43.40 2yro s ILE 141 CO 0.01 -0.32 0.21 -2.28 -1.79 0.00 0.00 174.94 170.77 2yro s HIS 142 N -2.60 3.26 -0.01 1.37 5.65 -0.52 -4.91 115.29 117.53 2yro s HIS 142 Ca 0.31 -1.07 -0.30 0.00 0.25 0.00 0.00 55.06 54.25 2yro s HIS 142 Cb -0.01 -2.49 -0.04 0.00 -1.18 0.00 0.00 32.58 28.86 2yro s HIS 142 CO 0.15 -0.68 1.19 -1.17 -0.65 0.00 0.00 174.74 173.57 2yro s LEU 143 N 1.53 4.32 -0.16 8.88 2.96 -1.26 -2.62 118.68 132.32 2yro s LEU 143 Ca 0.02 1.87 -0.13 0.00 -0.22 0.00 0.00 54.13 55.67 2yro s LEU 143 Cb -0.20 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.88 2yro s LEU 143 CO 0.06 -0.52 -0.24 0.18 -1.32 0.00 0.00 176.35 174.50 2yro n LEU 144 N 4.68 1.87 -3.57 -0.68 4.77 -1.15 -1.55 117.00 121.37 2yro n LEU 144 Ca 0.10 0.50 -0.11 0.00 -0.03 0.00 0.00 56.01 56.47 2yro n LEU 144 Cb 0.47 -0.82 -0.05 0.00 -2.33 0.00 0.00 43.42 40.69 2yro n LEU 144 CO 0.55 -0.35 0.75 -0.70 -1.33 0.00 0.00 177.39 176.31 2yro s GLU 145 N -2.53 0.64 -0.03 3.23 2.12 -1.22 -4.20 118.70 116.71 2yro s GLU 145 Ca -0.22 0.11 0.07 0.00 0.36 0.00 0.00 54.97 55.29 2yro s GLU 145 Cb 0.03 0.30 -0.02 0.00 0.26 0.00 0.00 34.13 34.70 2yro s GLU 145 CO 0.32 -0.21 -0.23 0.08 -0.54 0.00 0.00 175.26 174.69 2yro s VAL 146 N -1.29 2.31 0.09 3.70 1.01 -1.26 -2.66 120.40 122.30 2yro s VAL 146 Ca -0.02 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.02 2yro s VAL 146 Cb -0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 2yro s VAL 146 CO 0.01 0.58 -0.16 -0.13 0.00 0.00 0.00 175.10 175.41 2yro s ARG 147 N -0.58 0.95 -0.23 2.72 0.52 -1.11 -5.03 118.95 116.19 2yro s ARG 147 Ca 0.09 -1.09 -0.03 0.00 -0.52 0.00 0.00 55.73 54.18 2yro s ARG 147 Cb -0.11 -0.98 0.12 0.00 0.52 0.00 0.00 34.95 34.50 2yro s ARG 147 CO -0.00 0.21 0.35 -1.54 0.02 0.00 0.00 175.30 174.34 2yro s SER 148 N -1.99 0.44 -0.01 0.23 1.04 -1.26 -0.35 113.70 111.79 2yro s SER 148 Ca 0.03 0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.69 2yro s SER 148 Cb -0.09 0.97 -0.01 0.00 0.10 0.00 0.00 66.02 67.00 2yro s SER 148 CO 0.03 -0.30 -0.13 -1.66 0.98 0.00 0.00 173.24 172.16 2yro s TRP 149 N 2.50 1.19 -0.19 5.02 -2.14 -0.59 -4.93 118.94 119.81 2yro s TRP 149 Ca 0.11 -0.24 -0.20 0.00 2.66 0.00 0.00 56.10 58.42 2yro s TRP 149 Cb -0.15 -0.78 -0.03 0.00 -3.10 0.00 0.00 33.47 29.41 2yro s TRP 149 CO -0.15 -0.04 0.61 -1.54 -2.66 0.00 0.00 176.95 173.17 2yro s SER 150 N -0.22 6.67 0.00 -2.66 1.04 -1.26 -2.17 113.70 115.10 2yro s SER 150 Ca 0.03 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.28 2yro s SER 150 Cb -0.06 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.72 2yro s SER 150 CO -0.00 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2yro n GLY 151 N 3.78 1.66 0.07 7.32 0.00 -1.21 -4.87 105.19 111.95 2yro n GLY 151 Ca -0.02 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 43.71 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 -4.12 1.61 0.13 -1.92 -3.47 132.00 124.18 2yro h PRO 152 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.94 2yro h PRO 152 Cb 0.00 0.01 -0.21 0.00 0.13 0.00 0.00 31.00 30.93 2yro h PRO 152 CO 0.00 0.42 -0.71 -1.12 -0.23 0.00 0.00 178.00 176.36 2yro s SER 153 N -5.63 0.39 0.06 1.44 0.01 -1.26 -5.07 113.70 103.64 2yro s SER 153 Ca -0.16 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.61 2yro s SER 153 Cb 0.02 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.33 2yro s SER 153 CO 0.65 -0.27 0.00 -0.24 0.41 0.00 0.00 173.24 173.79 2yro n SER 154 N 1.61 0.66 0.00 2.44 2.88 -1.26 -5.07 113.62 114.88 2yro n SER 154 Ca -0.23 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 2yro n SER 154 Cb 0.55 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 2yro n SER 154 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42