#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edy s SER 2 N 0.00 6.41 -0.15 1.61 0.01 -1.26 -4.98 113.70 115.34 2edy s SER 2 Ca 0.00 0.57 -0.02 0.00 1.31 0.00 0.00 55.95 57.81 2edy s SER 2 Cb 0.00 -2.08 0.01 0.00 0.21 0.00 0.00 66.02 64.16 2edy s SER 2 CO 0.00 -0.15 2.46 -1.54 0.41 0.00 0.00 173.24 174.42 2edy n SER 3 N -0.92 5.80 -3.64 2.44 3.41 -1.26 -4.71 113.62 114.73 2edy n SER 3 Ca -0.03 -2.72 -0.29 0.00 -0.26 0.00 0.00 58.87 55.57 2edy n SER 3 Cb 0.54 -1.19 -0.16 0.00 -0.26 0.00 0.00 64.21 63.15 2edy n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2edy s GLY 4 N 1.26 0.67 -0.15 5.00 0.00 -1.26 -4.02 107.32 108.81 2edy s GLY 4 Ca 0.31 -1.06 -0.02 0.00 0.00 0.00 0.00 44.72 43.95 2edy s GLY 4 CO -0.03 1.77 -0.16 -1.26 0.00 0.00 0.00 173.10 173.42 2edy n SER 5 N 5.10 2.25 -2.23 1.64 2.88 -1.26 -4.70 113.62 117.30 2edy n SER 5 Ca -0.06 0.01 -0.26 0.00 -1.33 0.00 0.00 58.87 57.23 2edy n SER 5 Cb 0.44 -0.32 0.02 0.00 -0.75 0.00 0.00 64.21 63.60 2edy n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2edy n SER 6 N -3.21 5.17 -2.04 -3.46 2.88 -1.26 -5.05 113.62 106.65 2edy n SER 6 Ca -0.28 -3.75 0.00 0.00 -1.33 0.00 0.00 58.87 53.51 2edy n SER 6 Cb 0.76 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 2edy n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2edy n GLY 7 N -0.64 -0.16 3.77 0.46 0.00 -1.24 -4.63 105.19 102.74 2edy n GLY 7 Ca 0.44 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 2edy n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edy s PRO 8 N -1.61 3.47 -0.59 1.61 0.04 -1.25 -4.87 135.00 131.79 2edy s PRO 8 Ca 0.00 1.65 0.02 0.00 0.04 0.00 0.00 61.00 62.71 2edy s PRO 8 Cb 0.00 -2.12 0.41 0.00 0.04 0.00 0.00 34.50 32.83 2edy s PRO 8 CO 0.00 -0.76 1.59 0.45 0.04 0.00 0.00 177.00 178.32 2edy n SER 9 N -1.07 6.22 -3.62 6.66 2.88 -1.23 -3.85 113.62 119.61 2edy n SER 9 Ca 0.10 -3.78 -0.04 0.00 -1.33 0.00 0.00 58.87 53.83 2edy n SER 9 Cb 0.50 -0.74 -0.03 0.00 -0.75 0.00 0.00 64.21 63.20 2edy n SER 9 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2edy s GLY 10 N -2.42 -0.17 0.23 0.46 0.00 -1.24 -4.72 107.32 99.46 2edy s GLY 10 Ca 0.53 2.01 0.08 0.00 0.00 0.00 0.00 44.72 47.34 2edy s GLY 10 CO -0.20 0.73 0.03 -0.11 0.00 0.00 0.00 173.10 173.55 2edy s PHE 11 N -1.89 2.82 1.19 1.90 -0.71 -1.26 -4.57 117.98 115.46 2edy s PHE 11 Ca 0.09 -0.17 -0.19 0.00 -1.04 0.00 0.00 56.93 55.62 2edy s PHE 11 Cb -0.01 -1.30 0.28 0.00 -1.21 0.00 0.00 43.02 40.78 2edy s PHE 11 CO -0.04 0.57 1.11 -1.25 -1.34 0.00 0.00 175.22 174.26 2edy s PRO 12 N -3.42 -1.14 0.42 1.99 0.04 -1.26 -4.66 135.00 126.97 2edy s PRO 12 Ca 0.30 -0.04 0.04 0.00 0.04 0.00 0.00 61.00 61.34 2edy s PRO 12 Cb -0.08 -1.60 -0.02 0.00 0.04 0.00 0.00 34.50 32.84 2edy s PRO 12 CO 0.20 -3.66 0.16 -0.65 0.04 0.00 0.00 177.00 173.09 2edy s GLN 13 N -5.38 1.99 -1.56 4.56 -1.52 -1.14 -4.82 119.66 111.79 2edy s GLN 13 Ca 0.71 -2.23 0.00 0.00 -1.95 0.00 0.00 55.36 51.89 2edy s GLN 13 Cb -0.10 -0.50 0.00 0.00 -0.22 0.00 0.00 33.01 32.19 2edy s GLN 13 CO 0.56 -0.55 0.00 0.09 -0.25 0.00 0.00 175.29 175.14 2edy n ASN 14 N -1.49 -4.97 -4.60 5.90 5.03 -1.26 0.05 115.26 113.93 2edy n ASN 14 Ca -0.05 0.15 -0.43 0.00 0.87 0.00 0.00 54.58 55.11 2edy n ASN 14 Cb 0.64 -4.02 -0.02 0.00 -1.02 0.00 0.00 39.78 35.36 2edy n ASN 14 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2edy s LEU 15 N -4.43 3.59 0.00 3.41 2.96 -1.26 -3.74 118.68 119.21 2edy s LEU 15 Ca 0.00 0.77 -0.10 0.00 -0.22 0.00 0.00 54.13 54.58 2edy s LEU 15 Cb 0.00 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.19 2edy s LEU 15 CO 0.00 -1.41 0.52 0.00 -1.32 0.00 0.00 176.35 174.14 2edy n HIS 16 N 8.69 -1.62 -3.99 5.38 1.44 -1.20 -4.95 115.22 118.97 2edy n HIS 16 Ca 0.16 -1.03 -0.35 0.00 -2.01 0.00 0.00 57.72 54.49 2edy n HIS 16 Cb 0.48 0.51 -0.13 0.00 0.12 0.00 0.00 29.99 30.98 2edy n HIS 16 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2edy s VAL 17 N -2.40 3.97 -0.37 0.61 1.01 -1.26 -1.27 120.40 120.69 2edy s VAL 17 Ca 0.11 -0.30 0.23 0.00 0.00 0.00 0.00 61.98 62.01 2edy s VAL 17 Cb -0.03 -2.81 0.22 0.00 0.00 0.00 0.00 36.38 33.77 2edy s VAL 17 CO 0.06 0.41 1.42 0.00 0.00 0.00 0.00 175.10 176.99 2edy h THR 18 N 5.44 0.02 -0.16 3.92 1.03 -1.82 -3.43 112.91 117.91 2edy h THR 18 Ca -0.37 -1.02 0.01 0.00 -0.01 0.00 0.00 66.41 65.01 2edy h THR 18 Cb 1.18 1.85 -0.15 0.00 -1.07 0.00 0.00 68.15 69.95 2edy h THR 18 CO 0.60 0.01 -0.11 0.61 -0.01 0.00 0.00 175.52 176.62 2edy n GLY 19 N 1.13 -1.73 3.46 2.99 0.00 -1.26 -5.07 105.19 104.70 2edy n GLY 19 Ca 0.03 1.29 -0.29 0.00 0.00 0.00 0.00 46.02 47.04 2edy n GLY 19 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2edy s LEU 20 N 0.89 0.18 0.12 0.99 2.34 -1.26 -3.22 118.68 118.72 2edy s LEU 20 Ca 0.24 1.13 -0.06 0.00 0.06 0.00 0.00 54.13 55.49 2edy s LEU 20 Cb 0.14 -2.87 -0.02 0.00 -0.56 0.00 0.00 46.19 42.88 2edy s LEU 20 CO -0.11 -4.51 0.16 -0.89 -1.06 0.00 0.00 176.35 169.95 2edy s THR 21 N -2.52 0.11 0.18 5.48 2.01 0.26 -4.75 115.64 116.41 2edy s THR 21 Ca 0.68 -1.53 -0.13 0.00 0.31 0.00 0.00 61.69 61.03 2edy s THR 21 Cb -0.18 -1.73 0.09 0.00 0.01 0.00 0.00 72.50 70.68 2edy s THR 21 CO 0.61 -0.52 1.74 0.71 -0.69 0.00 0.00 174.62 176.47 2edy h THR 22 N 2.75 0.81 0.00 -0.82 1.35 -1.92 -3.18 112.91 111.90 2edy h THR 22 Ca -0.33 -0.11 -0.33 0.00 -0.55 0.00 0.00 66.41 65.08 2edy h THR 22 Cb 1.20 0.47 -0.06 0.00 -1.73 0.00 0.00 68.15 68.03 2edy h THR 22 CO 0.55 0.06 -2.27 -1.20 -0.25 0.00 0.00 175.52 172.41 2edy n SER 23 N -5.03 1.98 -4.95 5.36 7.64 -1.26 -2.33 113.62 115.03 2edy n SER 23 Ca 0.05 -0.10 -0.20 0.00 1.01 0.00 0.00 58.87 59.62 2edy n SER 23 Cb 0.20 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2edy n SER 23 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2edy s THR 24 N -2.45 2.50 -0.21 0.44 -4.23 -1.24 -0.43 115.64 110.03 2edy s THR 24 Ca -0.27 -1.21 -0.05 0.00 -1.18 0.00 0.00 61.69 58.99 2edy s THR 24 Cb 0.07 -2.71 0.10 0.00 1.34 0.00 0.00 72.50 71.31 2edy s THR 24 CO 0.55 0.00 0.38 -0.89 -0.54 0.00 0.00 174.62 174.12 2edy s THR 25 N -2.52 -0.59 0.54 3.99 2.01 -1.03 0.90 115.64 118.94 2edy s THR 25 Ca 0.51 0.08 -0.16 0.00 0.31 0.00 0.00 61.69 62.43 2edy s THR 25 Cb -0.05 -0.69 -0.06 0.00 0.01 0.00 0.00 72.50 71.70 2edy s THR 25 CO 0.30 -0.00 1.01 -1.61 -0.69 0.00 0.00 174.62 173.63 2edy s GLU 26 N 2.55 3.76 0.14 4.92 2.02 -1.20 0.44 118.70 131.34 2edy s GLU 26 Ca 0.05 1.00 0.00 0.00 0.02 0.00 0.00 54.97 56.03 2edy s GLU 26 Cb -0.13 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.95 2edy s GLU 26 CO -0.13 -0.43 0.03 -0.51 0.02 0.00 0.00 175.26 174.23 2edy s LEU 27 N -4.28 1.96 -0.30 1.80 1.43 0.26 -3.87 118.68 115.67 2edy s LEU 27 Ca 0.60 -1.18 -0.08 0.00 -1.03 0.00 0.00 54.13 52.44 2edy s LEU 27 Cb -0.11 0.15 0.18 0.00 0.03 0.00 0.00 46.19 46.44 2edy s LEU 27 CO 0.35 -0.66 0.88 0.00 0.23 0.00 0.00 176.35 177.16 2edy s ALA 28 N -3.88 -3.09 0.36 4.21 0.00 -0.39 -3.64 121.76 115.33 2edy s ALA 28 Ca 0.23 1.52 0.02 0.00 0.00 0.00 0.00 51.96 53.73 2edy s ALA 28 Cb 0.07 -2.44 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 2edy s ALA 28 CO 0.02 -1.52 0.08 -2.67 0.00 0.00 0.00 175.76 171.67 2edy n TRP 29 N 5.42 0.41 -4.41 0.00 2.14 -0.44 -3.22 117.44 117.34 2edy n TRP 29 Ca -0.03 -2.10 -0.21 0.00 2.07 0.00 0.00 57.50 57.24 2edy n TRP 29 Cb 0.53 -0.10 -0.10 0.00 -0.81 0.00 0.00 31.31 30.83 2edy n TRP 29 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 2edy s ASP 30 N -3.12 2.76 0.63 -0.67 1.11 0.11 -4.70 116.67 112.79 2edy s ASP 30 Ca 0.11 -1.14 -0.16 0.00 0.18 0.00 0.00 52.55 51.53 2edy s ASP 30 Cb 0.01 -0.17 -0.02 0.00 1.07 0.00 0.00 42.92 43.81 2edy s ASP 30 CO 0.08 -0.28 1.11 -2.16 1.18 0.00 0.00 175.17 175.10 2edy s PRO 31 N -3.70 2.95 0.46 8.23 0.04 -1.26 -2.87 135.00 138.85 2edy s PRO 31 Ca 0.28 1.45 -0.23 0.00 0.04 0.00 0.00 61.00 62.54 2edy s PRO 31 Cb 0.02 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 2edy s PRO 31 CO 0.11 -1.14 1.16 -1.25 0.04 0.00 0.00 177.00 175.92 2edy s PRO 32 N -3.89 3.74 0.11 0.56 0.04 -1.26 -4.43 135.00 129.87 2edy s PRO 32 Ca 0.68 1.76 -0.32 0.00 0.04 0.00 0.00 61.00 63.16 2edy s PRO 32 Cb -0.21 -2.38 -0.12 0.00 0.04 0.00 0.00 34.50 31.82 2edy s PRO 32 CO 0.38 -0.57 1.77 1.33 0.04 0.00 0.00 177.00 179.95 2edy n VAL 33 N -0.53 0.28 -0.43 -0.36 0.24 -1.26 -4.66 118.33 111.61 2edy n VAL 33 Ca 0.07 -0.05 0.34 0.00 -2.04 0.00 0.00 64.34 62.66 2edy n VAL 33 Cb 0.48 -1.93 0.54 0.00 -1.47 0.00 0.00 33.84 31.46 2edy n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2edy n LEU 34 N 5.11 0.07 0.02 1.34 -0.00 -1.26 -0.36 117.00 121.92 2edy n LEU 34 Ca 0.18 0.85 -0.01 0.00 -0.00 0.00 0.00 56.01 57.04 2edy n LEU 34 Cb 0.34 -0.42 -0.00 0.00 -0.00 0.00 0.00 43.42 43.33 2edy n LEU 34 CO 0.66 -0.89 0.36 0.00 -0.00 0.00 0.00 177.39 177.52 2edy h ALA 35 N 0.92 -0.73 -0.61 1.47 0.00 -1.94 -3.30 119.26 115.07 2edy h ALA 35 Ca 0.66 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.67 2edy h ALA 35 Cb 2.40 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 20.12 2edy h ALA 35 CO -0.17 -0.73 0.12 1.05 0.00 0.00 0.00 179.25 179.52 2edy h GLU 36 N -0.07 0.24 -5.96 0.00 4.11 -1.02 -3.33 114.58 108.55 2edy h GLU 36 Ca -0.01 -0.01 -0.46 0.00 0.07 0.00 0.00 59.36 58.96 2edy h GLU 36 Cb 0.04 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 2edy h GLU 36 CO 0.01 0.16 1.12 -0.98 0.07 0.00 0.00 179.01 179.39 2edy s ARG 37 N -6.11 2.99 0.08 1.06 1.70 -0.29 -3.48 118.95 114.89 2edy s ARG 37 Ca -0.13 -0.44 -0.15 0.00 -0.47 0.00 0.00 55.73 54.55 2edy s ARG 37 Cb 0.18 -4.96 -0.03 0.00 -0.57 0.00 0.00 34.95 29.57 2edy s ARG 37 CO 0.74 -2.75 1.07 0.09 -1.08 0.00 0.00 175.30 173.37 2edy n ASN 38 N 11.54 -0.50 0.00 -2.89 3.02 -1.25 -4.68 115.26 120.49 2edy n ASN 38 Ca 0.31 1.18 0.00 0.00 -0.03 0.00 0.00 54.58 56.04 2edy n ASN 38 Cb 0.49 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 2edy n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2edy n GLY 39 N -1.12 4.04 3.97 7.41 0.00 -1.26 -4.99 105.19 113.23 2edy n GLY 39 Ca 0.01 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 43.88 2edy n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2edy s ARG 40 N 2.65 1.01 0.08 1.61 1.81 -1.26 -5.01 118.95 119.84 2edy s ARG 40 Ca 0.00 -0.86 0.10 0.00 -1.72 0.00 0.00 55.73 53.25 2edy s ARG 40 Cb 0.00 -2.08 -0.03 0.00 -0.45 0.00 0.00 34.95 32.38 2edy s ARG 40 CO 0.00 -2.03 -0.24 0.42 -0.68 0.00 0.00 175.30 172.77 2edy s ILE 41 N -3.55 2.36 -0.01 1.52 -1.09 -1.26 -4.56 121.20 114.61 2edy s ILE 41 Ca 0.72 -1.51 0.01 0.00 -2.23 0.00 0.00 60.65 57.63 2edy s ILE 41 Cb -0.04 -2.00 -0.01 0.00 -1.58 0.00 0.00 42.46 38.83 2edy s ILE 41 CO 0.49 0.23 0.00 2.30 -1.23 0.00 0.00 174.94 176.73 2edy n ILE 42 N 1.30 0.06 -3.71 2.92 -5.35 -0.60 -5.01 119.36 108.97 2edy n ILE 42 Ca -0.17 -0.04 0.01 0.00 -0.27 0.00 0.00 62.75 62.28 2edy n ILE 42 Cb 0.52 -0.92 -0.00 0.00 -1.74 0.00 0.00 39.64 37.51 2edy n ILE 42 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2edy s SER 43 N -3.08 -0.06 0.26 7.28 1.04 -1.25 -4.83 113.70 113.06 2edy s SER 43 Ca -0.00 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.23 2edy s SER 43 Cb 0.00 0.24 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 2edy s SER 43 CO 0.04 -0.44 0.02 -0.31 0.98 0.00 0.00 173.24 173.52 2edy s TYR 44 N -2.49 1.66 -0.30 5.02 1.51 -1.19 -0.37 117.35 121.20 2edy s TYR 44 Ca 0.17 -0.95 0.00 0.00 -1.01 0.00 0.00 57.07 55.28 2edy s TYR 44 Cb 0.03 -0.99 0.09 0.00 -0.11 0.00 0.00 41.96 40.98 2edy s TYR 44 CO -0.02 -0.05 0.06 0.99 -1.11 0.00 0.00 175.55 175.42 2edy s THR 45 N -3.42 1.23 -0.70 -0.71 2.01 -0.86 -3.37 115.64 109.82 2edy s THR 45 Ca 0.31 -1.50 -0.27 0.00 0.31 0.00 0.00 61.69 60.55 2edy s THR 45 Cb 0.06 -1.85 0.03 0.00 0.01 0.00 0.00 72.50 70.76 2edy s THR 45 CO 0.11 -0.54 1.23 -0.69 -0.69 0.00 0.00 174.62 174.05 2edy s VAL 46 N 1.46 3.83 -0.32 3.82 1.01 -0.23 -3.40 120.40 126.56 2edy s VAL 46 Ca 0.07 0.42 -0.18 0.00 0.00 0.00 0.00 61.98 62.30 2edy s VAL 46 Cb -0.18 -4.86 -0.01 0.00 0.00 0.00 0.00 36.38 31.33 2edy s VAL 46 CO -0.17 -1.73 0.50 -0.69 0.00 0.00 0.00 175.10 173.00 2edy s VAL 47 N 5.44 5.05 0.02 2.92 1.01 -0.84 0.21 120.40 134.21 2edy s VAL 47 Ca 0.35 0.49 0.08 0.00 0.00 0.00 0.00 61.98 62.91 2edy s VAL 47 Cb -0.09 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2edy s VAL 47 CO 0.16 -0.10 -0.25 0.72 0.00 0.00 0.00 175.10 175.63 2edy s PHE 48 N 2.33 2.21 -0.22 5.22 -0.71 0.39 -0.03 117.98 127.18 2edy s PHE 48 Ca 0.19 -0.41 -0.26 0.00 -1.04 0.00 0.00 56.93 55.40 2edy s PHE 48 Cb -0.16 -1.36 0.07 0.00 -1.21 0.00 0.00 43.02 40.37 2edy s PHE 48 CO 0.12 0.07 0.71 0.50 -1.34 0.00 0.00 175.22 175.27 2edy s ARG 49 N -1.01 0.89 -0.39 1.99 3.52 0.05 -1.50 118.95 122.51 2edy s ARG 49 Ca 0.10 0.82 -0.29 0.00 -0.13 0.00 0.00 55.73 56.24 2edy s ARG 49 Cb -0.10 0.43 0.01 0.00 -1.56 0.00 0.00 34.95 33.74 2edy s ARG 49 CO 0.01 -0.16 1.32 0.34 -0.81 0.00 0.00 175.30 176.00 2edy s ASP 50 N 0.00 6.51 0.12 -2.12 2.15 -1.26 0.23 116.67 122.30 2edy s ASP 50 Ca -0.03 0.87 0.07 0.00 0.43 0.00 0.00 52.55 53.90 2edy s ASP 50 Cb -0.04 -2.54 0.39 0.00 -0.30 0.00 0.00 42.92 40.43 2edy s ASP 50 CO 0.03 -1.28 1.16 2.30 -0.17 0.00 0.00 175.17 177.21 2edy n ILE 51 N 6.74 1.39 0.29 4.11 -5.35 -1.20 0.42 119.36 125.77 2edy n ILE 51 Ca 0.15 0.59 0.11 0.00 -0.27 0.00 0.00 62.75 63.33 2edy n ILE 51 Cb 0.48 -1.59 -0.08 0.00 -1.74 0.00 0.00 39.64 36.71 2edy n ILE 51 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2edy n ASN 52 N -1.72 0.44 -4.75 7.28 3.02 -1.26 -4.97 115.26 113.31 2edy n ASN 52 Ca -0.00 -0.11 -0.32 0.00 -0.03 0.00 0.00 54.58 54.12 2edy n ASN 52 Cb 0.10 1.26 -0.08 0.00 -0.61 0.00 0.00 39.78 40.44 2edy n ASN 52 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2edy s SER 53 N -4.33 4.12 -0.28 6.41 0.01 0.17 -5.05 113.70 114.75 2edy s SER 53 Ca -0.01 -1.57 0.10 0.00 1.31 0.00 0.00 55.95 55.78 2edy s SER 53 Cb 0.14 0.33 0.50 0.00 0.21 0.00 0.00 66.02 67.20 2edy s SER 53 CO 0.85 -0.79 1.45 0.00 0.41 0.00 0.00 173.24 175.17 2edy n GLN 54 N -1.24 1.94 -3.39 12.44 6.02 -1.26 -4.64 117.38 127.25 2edy n GLN 54 Ca -0.15 -3.14 -0.45 0.00 -0.01 0.00 0.00 57.00 53.25 2edy n GLN 54 Cb 0.67 -1.81 -0.05 0.00 1.02 0.00 0.00 30.24 30.07 2edy n GLN 54 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2edy s GLN 55 N -3.20 3.15 0.21 -1.09 2.00 -1.26 -5.06 119.66 114.41 2edy s GLN 55 Ca 0.44 -2.13 -0.26 0.00 -2.00 0.00 0.00 55.36 51.41 2edy s GLN 55 Cb 0.40 -4.25 -0.09 0.00 0.80 0.00 0.00 33.01 29.87 2edy s GLN 55 CO 0.01 -1.28 0.84 -2.00 -0.50 0.00 0.00 175.29 172.36 2edy s GLU 56 N 0.76 4.62 0.23 1.67 2.12 -1.26 -4.16 118.70 122.69 2edy s GLU 56 Ca 0.11 1.25 -0.11 0.00 0.36 0.00 0.00 54.97 56.58 2edy s GLU 56 Cb -0.20 -3.17 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 2edy s GLU 56 CO -0.03 0.50 0.42 -0.51 -0.54 0.00 0.00 175.26 175.10 2edy s LEU 57 N -1.35 0.46 0.11 2.70 1.43 -0.56 -5.02 118.68 116.45 2edy s LEU 57 Ca 0.40 -0.97 -0.26 0.00 -1.03 0.00 0.00 54.13 52.27 2edy s LEU 57 Cb -0.23 1.56 0.07 0.00 0.03 0.00 0.00 46.19 47.62 2edy s LEU 57 CO 0.27 -1.08 0.84 0.00 0.23 0.00 0.00 176.35 176.61 2edy s GLN 58 N -4.03 1.14 0.24 1.70 -2.07 -1.26 -0.46 119.66 114.92 2edy s GLN 58 Ca 0.24 -0.53 0.01 0.00 -1.82 0.00 0.00 55.36 53.26 2edy s GLN 58 Cb 0.01 0.45 -0.04 0.00 -1.09 0.00 0.00 33.01 32.33 2edy s GLN 58 CO 0.09 -0.51 0.12 -0.80 -1.32 0.00 0.00 175.29 172.86 2edy s ASN 59 N -2.73 0.84 -0.03 12.60 0.02 0.13 -4.94 114.94 120.83 2edy s ASN 59 Ca 0.07 -1.41 0.01 0.00 -1.02 0.00 0.00 52.86 50.51 2edy s ASN 59 Cb -0.02 0.28 0.01 0.00 0.02 0.00 0.00 41.25 41.55 2edy s ASN 59 CO -0.04 -0.80 -0.05 -0.63 0.02 0.00 0.00 177.10 175.60 2edy s ILE 60 N -3.89 0.49 -0.10 0.60 1.01 -1.26 -1.07 121.20 116.99 2edy s ILE 60 Ca 0.38 -0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.75 2edy s ILE 60 Cb 0.07 -0.49 0.03 0.00 0.01 0.00 0.00 42.46 42.08 2edy s ILE 60 CO 0.14 0.19 0.34 0.28 0.00 0.00 0.00 174.94 175.89 2edy s THR 61 N 0.60 0.02 -1.25 2.92 -1.32 -1.22 -5.02 115.64 110.36 2edy s THR 61 Ca -0.08 -0.13 0.01 0.00 -1.21 0.00 0.00 61.69 60.28 2edy s THR 61 Cb -0.11 -0.52 0.07 0.00 -1.51 0.00 0.00 72.50 70.42 2edy s THR 61 CO -0.00 -0.07 0.74 0.35 -2.21 0.00 0.00 174.62 173.42 2edy n THR 62 N 2.43 0.19 -4.45 5.08 -2.24 -1.26 -3.14 114.28 110.89 2edy n THR 62 Ca -0.15 -0.11 -0.23 0.00 -2.27 0.00 0.00 64.05 61.29 2edy n THR 62 Cb 0.57 -0.32 -0.10 0.00 -2.10 0.00 0.00 70.33 68.38 2edy n THR 62 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2edy s ASP 63 N -0.35 3.29 -0.01 3.42 1.01 -1.26 -4.94 116.67 117.83 2edy s ASP 63 Ca 0.05 -1.07 0.01 0.00 0.71 0.00 0.00 52.55 52.24 2edy s ASP 63 Cb 0.03 -0.26 0.03 0.00 1.01 0.00 0.00 42.92 43.74 2edy s ASP 63 CO 0.02 -0.08 0.74 0.35 0.21 0.00 0.00 175.17 176.40 2edy n THR 64 N -0.58 0.08 -4.17 -1.27 -2.24 -1.26 -4.76 114.28 100.07 2edy n THR 64 Ca -0.06 -0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.56 2edy n THR 64 Cb 0.61 -0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.45 2edy n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2edy s ARG 65 N -1.42 1.17 0.02 -0.78 1.70 -1.26 -1.32 118.95 117.05 2edy s ARG 65 Ca 0.02 -1.56 -0.29 0.00 -0.47 0.00 0.00 55.73 53.43 2edy s ARG 65 Cb 0.01 0.28 0.10 0.00 -0.57 0.00 0.00 34.95 34.77 2edy s ARG 65 CO 0.01 -0.38 0.99 0.12 -1.08 0.00 0.00 175.30 174.96 2edy s PHE 66 N -4.13 -0.23 -0.17 5.89 5.36 -1.24 -4.89 117.98 118.57 2edy s PHE 66 Ca 0.35 0.06 -0.03 0.00 -0.96 0.00 0.00 56.93 56.34 2edy s PHE 66 Cb 0.07 0.57 0.06 0.00 -0.34 0.00 0.00 43.02 43.37 2edy s PHE 66 CO 0.10 -0.56 0.04 0.99 -1.46 0.00 0.00 175.22 174.33 2edy s THR 67 N -3.02 0.39 1.08 0.12 2.01 -1.26 0.89 115.64 115.85 2edy s THR 67 Ca 0.09 -0.40 -0.13 0.00 0.31 0.00 0.00 61.69 61.56 2edy s THR 67 Cb -0.01 -0.88 0.23 0.00 0.01 0.00 0.00 72.50 71.85 2edy s THR 67 CO -0.05 -0.16 1.07 -0.76 -0.69 0.00 0.00 174.62 174.02 2edy s LEU 68 N 1.92 1.20 0.19 4.42 2.01 0.17 -4.80 118.68 123.79 2edy s LEU 68 Ca 0.00 1.28 -0.21 0.00 0.01 0.00 0.00 54.13 55.21 2edy s LEU 68 Cb -0.16 -3.33 0.05 0.00 0.01 0.00 0.00 46.19 42.76 2edy s LEU 68 CO -0.08 -3.63 0.59 0.42 1.01 0.00 0.00 176.35 174.66 2edy s THR 69 N -2.77 0.01 -0.92 5.49 -4.23 -1.26 -2.48 115.64 109.48 2edy s THR 69 Ca 0.67 -0.39 -0.03 0.00 -1.18 0.00 0.00 61.69 60.76 2edy s THR 69 Cb -0.21 -1.31 0.00 0.00 1.34 0.00 0.00 72.50 72.32 2edy s THR 69 CO 0.60 -0.05 0.41 0.61 -0.54 0.00 0.00 174.62 175.66 2edy n GLY 70 N -0.37 -0.03 3.78 3.99 0.00 -1.21 -4.95 105.19 106.40 2edy n GLY 70 Ca -0.13 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 2edy n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2edy s LEU 71 N -4.29 3.65 0.05 0.99 1.43 0.43 -5.06 118.68 115.89 2edy s LEU 71 Ca 0.21 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 52.81 2edy s LEU 71 Cb -0.09 -2.18 -0.06 0.00 0.03 0.00 0.00 46.19 43.89 2edy s LEU 71 CO 0.25 -0.03 0.45 -0.75 0.23 0.00 0.00 176.35 176.51 2edy s LYS 72 N -3.79 3.91 0.47 1.70 2.20 -1.26 -4.20 119.74 118.78 2edy s LYS 72 Ca 0.32 0.40 -0.22 0.00 -0.36 0.00 0.00 55.97 56.11 2edy s LYS 72 Cb -0.07 -3.11 -0.07 0.00 -1.51 0.00 0.00 37.83 33.06 2edy s LYS 72 CO 0.24 0.61 1.16 -1.25 -0.36 0.00 0.00 175.35 175.75 2edy s PRO 73 N -1.46 3.71 -1.29 4.03 0.04 -0.98 -3.60 135.00 135.43 2edy s PRO 73 Ca 0.29 1.75 -0.03 0.00 0.04 0.00 0.00 61.00 63.06 2edy s PRO 73 Cb -0.16 -2.35 0.01 0.00 0.04 0.00 0.00 34.50 32.04 2edy s PRO 73 CO 0.16 -0.59 0.93 -3.47 0.04 0.00 0.00 177.00 174.07 2edy n ASP 74 N -0.59 -2.67 -3.75 6.66 2.03 -1.21 -4.88 116.55 112.14 2edy n ASP 74 Ca 0.08 -0.69 -0.13 0.00 0.52 0.00 0.00 54.79 54.57 2edy n ASP 74 Cb 0.48 -4.63 -0.14 0.00 -0.72 0.00 0.00 41.12 36.11 2edy n ASP 74 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2edy s THR 75 N -3.45 -0.04 0.21 5.18 2.01 -1.24 -4.96 115.64 113.35 2edy s THR 75 Ca 0.16 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.99 2edy s THR 75 Cb -0.07 -0.30 -0.09 0.00 0.01 0.00 0.00 72.50 72.05 2edy s THR 75 CO 0.77 0.06 1.33 -0.89 -0.69 0.00 0.00 174.62 175.19 2edy s THR 76 N 1.04 3.10 -0.27 -0.82 2.01 -1.26 -2.39 115.64 117.05 2edy s THR 76 Ca -0.08 0.92 -0.00 0.00 0.31 0.00 0.00 61.69 62.83 2edy s THR 76 Cb -0.09 -3.58 0.08 0.00 0.01 0.00 0.00 72.50 68.91 2edy s THR 76 CO -0.06 0.14 0.04 -0.31 -0.69 0.00 0.00 174.62 173.74 2edy s TYR 77 N 0.04 1.95 -0.57 4.92 2.02 -1.14 -3.24 117.35 121.32 2edy s TYR 77 Ca 0.57 -1.68 -0.26 0.00 -0.37 0.00 0.00 57.07 55.32 2edy s TYR 77 Cb -0.37 -1.66 -0.08 0.00 -0.40 0.00 0.00 41.96 39.45 2edy s TYR 77 CO 0.40 -0.80 2.35 0.34 -1.57 0.00 0.00 175.55 176.26 2edy s ASP 78 N 1.54 4.42 -0.14 2.29 -1.08 0.61 -2.40 116.67 121.91 2edy s ASP 78 Ca 0.04 0.77 -0.03 0.00 -0.52 0.00 0.00 52.55 52.81 2edy s ASP 78 Cb -0.18 -2.51 -0.03 0.00 -1.46 0.00 0.00 42.92 38.74 2edy s ASP 78 CO -0.15 -3.02 -0.05 -0.63 0.52 0.00 0.00 175.17 171.84 2edy s ILE 79 N 12.36 3.83 0.26 4.11 1.01 -1.26 -0.77 121.20 140.74 2edy s ILE 79 Ca 0.93 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 61.23 2edy s ILE 79 Cb -0.15 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 2edy s ILE 79 CO 0.21 0.51 0.14 2.29 0.00 0.00 0.00 174.94 178.09 2edy n LYS 80 N 3.36 0.52 -3.72 2.79 2.85 0.96 -1.54 118.16 123.38 2edy n LYS 80 Ca -0.18 -2.36 -0.10 0.00 -1.05 0.00 0.00 58.31 54.63 2edy n LYS 80 Cb 0.53 1.54 -0.05 0.00 -0.65 0.00 0.00 35.03 36.40 2edy n LYS 80 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2edy s VAL 81 N -2.75 0.07 -0.26 0.58 0.11 -1.26 -1.99 120.40 114.90 2edy s VAL 81 Ca 0.20 -0.78 -0.17 0.00 -2.93 0.00 0.00 61.98 58.30 2edy s VAL 81 Cb 0.01 -1.35 0.07 0.00 -1.53 0.00 0.00 36.38 33.58 2edy s VAL 81 CO 0.14 -0.31 0.66 0.00 -3.33 0.00 0.00 175.10 172.26 2edy s ARG 82 N -3.84 0.69 0.52 1.54 1.70 -1.22 0.31 118.95 118.64 2edy s ARG 82 Ca 0.06 1.12 -0.18 0.00 -0.47 0.00 0.00 55.73 56.26 2edy s ARG 82 Cb 0.02 0.17 -0.07 0.00 -0.57 0.00 0.00 34.95 34.50 2edy s ARG 82 CO -0.09 -0.14 1.03 0.00 -1.08 0.00 0.00 175.30 175.03 2edy s ALA 83 N 1.36 2.86 0.09 7.88 0.00 -1.26 -2.03 121.76 130.66 2edy s ALA 83 Ca -0.08 0.48 0.08 0.00 0.00 0.00 0.00 51.96 52.44 2edy s ALA 83 Cb -0.05 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 2edy s ALA 83 CO -0.15 -0.45 -0.20 -1.58 0.00 0.00 0.00 175.76 173.38 2edy s TRP 84 N -2.22 1.72 0.30 0.00 0.52 0.51 -3.42 118.94 116.34 2edy s TRP 84 Ca 0.65 -0.42 0.08 0.00 0.02 0.00 0.00 56.10 56.43 2edy s TRP 84 Cb -0.15 -0.95 -0.06 0.00 -1.15 0.00 0.00 33.47 31.16 2edy s TRP 84 CO 0.26 0.18 -0.09 0.95 0.02 0.00 0.00 176.95 178.27 2edy s THR 85 N -1.14 1.95 0.63 2.01 -4.23 -0.37 -1.56 115.64 112.94 2edy s THR 85 Ca 0.05 -2.19 0.24 0.00 -1.18 0.00 0.00 61.69 58.62 2edy s THR 85 Cb -0.10 -2.48 0.29 0.00 1.34 0.00 0.00 72.50 71.55 2edy s THR 85 CO 0.04 -0.29 1.68 -1.28 -0.54 0.00 0.00 174.62 174.23 2edy h SER 86 N 2.20 0.00 0.00 3.99 0.87 -1.95 -1.68 113.55 116.98 2edy h SER 86 Ca -0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 2edy h SER 86 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2edy h SER 86 CO 0.67 0.00 -0.06 0.11 -0.53 0.00 0.00 176.83 177.02 2edy h LYS 87 N 0.00 0.00 0.00 2.24 6.56 -1.95 -3.51 116.57 119.92 2edy h LYS 87 Ca 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 2edy h LYS 87 Cb 1.33 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.99 2edy h LYS 87 CO -0.00 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 2edy n GLY 88 N 1.79 1.49 3.52 3.86 0.00 -0.63 -4.86 105.19 110.36 2edy n GLY 88 Ca -0.01 0.33 -0.26 0.00 0.00 0.00 0.00 46.02 46.09 2edy n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2edy s SER 89 N 2.00 2.82 0.00 1.61 1.04 -1.26 -1.23 113.70 118.68 2edy s SER 89 Ca 0.00 -1.63 0.00 0.00 0.48 0.00 0.00 55.95 54.80 2edy s SER 89 Cb 0.00 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2edy s SER 89 CO 0.00 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.95 2edy n GLY 90 N -0.90 5.44 3.64 7.32 0.00 -1.22 -3.67 105.19 115.79 2edy n GLY 90 Ca -0.06 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 2edy n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edy s PRO 91 N 4.01 -0.31 -0.18 1.61 0.04 -1.25 -4.99 135.00 133.93 2edy s PRO 91 Ca 0.00 0.26 -0.01 0.00 0.04 0.00 0.00 61.00 61.29 2edy s PRO 91 Cb 0.00 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.87 2edy s PRO 91 CO 0.00 -3.17 -0.14 -0.51 0.04 0.00 0.00 177.00 173.22 2edy s LEU 92 N -6.67 2.48 0.77 -3.56 1.43 -1.26 -4.55 118.68 107.32 2edy s LEU 92 Ca 0.68 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 53.13 2edy s LEU 92 Cb -0.15 -1.58 0.04 0.00 0.03 0.00 0.00 46.19 44.53 2edy s LEU 92 CO 0.57 0.03 1.02 -1.54 0.23 0.00 0.00 176.35 176.67 2edy n SER 93 N 4.40 0.51 -4.64 2.29 3.41 0.15 -4.89 113.62 114.85 2edy n SER 93 Ca -0.19 0.61 -0.43 0.00 -0.26 0.00 0.00 58.87 58.60 2edy n SER 93 Cb 0.51 -1.43 -0.03 0.00 -0.26 0.00 0.00 64.21 63.00 2edy n SER 93 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2edy s PRO 94 N -3.67 3.96 0.47 4.33 0.04 -1.26 -4.36 135.00 134.51 2edy s PRO 94 Ca 0.72 1.80 -0.22 0.00 0.04 0.00 0.00 61.00 63.35 2edy s PRO 94 Cb -0.31 -3.98 -0.10 0.00 0.04 0.00 0.00 34.50 30.14 2edy s PRO 94 CO 0.52 -1.09 0.77 -1.13 0.04 0.00 0.00 177.00 176.11 2edy n SER 95 N 7.82 0.09 -0.06 6.66 3.41 -1.26 -4.85 113.62 125.44 2edy n SER 95 Ca 0.18 0.91 -0.00 0.00 -0.26 0.00 0.00 58.87 59.69 2edy n SER 95 Cb 0.44 -1.25 -0.16 0.00 -0.26 0.00 0.00 64.21 62.98 2edy n SER 95 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2edy n ILE 96 N -1.01 0.73 -3.26 -1.33 -5.35 -0.59 -4.90 119.36 103.65 2edy n ILE 96 Ca 0.11 -0.69 -0.15 0.00 -0.27 0.00 0.00 62.75 61.75 2edy n ILE 96 Cb 0.42 -0.24 0.08 0.00 -1.74 0.00 0.00 39.64 38.16 2edy n ILE 96 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2edy n GLN 97 N -2.52 -5.76 -2.21 6.28 6.02 -1.24 -4.91 117.38 113.05 2edy n GLN 97 Ca -0.19 0.75 -0.43 0.00 -0.01 0.00 0.00 57.00 57.12 2edy n GLN 97 Cb 0.88 -5.47 -0.02 0.00 1.02 0.00 0.00 30.24 26.64 2edy n GLN 97 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2edy s SER 98 N -4.18 6.15 -0.35 1.08 0.15 -1.01 -4.23 113.70 111.32 2edy s SER 98 Ca 0.01 1.02 -0.27 0.00 0.70 0.00 0.00 55.95 57.41 2edy s SER 98 Cb -0.00 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.79 2edy s SER 98 CO 0.65 -1.55 0.97 -0.60 1.20 0.00 0.00 173.24 173.91 2edy s ARG 99 N 5.23 3.94 1.00 5.44 3.52 -1.26 -2.90 118.95 133.92 2edy s ARG 99 Ca 0.69 0.77 -0.17 0.00 -0.13 0.00 0.00 55.73 56.88 2edy s ARG 99 Cb -0.17 -3.77 -0.15 0.00 -1.56 0.00 0.00 34.95 29.30 2edy s ARG 99 CO 0.33 -0.91 -0.81 0.25 -0.81 0.00 0.00 175.30 173.36 2edy n THR 100 N 5.91 0.00 -2.04 4.11 -2.24 -1.01 -4.75 114.28 114.26 2edy n THR 100 Ca 0.09 -0.47 -0.41 0.00 -2.27 0.00 0.00 64.05 60.98 2edy n THR 100 Cb 0.48 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.66 2edy n THR 100 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2edy s MET 101 N -2.05 4.28 -0.95 -0.78 0.00 -1.20 -3.31 119.30 115.28 2edy s MET 101 Ca 0.40 2.27 -0.24 0.00 0.00 0.00 0.00 55.69 58.12 2edy s MET 101 Cb -0.17 -3.13 -0.05 0.00 0.00 0.00 0.00 34.83 31.48 2edy s MET 101 CO 0.82 -0.42 1.95 -1.25 0.00 0.00 0.00 175.02 176.11 2edy s PRO 102 N -0.12 2.54 0.00 3.16 0.04 -1.26 -3.28 135.00 136.08 2edy s PRO 102 Ca 0.60 -0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.19 2edy s PRO 102 Cb -0.41 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.03 2edy s PRO 102 CO 0.41 -3.49 0.00 0.28 0.04 0.00 0.00 177.00 174.24