#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 0.93 -0.27 1.61 1.04 -1.26 -5.04 113.70 110.71 2edy s SER 2 Ca 0.00 -0.51 -0.01 0.00 0.48 0.00 0.00 55.95 55.91 2edy s SER 2 Cb 0.00 0.01 0.18 0.00 0.10 0.00 0.00 66.02 66.32 2edy s SER 2 CO 0.00 -0.16 2.01 -1.20 0.98 0.00 0.00 173.24 174.87 2edy n SER 3 N 1.60 6.29 -1.20 7.02 7.64 -1.26 -4.94 113.62 128.77 2edy n SER 3 Ca -0.22 -2.97 0.00 0.00 1.01 0.00 0.00 58.87 56.69 2edy n SER 3 Cb 0.55 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 2edy n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2edy n GLY 4 N 0.51 -4.38 3.60 0.23 0.00 -1.26 -4.73 105.19 99.15 2edy n GLY 4 Ca 0.26 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 2edy n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2edy s SER 5 N -2.08 5.56 0.00 1.61 1.04 -1.26 -4.71 113.70 113.85 2edy s SER 5 Ca 0.00 1.55 0.00 0.00 0.48 0.00 0.00 55.95 57.98 2edy s SER 5 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2edy s SER 5 CO 0.00 -1.93 0.00 -1.20 0.98 0.00 0.00 173.24 171.09 2edy n SER 6 N 11.44 1.44 -3.81 7.02 7.64 -1.26 -5.09 113.62 131.01 2edy n SER 6 Ca 0.27 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.92 2edy n SER 6 Cb 0.47 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.81 2edy n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2edy n GLY 7 N 2.81 -2.53 3.77 0.23 0.00 -1.26 -4.90 105.19 103.30 2edy n GLY 7 Ca 0.00 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.39 2.37 0.00 1.61 0.04 -1.26 -4.89 135.00 129.49 2edy s PRO 8 Ca 0.42 1.22 0.02 0.00 0.04 0.00 0.00 61.00 62.70 2edy s PRO 8 Cb -0.07 -1.91 0.05 0.00 0.04 0.00 0.00 34.50 32.61 2edy s PRO 8 CO 0.45 -1.56 1.00 0.45 0.04 0.00 0.00 177.00 177.38 2edy n SER 9 N -3.28 2.08 -4.14 6.66 2.88 -1.26 -3.93 113.62 112.63 2edy n SER 9 Ca 0.09 -1.93 -0.24 0.00 -1.33 0.00 0.00 58.87 55.47 2edy n SER 9 Cb 0.53 -0.04 -0.15 0.00 -0.75 0.00 0.00 64.21 63.80 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 -0.93 0.80 0.17 0.46 0.00 -1.26 -4.89 107.32 101.66 2edy s GLY 10 Ca 0.04 -0.68 0.05 0.00 0.00 0.00 0.00 44.72 44.12 2edy s GLY 10 CO 0.03 -0.53 0.19 -0.11 0.00 0.00 0.00 173.10 172.68 2edy s PHE 11 N -0.30 3.24 1.16 1.90 -0.71 -1.26 -4.72 117.98 117.29 2edy s PHE 11 Ca 0.05 0.00 -0.18 0.00 -1.04 0.00 0.00 56.93 55.76 2edy s PHE 11 Cb -0.07 -1.54 0.27 0.00 -1.21 0.00 0.00 43.02 40.47 2edy s PHE 11 CO -0.00 0.51 1.10 -1.25 -1.34 0.00 0.00 175.22 174.25 2edy s PRO 12 N -3.27 -0.88 0.26 1.99 0.04 -1.26 -4.61 135.00 127.28 2edy s PRO 12 Ca 0.32 0.06 0.04 0.00 0.04 0.00 0.00 61.00 61.47 2edy s PRO 12 Cb -0.10 -1.63 -0.02 0.00 0.04 0.00 0.00 34.50 32.80 2edy s PRO 12 CO 0.25 -3.51 0.15 1.04 0.04 0.00 0.00 177.00 174.97 2edy n GLN 13 N -4.64 0.49 -2.26 4.56 1.13 -1.09 -4.86 117.38 110.71 2edy n GLN 13 Ca 0.11 -2.36 -0.19 0.00 -1.94 0.00 0.00 57.00 52.62 2edy n GLN 13 Cb 0.59 1.60 -0.02 0.00 0.11 0.00 0.00 30.24 32.52 2edy n GLN 13 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2edy n ASN 14 N -1.88 -5.38 -4.64 1.08 5.03 -1.26 -0.45 115.26 107.74 2edy n ASN 14 Ca 0.01 0.04 -0.43 0.00 0.87 0.00 0.00 54.58 55.06 2edy n ASN 14 Cb 0.42 -4.45 -0.02 0.00 -1.02 0.00 0.00 39.78 34.71 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 -5.24 3.98 0.00 3.41 2.96 -1.26 -3.74 118.68 118.79 2edy s LEU 15 Ca 0.00 1.27 -0.11 0.00 -0.22 0.00 0.00 54.13 55.07 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 -0.90 0.53 0.00 -1.32 0.00 0.00 176.35 174.66 2edy n HIS 16 N 7.01 -0.98 -4.35 5.38 1.44 -1.18 -4.94 115.22 117.61 2edy n HIS 16 Ca 0.13 -0.66 -0.34 0.00 -2.01 0.00 0.00 57.72 54.85 2edy n HIS 16 Cb 0.46 0.32 -0.12 0.00 0.12 0.00 0.00 29.99 30.78 2edy n HIS 16 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2edy s VAL 17 N -2.31 4.05 -0.70 0.61 0.11 -1.26 -0.91 120.40 119.98 2edy s VAL 17 Ca 0.12 -0.30 0.23 0.00 -2.93 0.00 0.00 61.98 59.09 2edy s VAL 17 Cb -0.01 -2.78 -0.15 0.00 -1.53 0.00 0.00 36.38 31.91 2edy s VAL 17 CO 0.03 0.50 0.98 1.07 -3.33 0.00 0.00 175.10 174.35 2edy n THR 18 N 3.42 0.09 -2.66 5.04 5.66 -1.26 -4.79 114.28 119.78 2edy n THR 18 Ca -0.17 -0.17 -0.03 0.00 -3.05 0.00 0.00 64.05 60.62 2edy n THR 18 Cb 0.52 0.41 0.05 0.00 -1.55 0.00 0.00 70.33 69.76 2edy n THR 18 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2edy n GLY 19 N 1.41 -1.85 3.61 1.09 0.00 -1.26 -5.06 105.19 103.12 2edy n GLY 19 Ca 0.02 1.31 -0.29 0.00 0.00 0.00 0.00 46.02 47.06 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 0.71 1.12 0.10 0.99 2.34 -1.26 -3.15 118.68 119.53 2edy s LEU 20 Ca 0.24 1.12 -0.06 0.00 0.06 0.00 0.00 54.13 55.49 2edy s LEU 20 Cb 0.16 -3.13 -0.02 0.00 -0.56 0.00 0.00 46.19 42.65 2edy s LEU 20 CO -0.10 -3.65 0.14 -0.89 -1.06 0.00 0.00 176.35 170.80 2edy s THR 21 N -2.85 0.14 0.45 5.48 2.01 0.43 -4.79 115.64 116.52 2edy s THR 21 Ca 0.67 -1.45 0.12 0.00 0.31 0.00 0.00 61.69 61.34 2edy s THR 21 Cb -0.18 -1.56 0.28 0.00 0.01 0.00 0.00 72.50 71.05 2edy s THR 21 CO 0.59 -0.63 2.07 0.71 -0.69 0.00 0.00 174.62 176.66 2edy h THR 22 N 2.81 1.02 0.00 -0.82 1.35 -1.92 -3.25 112.91 112.10 2edy h THR 22 Ca -0.34 -0.12 -0.22 0.00 -0.55 0.00 0.00 66.41 65.18 2edy h THR 22 Cb 1.19 0.63 -0.04 0.00 -1.73 0.00 0.00 68.15 68.21 2edy h THR 22 CO 0.57 0.07 -1.81 -1.20 -0.25 0.00 0.00 175.52 172.89 2edy n SER 23 N -4.49 2.66 -4.83 5.36 7.64 -1.26 -2.25 113.62 116.46 2edy n SER 23 Ca 0.03 -0.04 -0.22 0.00 1.01 0.00 0.00 58.87 59.64 2edy n SER 23 Cb 0.15 -0.25 -0.04 0.00 -1.01 0.00 0.00 64.21 63.05 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 -2.28 2.49 -0.17 0.44 -4.23 -1.23 -0.22 115.64 110.44 2edy s THR 24 Ca -0.19 -1.47 -0.04 0.00 -1.18 0.00 0.00 61.69 58.80 2edy s THR 24 Cb 0.05 -2.97 0.08 0.00 1.34 0.00 0.00 72.50 71.01 2edy s THR 24 CO 0.32 0.00 0.22 -0.89 -0.54 0.00 0.00 174.62 173.73 2edy s THR 25 N -2.53 -0.34 0.68 3.99 2.01 -1.17 0.16 115.64 118.45 2edy s THR 25 Ca 0.45 0.02 -0.11 0.00 0.31 0.00 0.00 61.69 62.36 2edy s THR 25 Cb -0.01 -0.59 0.00 0.00 0.01 0.00 0.00 72.50 71.92 2edy s THR 25 CO 0.26 -0.10 1.06 -1.61 -0.69 0.00 0.00 174.62 173.54 2edy s GLU 26 N 2.34 2.98 0.08 4.92 2.02 -1.19 0.31 118.70 130.16 2edy s GLU 26 Ca 0.05 0.99 -0.03 0.00 0.02 0.00 0.00 54.97 56.01 2edy s GLU 26 Cb -0.15 -1.99 -0.03 0.00 0.10 0.00 0.00 34.13 32.06 2edy s GLU 26 CO -0.11 -1.07 0.04 -0.51 0.02 0.00 0.00 175.26 173.64 2edy s LEU 27 N -5.42 2.07 -0.30 1.80 1.43 0.31 -4.03 118.68 114.54 2edy s LEU 27 Ca 0.59 -0.97 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 2edy s LEU 27 Cb -0.14 0.43 0.19 0.00 0.03 0.00 0.00 46.19 46.69 2edy s LEU 27 CO 0.53 -0.66 0.74 0.00 0.23 0.00 0.00 176.35 177.18 2edy s ALA 28 N -3.94 -2.64 0.37 4.21 0.00 -0.09 -3.55 121.76 116.11 2edy s ALA 28 Ca 0.10 1.68 0.04 0.00 0.00 0.00 0.00 51.96 53.78 2edy s ALA 28 Cb 0.07 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.88 2edy s ALA 28 CO -0.07 -1.41 0.13 -2.67 0.00 0.00 0.00 175.76 171.74 2edy n TRP 29 N 5.44 0.11 -4.35 0.00 2.14 -0.66 -3.09 117.44 117.04 2edy n TRP 29 Ca -0.02 -2.38 -0.18 0.00 2.07 0.00 0.00 57.50 56.98 2edy n TRP 29 Cb 0.52 -0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.92 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 -3.27 2.36 0.92 -0.67 1.01 0.40 -4.69 116.67 112.72 2edy s ASP 30 Ca 0.19 -1.11 -0.12 0.00 0.71 0.00 0.00 52.55 52.22 2edy s ASP 30 Cb 0.01 -0.10 0.14 0.00 1.01 0.00 0.00 42.92 43.98 2edy s ASP 30 CO 0.13 -0.32 1.09 -2.16 0.21 0.00 0.00 175.17 174.13 2edy s PRO 31 N -3.73 1.09 0.52 8.23 0.04 -1.26 -2.65 135.00 137.24 2edy s PRO 31 Ca 0.25 0.76 -0.20 0.00 0.04 0.00 0.00 61.00 61.85 2edy s PRO 31 Cb 0.02 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.71 2edy s PRO 31 CO 0.08 -2.34 1.14 -1.25 0.04 0.00 0.00 177.00 174.67 2edy s PRO 32 N -4.94 3.46 0.16 0.56 0.04 -1.26 -4.31 135.00 128.70 2edy s PRO 32 Ca 0.64 1.65 -0.31 0.00 0.04 0.00 0.00 61.00 63.01 2edy s PRO 32 Cb -0.18 -2.10 -0.11 0.00 0.04 0.00 0.00 34.50 32.15 2edy s PRO 32 CO 0.57 -0.77 1.73 0.14 0.04 0.00 0.00 177.00 178.71 2edy s VAL 33 N -1.72 2.40 0.43 -0.36 -7.23 -1.26 -4.82 120.40 107.84 2edy s VAL 33 Ca 0.71 0.14 0.34 0.00 -1.81 0.00 0.00 61.98 61.36 2edy s VAL 33 Cb -0.25 -3.09 0.52 0.00 0.56 0.00 0.00 36.38 34.12 2edy s VAL 33 CO 0.29 0.01 1.38 0.00 -0.31 0.00 0.00 175.10 176.47 2edy n LEU 34 N 4.76 0.12 0.07 1.32 -0.00 -1.26 0.88 117.00 122.89 2edy n LEU 34 Ca 0.16 1.11 -0.11 0.00 -0.00 0.00 0.00 56.01 57.17 2edy n LEU 34 Cb 0.37 -0.55 -0.05 0.00 -0.00 0.00 0.00 43.42 43.20 2edy n LEU 34 CO 0.64 -1.18 0.74 0.00 -0.00 0.00 0.00 177.39 177.60 2edy h ALA 35 N 1.23 -0.24 -2.27 1.47 0.00 -2.03 -3.28 119.26 114.13 2edy h ALA 35 Ca 0.80 -0.00 -0.77 0.00 0.00 0.00 0.00 54.91 54.94 2edy h ALA 35 Cb 2.81 0.31 -0.23 0.00 0.00 0.00 0.00 17.79 20.68 2edy h ALA 35 CO -0.27 -0.68 0.71 -1.21 0.00 0.00 0.00 179.25 177.80 2edy s GLU 36 N -6.12 4.01 -0.23 0.00 0.41 0.25 -4.93 118.70 112.09 2edy s GLU 36 Ca -0.15 -2.74 -0.03 0.00 -0.41 0.00 0.00 54.97 51.64 2edy s GLU 36 Cb 0.09 -4.73 0.12 0.00 -1.78 0.00 0.00 34.13 27.83 2edy s GLU 36 CO 0.66 -1.47 0.33 1.03 -0.49 0.00 0.00 175.26 175.32 2edy s ARG 37 N 0.27 0.30 -0.26 1.61 0.52 -1.24 -4.47 118.95 115.68 2edy s ARG 37 Ca 0.32 0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.96 2edy s ARG 37 Cb -0.07 -0.70 0.24 0.00 0.52 0.00 0.00 34.95 34.94 2edy s ARG 37 CO -0.06 -0.65 1.77 0.09 0.02 0.00 0.00 175.30 176.46 2edy n ASN 38 N 5.35 5.13 0.00 0.23 3.02 -1.26 -4.91 115.26 122.82 2edy n ASN 38 Ca -0.04 -2.90 0.00 0.00 -0.03 0.00 0.00 54.58 51.61 2edy n ASN 38 Cb 0.50 -0.89 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 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 0.14 0.38 3.09 7.41 0.00 -1.26 -4.85 105.19 110.11 2edy n GLY 39 Ca 0.28 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 2edy n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2edy s ARG 40 N 0.00 0.61 -0.09 1.61 3.03 -1.26 -5.15 118.95 117.70 2edy s ARG 40 Ca 0.00 -1.15 -0.06 0.00 2.03 0.00 0.00 55.73 56.55 2edy s ARG 40 Cb 0.00 0.10 -0.04 0.00 -1.03 0.00 0.00 34.95 33.98 2edy s ARG 40 CO 0.00 -0.08 0.16 0.42 -1.13 0.00 0.00 175.30 174.67 2edy s ILE 41 N -3.45 5.47 -0.04 4.99 -1.09 -1.26 -4.20 121.20 121.62 2edy s ILE 41 Ca 0.04 0.16 0.03 0.00 -2.23 0.00 0.00 60.65 58.65 2edy s ILE 41 Cb 0.04 -3.44 -0.05 0.00 -1.58 0.00 0.00 42.46 37.43 2edy s ILE 41 CO -0.07 0.55 -0.00 2.30 -1.23 0.00 0.00 174.94 176.49 2edy n ILE 42 N 1.74 0.29 -3.87 2.92 -5.35 0.19 -4.98 119.36 110.30 2edy n ILE 42 Ca -0.18 -0.16 -0.02 0.00 -0.27 0.00 0.00 62.75 62.12 2edy n ILE 42 Cb 0.54 -0.84 0.01 0.00 -1.74 0.00 0.00 39.64 37.62 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 -3.78 -0.02 0.11 7.28 1.04 -1.25 -4.84 113.70 112.24 2edy s SER 43 Ca -0.03 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 55.91 2edy s SER 43 Cb 0.01 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 2edy s SER 43 CO 0.16 -0.80 -0.09 -0.31 0.98 0.00 0.00 173.24 173.17 2edy s TYR 44 N -2.27 1.06 -0.27 5.02 1.51 -1.16 -0.66 117.35 120.57 2edy s TYR 44 Ca 0.22 -0.72 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 2edy s TYR 44 Cb -0.02 -0.58 0.07 0.00 -0.11 0.00 0.00 41.96 41.32 2edy s TYR 44 CO 0.03 -0.01 -0.08 0.99 -1.11 0.00 0.00 175.55 175.37 2edy s THR 45 N -2.81 2.16 -0.65 -0.71 2.01 -0.81 -3.07 115.64 111.75 2edy s THR 45 Ca 0.09 -1.74 -0.24 0.00 0.31 0.00 0.00 61.69 60.10 2edy s THR 45 Cb -0.00 -2.33 0.06 0.00 0.01 0.00 0.00 72.50 70.23 2edy s THR 45 CO -0.01 -0.13 1.01 -0.69 -0.69 0.00 0.00 174.62 174.11 2edy s VAL 46 N 1.08 4.24 -0.34 3.82 1.01 -0.26 -3.03 120.40 126.92 2edy s VAL 46 Ca -0.05 -0.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.64 2edy s VAL 46 Cb -0.20 -4.69 -0.01 0.00 0.00 0.00 0.00 36.38 31.48 2edy s VAL 46 CO -0.06 -1.45 0.53 -0.69 0.00 0.00 0.00 175.10 173.43 2edy s VAL 47 N 4.31 5.00 -0.01 2.92 1.01 -0.95 0.00 120.40 132.69 2edy s VAL 47 Ca 0.26 0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.76 2edy s VAL 47 Cb -0.15 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 2edy s VAL 47 CO 0.13 -0.19 -0.24 0.72 0.00 0.00 0.00 175.10 175.52 2edy s PHE 48 N 2.43 2.41 -0.14 5.22 -0.71 0.69 -0.28 117.98 127.60 2edy s PHE 48 Ca 0.20 -0.37 -0.25 0.00 -1.04 0.00 0.00 56.93 55.46 2edy s PHE 48 Cb -0.15 -1.50 0.06 0.00 -1.21 0.00 0.00 43.02 40.22 2edy s PHE 48 CO 0.13 0.05 0.62 0.50 -1.34 0.00 0.00 175.22 175.18 2edy s ARG 49 N -0.80 0.87 -0.49 1.99 3.52 -0.50 -1.59 118.95 121.94 2edy s ARG 49 Ca 0.11 0.51 -0.29 0.00 -0.13 0.00 0.00 55.73 55.93 2edy s ARG 49 Cb -0.10 0.41 0.02 0.00 -1.56 0.00 0.00 34.95 33.73 2edy s ARG 49 CO 0.00 -0.20 1.22 -0.51 -0.81 0.00 0.00 175.30 175.00 2edy s ASP 50 N -0.48 6.51 0.31 -2.12 1.01 -1.25 0.18 116.67 120.81 2edy s ASP 50 Ca -0.06 0.46 0.15 0.00 0.71 0.00 0.00 52.55 53.81 2edy s ASP 50 Cb -0.03 -2.55 0.81 0.00 1.01 0.00 0.00 42.92 42.17 2edy s ASP 50 CO 0.05 -1.36 1.38 2.30 0.21 0.00 0.00 175.17 177.75 2edy n ILE 51 N 6.88 0.78 0.02 0.77 -5.35 -1.18 0.63 119.36 121.91 2edy n ILE 51 Ca 0.12 0.73 0.05 0.00 -0.27 0.00 0.00 62.75 63.38 2edy n ILE 51 Cb 0.49 -1.73 -0.10 0.00 -1.74 0.00 0.00 39.64 36.56 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 -2.08 0.47 -4.85 7.28 3.02 -1.26 -4.96 115.26 112.87 2edy n ASN 52 Ca -0.01 0.19 -0.27 0.00 -0.03 0.00 0.00 54.58 54.47 2edy n ASN 52 Cb 0.23 0.94 -0.03 0.00 -0.61 0.00 0.00 39.78 40.30 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 -5.23 4.55 -0.28 6.41 0.01 0.21 -5.05 113.70 114.32 2edy s SER 53 Ca -0.05 -1.24 0.10 0.00 1.31 0.00 0.00 55.95 56.07 2edy s SER 53 Cb 0.10 0.19 0.52 0.00 0.21 0.00 0.00 66.02 67.05 2edy s SER 53 CO 0.84 -0.93 1.48 0.00 0.41 0.00 0.00 173.24 175.04 2edy n GLN 54 N -1.58 2.02 -3.45 12.44 1.13 -1.26 -4.62 117.38 122.06 2edy n GLN 54 Ca -0.04 -3.12 -0.43 0.00 -1.94 0.00 0.00 57.00 51.47 2edy n GLN 54 Cb 0.64 -1.84 -0.08 0.00 0.11 0.00 0.00 30.24 29.08 2edy n GLN 54 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2edy s GLN 55 N -3.19 2.83 0.06 -1.09 2.00 -1.26 -5.07 119.66 113.95 2edy s GLN 55 Ca 0.45 -1.50 -0.17 0.00 -2.00 0.00 0.00 55.36 52.14 2edy s GLN 55 Cb 0.40 -4.05 -0.06 0.00 0.80 0.00 0.00 33.01 30.09 2edy s GLN 55 CO 0.02 -1.09 0.51 -2.00 -0.50 0.00 0.00 175.29 172.23 2edy s GLU 56 N 1.55 4.07 0.22 1.67 2.12 -1.26 -3.96 118.70 123.11 2edy s GLU 56 Ca 0.04 0.59 -0.13 0.00 0.36 0.00 0.00 54.97 55.83 2edy s GLU 56 Cb -0.25 -3.18 -0.00 0.00 0.26 0.00 0.00 34.13 30.95 2edy s GLU 56 CO 0.04 0.63 0.44 -0.51 -0.54 0.00 0.00 175.26 175.32 2edy s LEU 57 N -1.25 0.43 0.19 2.70 1.43 -0.62 -5.03 118.68 116.53 2edy s LEU 57 Ca 0.29 -0.85 -0.23 0.00 -1.03 0.00 0.00 54.13 52.30 2edy s LEU 57 Cb -0.18 1.68 0.05 0.00 0.03 0.00 0.00 46.19 47.77 2edy s LEU 57 CO 0.17 -1.07 0.79 0.00 0.23 0.00 0.00 176.35 176.48 2edy s GLN 58 N -3.99 1.42 0.21 1.70 -2.07 -1.26 -0.22 119.66 115.44 2edy s GLN 58 Ca 0.20 -0.73 -0.01 0.00 -1.82 0.00 0.00 55.36 53.00 2edy s GLN 58 Cb 0.00 0.52 -0.04 0.00 -1.09 0.00 0.00 33.01 32.40 2edy s GLN 58 CO 0.05 -0.64 0.13 -0.80 -1.32 0.00 0.00 175.29 172.71 2edy s ASN 59 N -2.85 0.27 -0.03 12.60 0.02 0.10 -4.93 114.94 120.11 2edy s ASN 59 Ca 0.09 -1.39 0.02 0.00 -1.02 0.00 0.00 52.86 50.56 2edy s ASN 59 Cb -0.03 0.35 0.01 0.00 0.02 0.00 0.00 41.25 41.60 2edy s ASN 59 CO 0.01 -0.83 -0.08 -0.63 0.02 0.00 0.00 177.10 175.59 2edy s ILE 60 N -4.11 0.71 -0.10 0.60 1.01 -1.26 -1.10 121.20 116.95 2edy s ILE 60 Ca 0.39 -0.28 -0.13 0.00 0.00 0.00 0.00 60.65 60.63 2edy s ILE 60 Cb 0.07 -0.66 0.03 0.00 0.01 0.00 0.00 42.46 41.91 2edy s ILE 60 CO 0.12 0.24 0.34 0.28 0.00 0.00 0.00 174.94 175.92 2edy s THR 61 N 0.47 0.02 -1.29 2.92 -1.32 -1.17 -5.02 115.64 110.23 2edy s THR 61 Ca -0.07 -0.13 0.01 0.00 -1.21 0.00 0.00 61.69 60.30 2edy s THR 61 Cb -0.11 -0.53 0.06 0.00 -1.51 0.00 0.00 72.50 70.42 2edy s THR 61 CO 0.01 -0.07 0.75 0.35 -2.21 0.00 0.00 174.62 173.45 2edy n THR 62 N 2.45 0.18 -4.44 5.08 -2.24 -1.26 -3.00 114.28 111.04 2edy n THR 62 Ca -0.15 -0.10 -0.22 0.00 -2.27 0.00 0.00 64.05 61.30 2edy n THR 62 Cb 0.57 -0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.38 3.18 -0.01 3.42 1.01 -1.26 -4.95 116.67 117.68 2edy s ASP 63 Ca 0.04 -1.07 0.01 0.00 0.71 0.00 0.00 52.55 52.24 2edy s ASP 63 Cb 0.03 -0.24 0.04 0.00 1.01 0.00 0.00 42.92 43.76 2edy s ASP 63 CO 0.02 -0.11 0.74 0.35 0.21 0.00 0.00 175.17 176.38 2edy n THR 64 N -0.56 0.10 -4.17 -1.27 -2.24 -1.26 -4.72 114.28 100.16 2edy n THR 64 Ca -0.06 -0.06 -0.11 0.00 -2.27 0.00 0.00 64.05 61.55 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 1.06 -0.07 -0.78 1.04 -1.26 -1.65 118.95 115.88 2edy s ARG 65 Ca 0.03 -1.52 -0.30 0.00 -1.04 0.00 0.00 55.73 52.90 2edy s ARG 65 Cb 0.02 0.26 0.11 0.00 -2.04 0.00 0.00 34.95 33.30 2edy s ARG 65 CO 0.01 -0.32 0.96 0.12 -0.04 0.00 0.00 175.30 176.03 2edy s PHE 66 N -4.10 -0.32 -0.27 5.89 5.36 -1.23 -4.90 117.98 118.41 2edy s PHE 66 Ca 0.31 0.29 -0.01 0.00 -0.96 0.00 0.00 56.93 56.56 2edy s PHE 66 Cb 0.07 0.51 0.08 0.00 -0.34 0.00 0.00 43.02 43.35 2edy s PHE 66 CO 0.06 -0.45 0.05 0.99 -1.46 0.00 0.00 175.22 174.42 2edy s THR 67 N -2.55 0.97 1.24 0.12 2.01 -1.26 0.11 115.64 116.29 2edy s THR 67 Ca 0.04 -1.20 -0.18 0.00 0.31 0.00 0.00 61.69 60.65 2edy s THR 67 Cb -0.01 -1.58 0.27 0.00 0.01 0.00 0.00 72.50 71.19 2edy s THR 67 CO -0.06 -0.45 0.61 0.18 -0.69 0.00 0.00 174.62 174.20 2edy n LEU 68 N 4.84 -1.17 -3.74 4.42 7.99 0.15 -4.75 117.00 124.74 2edy n LEU 68 Ca -0.05 -0.52 -0.08 0.00 -0.01 0.00 0.00 56.01 55.35 2edy n LEU 68 Cb 0.44 -0.96 -0.02 0.00 -0.11 0.00 0.00 43.42 42.77 2edy n LEU 68 CO 0.13 -3.79 0.49 0.42 -1.51 0.00 0.00 177.39 173.13 2edy s THR 69 N -2.16 0.00 -1.40 -5.08 -4.23 -1.26 -3.07 115.64 98.44 2edy s THR 69 Ca 0.56 -0.70 -0.08 0.00 -1.18 0.00 0.00 61.69 60.29 2edy s THR 69 Cb -0.12 -1.74 0.04 0.00 1.34 0.00 0.00 72.50 72.02 2edy s THR 69 CO 0.52 0.00 1.01 0.61 -0.54 0.00 0.00 174.62 176.22 2edy n GLY 70 N -0.44 -0.47 3.77 3.99 0.00 -1.20 -4.93 105.19 105.92 2edy n GLY 70 Ca -0.07 0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 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 -7.10 3.60 -0.02 0.99 1.43 0.70 -5.06 118.68 113.23 2edy s LEU 71 Ca 0.46 -0.40 -0.16 0.00 -1.03 0.00 0.00 54.13 53.00 2edy s LEU 71 Cb -0.22 -2.13 -0.06 0.00 0.03 0.00 0.00 46.19 43.81 2edy s LEU 71 CO 0.78 -0.05 0.44 -0.75 0.23 0.00 0.00 176.35 177.00 2edy s LYS 72 N -3.80 4.05 0.36 1.70 2.20 -1.26 -4.33 119.74 118.66 2edy s LYS 72 Ca 0.33 0.46 -0.27 0.00 -0.36 0.00 0.00 55.97 56.13 2edy s LYS 72 Cb -0.07 -3.27 -0.09 0.00 -1.51 0.00 0.00 37.83 32.89 2edy s LYS 72 CO 0.23 0.57 1.20 -1.25 -0.36 0.00 0.00 175.35 175.75 2edy s PRO 73 N -0.71 4.22 -1.12 4.03 0.04 -0.95 -3.57 135.00 136.93 2edy s PRO 73 Ca 0.25 1.96 -0.02 0.00 0.04 0.00 0.00 61.00 63.23 2edy s PRO 73 Cb -0.17 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.51 2edy s PRO 73 CO 0.13 -0.22 0.95 -3.47 0.04 0.00 0.00 177.00 174.43 2edy n ASP 74 N 0.44 -2.83 -3.68 6.66 2.03 -1.14 -4.87 116.55 113.16 2edy n ASP 74 Ca 0.02 -0.55 -0.13 0.00 0.52 0.00 0.00 54.79 54.65 2edy n ASP 74 Cb 0.45 -4.70 -0.13 0.00 -0.72 0.00 0.00 41.12 36.02 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 -3.32 -0.30 0.20 5.18 2.01 -1.23 -4.97 115.64 113.21 2edy s THR 75 Ca 0.11 0.24 -0.32 0.00 0.31 0.00 0.00 61.69 62.02 2edy s THR 75 Cb -0.05 -0.43 -0.13 0.00 0.01 0.00 0.00 72.50 71.90 2edy s THR 75 CO 0.66 0.10 1.66 0.41 -0.69 0.00 0.00 174.62 176.77 2edy n THR 76 N 4.99 0.10 -3.95 -0.82 -1.04 -1.26 -3.01 114.28 109.30 2edy n THR 76 Ca -0.12 -0.03 -0.31 0.00 -2.04 0.00 0.00 64.05 61.55 2edy n THR 76 Cb 0.51 -1.84 -0.15 0.00 -1.82 0.00 0.00 70.33 67.03 2edy n THR 76 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2edy s TYR 77 N 0.97 2.97 -0.76 -1.42 2.02 -1.22 -3.11 117.35 116.80 2edy s TYR 77 Ca 0.75 -2.38 -0.26 0.00 -0.37 0.00 0.00 57.07 54.82 2edy s TYR 77 Cb -0.56 -2.25 -0.08 0.00 -0.40 0.00 0.00 41.96 38.67 2edy s TYR 77 CO 0.36 -0.89 2.19 0.34 -1.57 0.00 0.00 175.55 175.97 2edy s ASP 78 N 1.19 4.56 -0.15 2.29 -1.08 0.47 -2.16 116.67 121.80 2edy s ASP 78 Ca 0.05 0.01 -0.05 0.00 -0.52 0.00 0.00 52.55 52.04 2edy s ASP 78 Cb -0.19 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.69 2edy s ASP 78 CO -0.11 -3.16 0.03 -0.63 0.52 0.00 0.00 175.17 171.82 2edy s ILE 79 N 12.11 4.51 0.18 4.11 1.01 -1.26 -1.41 121.20 140.45 2edy s ILE 79 Ca 0.83 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 61.36 2edy s ILE 79 Cb -0.11 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 2edy s ILE 79 CO 0.10 0.52 0.10 2.29 0.00 0.00 0.00 174.94 177.94 2edy n LYS 80 N 3.04 0.53 -3.66 2.79 2.85 0.62 -1.44 118.16 122.89 2edy n LYS 80 Ca -0.18 -1.64 -0.10 0.00 -1.05 0.00 0.00 58.31 55.34 2edy n LYS 80 Cb 0.53 1.07 -0.05 0.00 -0.65 0.00 0.00 35.03 35.94 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 -2.43 0.07 -0.16 0.58 0.11 -1.26 -2.23 120.40 115.07 2edy s VAL 81 Ca 0.14 -0.64 -0.18 0.00 -2.93 0.00 0.00 61.98 58.37 2edy s VAL 81 Cb 0.01 -1.22 0.05 0.00 -1.53 0.00 0.00 36.38 33.69 2edy s VAL 81 CO 0.10 -0.32 0.50 0.00 -3.33 0.00 0.00 175.10 172.04 2edy s ARG 82 N -3.82 0.62 0.20 1.54 1.70 -1.17 0.46 118.95 118.49 2edy s ARG 82 Ca 0.04 0.59 -0.20 0.00 -0.47 0.00 0.00 55.73 55.69 2edy s ARG 82 Cb 0.02 0.30 -0.08 0.00 -0.57 0.00 0.00 34.95 34.62 2edy s ARG 82 CO -0.11 -0.10 0.72 0.00 -1.08 0.00 0.00 175.30 174.73 2edy s ALA 83 N 0.03 3.43 0.09 7.88 0.00 -1.26 -1.93 121.76 130.00 2edy s ALA 83 Ca -0.02 0.18 0.09 0.00 0.00 0.00 0.00 51.96 52.21 2edy s ALA 83 Cb -0.03 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 2edy s ALA 83 CO 0.02 0.33 -0.23 -1.58 0.00 0.00 0.00 175.76 174.29 2edy s TRP 84 N -1.44 2.41 0.24 0.00 0.52 0.16 -3.42 118.94 117.40 2edy s TRP 84 Ca 0.41 -0.34 0.09 0.00 0.02 0.00 0.00 56.10 56.28 2edy s TRP 84 Cb -0.18 -1.35 -0.05 0.00 -1.15 0.00 0.00 33.47 30.74 2edy s TRP 84 CO 0.22 0.27 -0.15 0.95 0.02 0.00 0.00 176.95 178.26 2edy s THR 85 N -0.98 1.97 0.63 2.01 -4.23 0.17 -0.64 115.64 114.56 2edy s THR 85 Ca 0.14 -2.27 0.21 0.00 -1.18 0.00 0.00 61.69 58.59 2edy s THR 85 Cb -0.10 -2.17 0.27 0.00 1.34 0.00 0.00 72.50 71.84 2edy s THR 85 CO 0.06 -0.50 1.45 -1.28 -0.54 0.00 0.00 174.62 173.80 2edy h SER 86 N 2.44 0.00 0.00 3.99 0.87 -1.94 -0.24 113.55 118.66 2edy h SER 86 Ca -0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2edy h SER 86 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2edy h SER 86 CO 0.62 0.00 -0.06 0.11 -0.53 0.00 0.00 176.83 176.97 2edy h LYS 87 N 0.00 0.00 0.00 2.24 6.56 -1.93 -3.51 116.57 119.93 2edy h LYS 87 Ca 0.23 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.82 2edy h LYS 87 Cb 1.95 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.61 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 1.77 1.44 3.51 3.86 0.00 -0.10 -4.95 105.19 110.72 2edy n GLY 88 Ca -0.01 0.27 -0.24 0.00 0.00 0.00 0.00 46.02 46.04 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 2.85 0.00 1.61 1.04 -1.26 -0.66 113.70 119.28 2edy s SER 89 Ca 0.00 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.03 2edy s SER 89 Cb 0.00 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.01 2edy s SER 89 CO 0.00 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.24 2edy n GLY 90 N -0.79 5.39 3.47 7.32 0.00 -1.22 -4.06 105.19 115.30 2edy n GLY 90 Ca -0.04 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 2edy n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2edy n PRO 91 N 0.00 -3.14 -4.05 1.61 -0.04 -1.25 -4.99 135.00 123.14 2edy n PRO 91 Ca 0.00 -1.73 -0.31 0.00 -0.04 0.00 0.00 63.50 61.42 2edy n PRO 91 Cb 0.00 -1.63 -0.16 0.00 -0.04 0.00 0.00 33.50 31.67 2edy n PRO 91 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2edy s LEU 92 N 0.00 1.99 0.77 1.53 1.43 -1.26 -4.55 118.68 118.58 2edy s LEU 92 Ca 0.70 -0.64 -0.15 0.00 -1.03 0.00 0.00 54.13 53.01 2edy s LEU 92 Cb -0.07 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.84 2edy s LEU 92 CO 0.54 -0.06 0.56 -1.54 0.23 0.00 0.00 176.35 176.08 2edy n SER 93 N 4.70 -1.16 -4.64 2.29 3.41 0.17 -4.86 113.62 113.54 2edy n SER 93 Ca -0.18 0.54 -0.43 0.00 -0.26 0.00 0.00 58.87 58.55 2edy n SER 93 Cb 0.49 -1.24 -0.03 0.00 -0.26 0.00 0.00 64.21 63.18 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 -3.02 3.88 0.80 4.33 0.04 -1.26 -4.35 135.00 135.41 2edy s PRO 94 Ca 0.65 1.73 -0.16 0.00 0.04 0.00 0.00 61.00 63.26 2edy s PRO 94 Cb -0.32 -4.01 -0.07 0.00 0.04 0.00 0.00 34.50 30.15 2edy s PRO 94 CO 0.59 -1.19 0.11 -1.13 0.04 0.00 0.00 177.00 175.42 2edy n SER 95 N 8.13 -2.83 -0.03 6.66 3.41 -1.26 -4.86 113.62 122.84 2edy n SER 95 Ca 0.18 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 2edy n SER 95 Cb 0.45 -1.06 -0.09 0.00 -0.26 0.00 0.00 64.21 63.25 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 -2.51 0.38 -3.32 -1.33 -5.35 -0.52 -4.92 119.36 101.79 2edy n ILE 96 Ca 0.06 -0.37 -0.16 0.00 -0.27 0.00 0.00 62.75 62.02 2edy n ILE 96 Cb 0.52 -0.25 0.08 0.00 -1.74 0.00 0.00 39.64 38.25 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 -2.16 -6.07 -2.20 6.28 6.02 -1.22 -4.89 117.38 113.14 2edy n GLN 97 Ca -0.10 0.79 -0.39 0.00 -0.01 0.00 0.00 57.00 57.29 2edy n GLN 97 Cb 0.59 -5.62 -0.03 0.00 1.02 0.00 0.00 30.24 26.19 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 -4.24 5.55 -0.29 1.08 0.15 -0.92 -4.23 113.70 110.80 2edy s SER 98 Ca 0.01 0.06 -0.29 0.00 0.70 0.00 0.00 55.95 56.42 2edy s SER 98 Cb -0.00 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.76 2edy s SER 98 CO 0.68 -2.21 1.53 -0.60 1.20 0.00 0.00 173.24 173.83 2edy s ARG 99 N 6.62 3.72 0.71 5.44 3.52 -1.26 -3.40 118.95 134.29 2edy s ARG 99 Ca 0.57 1.40 -0.17 0.00 -0.13 0.00 0.00 55.73 57.40 2edy s ARG 99 Cb -0.11 -4.02 -0.12 0.00 -1.56 0.00 0.00 34.95 29.14 2edy s ARG 99 CO 0.18 -1.38 -0.19 0.25 -0.81 0.00 0.00 175.30 173.35 2edy n THR 100 N 6.62 0.38 -2.03 4.11 -2.24 -1.16 -4.77 114.28 115.19 2edy n THR 100 Ca 0.18 -0.47 -0.41 0.00 -2.27 0.00 0.00 64.05 61.08 2edy n THR 100 Cb 0.46 -0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 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 -1.71 4.28 -0.75 -0.78 0.00 -1.23 -2.88 119.30 116.23 2edy s MET 101 Ca 0.54 2.31 -0.26 0.00 0.00 0.00 0.00 55.69 58.28 2edy s MET 101 Cb -0.37 -3.06 -0.03 0.00 0.00 0.00 0.00 34.83 31.37 2edy s MET 101 CO 0.70 -0.31 1.91 -1.25 0.00 0.00 0.00 175.02 176.06 2edy s PRO 102 N -1.56 2.59 0.00 3.16 0.04 -1.26 -3.54 135.00 134.42 2edy s PRO 102 Ca 0.52 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.73 2edy s PRO 102 Cb -0.42 -4.72 0.00 0.00 0.04 0.00 0.00 34.50 29.40 2edy s PRO 102 CO 0.53 -3.06 0.12 1.55 0.04 0.00 0.00 177.00 176.18