#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edy h SER 2 N 0.00 -0.61 -6.83 1.61 0.87 -2.05 -3.45 113.55 103.09 2edy h SER 2 Ca 0.00 0.07 -0.57 0.00 -1.23 0.00 0.00 61.79 60.06 2edy h SER 2 Cb 0.00 0.23 -0.24 0.00 -0.44 0.00 0.00 62.40 61.95 2edy h SER 2 CO 0.00 -0.30 -0.85 -1.20 -0.53 0.00 0.00 176.83 173.94 2edy n SER 3 N -5.34 -2.84 0.00 6.23 7.64 -1.26 -4.47 113.62 113.59 2edy n SER 3 Ca -0.07 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.75 2edy n SER 3 Cb 0.25 -2.54 0.00 0.00 -1.01 0.00 0.00 64.21 60.92 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 -1.39 0.65 3.32 0.23 0.00 -1.26 -4.97 105.19 101.78 2edy n GLY 4 Ca 0.06 -1.30 -0.46 0.00 0.00 0.00 0.00 46.02 44.32 2edy n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edy s SER 5 N -0.22 6.33 0.08 1.61 0.01 -1.26 -4.78 113.70 115.47 2edy s SER 5 Ca 0.00 -1.96 0.00 0.00 1.31 0.00 0.00 55.95 55.30 2edy s SER 5 Cb 0.00 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.01 2edy s SER 5 CO 0.00 -0.83 0.00 -1.54 0.41 0.00 0.00 173.24 171.28 2edy n SER 6 N 5.11 0.41 -3.08 2.44 3.41 -1.26 -5.09 113.62 115.56 2edy n SER 6 Ca -0.06 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2edy n SER 6 Cb 0.42 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 2edy n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2edy n GLY 7 N 2.80 -2.76 3.77 5.00 0.00 -1.25 -4.78 105.19 107.98 2edy n GLY 7 Ca 0.00 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.86 3.75 -0.52 1.61 0.04 -1.26 -4.86 135.00 131.90 2edy s PRO 8 Ca 0.00 1.76 0.02 0.00 0.04 0.00 0.00 61.00 62.82 2edy s PRO 8 Cb 0.00 -2.40 0.47 0.00 0.04 0.00 0.00 34.50 32.61 2edy s PRO 8 CO 0.00 -0.55 1.75 -1.13 0.04 0.00 0.00 177.00 177.11 2edy n SER 9 N -0.50 6.32 -3.50 6.66 3.41 -1.26 -3.78 113.62 120.96 2edy n SER 9 Ca 0.07 -3.77 -0.10 0.00 -0.26 0.00 0.00 58.87 54.81 2edy n SER 9 Cb 0.48 -0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 63.64 2edy n SER 9 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2edy s GLY 10 N -2.35 -0.46 0.21 5.00 0.00 -1.26 -4.95 107.32 103.51 2edy s GLY 10 Ca 0.59 1.14 0.09 0.00 0.00 0.00 0.00 44.72 46.54 2edy s GLY 10 CO 0.01 0.48 -0.07 -0.11 0.00 0.00 0.00 173.10 173.41 2edy s PHE 11 N -2.71 2.64 1.12 1.90 -0.71 -1.26 -4.54 117.98 114.43 2edy s PHE 11 Ca 0.02 -0.22 -0.16 0.00 -1.04 0.00 0.00 56.93 55.52 2edy s PHE 11 Cb -0.01 -1.24 0.25 0.00 -1.21 0.00 0.00 43.02 40.81 2edy s PHE 11 CO -0.06 0.56 1.10 -1.25 -1.34 0.00 0.00 175.22 174.23 2edy s PRO 12 N -3.14 -0.58 0.41 1.99 0.04 -1.26 -4.67 135.00 127.79 2edy s PRO 12 Ca 0.27 0.17 0.04 0.00 0.04 0.00 0.00 61.00 61.52 2edy s PRO 12 Cb -0.08 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.80 2edy s PRO 12 CO 0.17 -3.33 0.13 1.04 0.04 0.00 0.00 177.00 175.05 2edy n GLN 13 N -4.54 0.60 -2.28 4.56 1.13 -1.09 -4.81 117.38 110.95 2edy n GLN 13 Ca 0.10 -3.44 -0.21 0.00 -1.94 0.00 0.00 57.00 51.51 2edy n GLN 13 Cb 0.59 1.78 -0.02 0.00 0.11 0.00 0.00 30.24 32.69 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 -1.51 -5.80 -4.59 1.08 5.03 -1.26 -0.13 115.26 108.08 2edy n ASN 14 Ca -0.07 0.06 -0.43 0.00 0.87 0.00 0.00 54.58 55.01 2edy n ASN 14 Cb 0.61 -4.85 -0.02 0.00 -1.02 0.00 0.00 39.78 34.49 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 -5.74 3.53 0.39 3.41 2.96 -1.26 -3.87 118.68 118.09 2edy s LEU 15 Ca 0.00 0.42 -0.14 0.00 -0.22 0.00 0.00 54.13 54.19 2edy s LEU 15 Cb 0.00 -3.36 0.05 0.00 0.50 0.00 0.00 46.19 43.39 2edy s LEU 15 CO 0.00 -1.44 0.75 -1.38 -1.32 0.00 0.00 176.35 172.96 2edy s HIS 16 N 5.12 0.27 -0.25 5.38 -3.43 -1.17 -4.91 115.29 116.30 2edy s HIS 16 Ca 0.51 -0.90 -0.08 0.00 -0.80 0.00 0.00 55.06 53.79 2edy s HIS 16 Cb -0.09 0.73 -0.03 0.00 -1.43 0.00 0.00 32.58 31.75 2edy s HIS 16 CO 0.29 -1.54 0.10 0.08 -2.00 0.00 0.00 174.74 171.67 2edy s VAL 17 N -2.30 4.58 -0.11 -5.38 1.01 -1.26 -1.47 120.40 115.47 2edy s VAL 17 Ca 0.18 -0.08 0.21 0.00 0.00 0.00 0.00 61.98 62.28 2edy s VAL 17 Cb -0.04 -3.14 0.20 0.00 0.00 0.00 0.00 36.38 33.39 2edy s VAL 17 CO 0.13 0.33 1.63 0.00 0.00 0.00 0.00 175.10 177.20 2edy h THR 18 N 5.43 0.53 -0.02 3.92 1.03 -1.83 -3.43 112.91 118.53 2edy h THR 18 Ca -0.37 -1.50 0.15 0.00 -0.01 0.00 0.00 66.41 64.67 2edy h THR 18 Cb 1.18 2.07 -0.17 0.00 -1.07 0.00 0.00 68.15 70.16 2edy h THR 18 CO 0.58 0.27 -0.03 -0.83 -0.01 0.00 0.00 175.52 175.50 2edy s GLY 19 N -4.33 -1.71 1.12 2.99 0.00 -1.26 -5.07 107.32 99.05 2edy s GLY 19 Ca 0.03 1.39 -0.13 0.00 0.00 0.00 0.00 44.72 46.01 2edy s GLY 19 CO 0.68 4.46 1.05 0.48 0.00 0.00 0.00 173.10 179.78 2edy s LEU 20 N 1.79 1.00 0.04 0.66 -0.00 -1.26 -2.99 118.68 117.92 2edy s LEU 20 Ca 0.16 1.26 -0.02 0.00 -0.00 0.00 0.00 54.13 55.52 2edy s LEU 20 Cb 0.07 -3.24 -0.02 0.00 -0.00 0.00 0.00 46.19 43.00 2edy s LEU 20 CO -0.16 -3.83 0.01 -0.89 -0.00 0.00 0.00 176.35 171.49 2edy s THR 21 N -2.71 0.16 0.21 5.48 2.01 0.37 -4.65 115.64 116.51 2edy s THR 21 Ca 0.67 -1.34 -0.18 0.00 0.31 0.00 0.00 61.69 61.16 2edy s THR 21 Cb -0.21 -0.99 0.21 0.00 0.01 0.00 0.00 72.50 71.51 2edy s THR 21 CO 0.61 -0.74 1.57 0.71 -0.69 0.00 0.00 174.62 176.08 2edy h THR 22 N 3.68 0.11 0.00 -0.82 1.35 -1.91 -3.19 112.91 112.13 2edy h THR 22 Ca -0.33 0.00 -0.43 0.00 -0.55 0.00 0.00 66.41 65.10 2edy h THR 22 Cb 1.17 0.11 -0.07 0.00 -1.73 0.00 0.00 68.15 67.63 2edy h THR 22 CO 0.54 0.00 -2.48 -1.54 -0.25 0.00 0.00 175.52 171.79 2edy n SER 23 N -5.47 1.97 -4.97 5.36 3.41 -1.26 -2.06 113.62 110.61 2edy n SER 23 Ca 0.08 0.17 -0.20 0.00 -0.26 0.00 0.00 58.87 58.66 2edy n SER 23 Cb 0.38 -0.68 0.03 0.00 -0.26 0.00 0.00 64.21 63.69 2edy n SER 23 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2edy s THR 24 N -2.51 2.71 -0.20 6.66 -4.23 -1.21 -0.49 115.64 116.37 2edy s THR 24 Ca -0.37 -0.81 -0.05 0.00 -1.18 0.00 0.00 61.69 59.28 2edy s THR 24 Cb 0.12 -2.90 0.10 0.00 1.34 0.00 0.00 72.50 71.16 2edy s THR 24 CO 0.54 0.00 0.38 -0.89 -0.54 0.00 0.00 174.62 174.11 2edy s THR 25 N -2.63 -0.60 0.67 3.99 2.01 -0.98 0.14 115.64 118.23 2edy s THR 25 Ca 0.58 0.12 -0.11 0.00 0.31 0.00 0.00 61.69 62.58 2edy s THR 25 Cb -0.09 -0.67 -0.00 0.00 0.01 0.00 0.00 72.50 71.74 2edy s THR 25 CO 0.37 0.03 1.05 -1.61 -0.69 0.00 0.00 174.62 173.77 2edy s GLU 26 N 2.56 3.07 0.13 4.92 2.02 -1.16 0.67 118.70 130.91 2edy s GLU 26 Ca 0.03 0.96 -0.04 0.00 0.02 0.00 0.00 54.97 55.93 2edy s GLU 26 Cb -0.13 -2.01 -0.03 0.00 0.10 0.00 0.00 34.13 32.07 2edy s GLU 26 CO -0.13 -0.99 0.13 -0.51 0.02 0.00 0.00 175.26 173.78 2edy s LEU 27 N -5.37 1.56 -0.30 1.80 1.43 0.22 -4.01 118.68 114.01 2edy s LEU 27 Ca 0.58 -1.02 -0.09 0.00 -1.03 0.00 0.00 54.13 52.57 2edy s LEU 27 Cb -0.14 0.65 0.18 0.00 0.03 0.00 0.00 46.19 46.91 2edy s LEU 27 CO 0.53 -0.77 0.91 0.00 0.23 0.00 0.00 176.35 177.24 2edy s ALA 28 N -3.99 -3.04 0.36 4.21 0.00 -0.54 -3.69 121.76 115.07 2edy s ALA 28 Ca 0.18 1.59 0.03 0.00 0.00 0.00 0.00 51.96 53.76 2edy s ALA 28 Cb 0.06 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 2edy s ALA 28 CO -0.01 -1.40 0.11 1.67 0.00 0.00 0.00 175.76 176.12 2edy s TRP 29 N 2.91 1.80 0.25 0.00 -2.14 -0.62 -3.03 118.94 118.11 2edy s TRP 29 Ca 0.06 -1.19 0.11 0.00 2.66 0.00 0.00 56.10 57.74 2edy s TRP 29 Cb -0.12 -1.15 -0.05 0.00 -3.10 0.00 0.00 33.47 29.06 2edy s TRP 29 CO -0.14 -0.23 -0.12 0.16 -2.66 0.00 0.00 176.95 173.95 2edy s ASP 30 N -3.53 3.99 0.76 -2.66 -4.77 0.82 -4.67 116.67 106.61 2edy s ASP 30 Ca 0.30 -0.81 -0.11 0.00 -3.30 0.00 0.00 52.55 48.63 2edy s ASP 30 Cb 0.05 -0.54 0.05 0.00 -1.09 0.00 0.00 42.92 41.39 2edy s ASP 30 CO 0.15 0.05 1.09 -2.16 0.70 0.00 0.00 175.17 175.00 2edy s PRO 31 N -3.34 2.30 0.12 2.11 0.04 -1.26 -2.69 135.00 132.28 2edy s PRO 31 Ca 0.28 1.20 -0.31 0.00 0.04 0.00 0.00 61.00 62.21 2edy s PRO 31 Cb -0.06 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 2edy s PRO 31 CO 0.16 -1.62 1.36 -1.25 0.04 0.00 0.00 177.00 175.69 2edy s PRO 32 N -4.82 4.34 0.25 0.56 0.04 -1.26 -4.41 135.00 129.70 2edy s PRO 32 Ca 0.62 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.41 2edy s PRO 32 Cb -0.18 -3.25 -0.15 0.00 0.04 0.00 0.00 34.50 30.96 2edy s PRO 32 CO 0.55 -0.39 0.92 1.33 0.04 0.00 0.00 177.00 179.45 2edy n VAL 33 N 3.75 1.80 -0.36 -0.36 0.24 -1.26 -4.71 118.33 117.43 2edy n VAL 33 Ca 0.10 -0.45 0.30 0.00 -2.04 0.00 0.00 64.34 62.26 2edy n VAL 33 Cb 0.43 -0.74 0.62 0.00 -1.47 0.00 0.00 33.84 32.68 2edy n VAL 33 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 2edy h LEU 34 N 1.99 0.25 -0.60 1.34 -0.00 -2.00 0.25 115.31 116.54 2edy h LEU 34 Ca -0.38 0.07 0.07 0.00 -0.00 0.00 0.00 57.88 57.64 2edy h LEU 34 Cb 1.36 0.03 -0.06 0.00 -0.00 0.00 0.00 40.66 42.00 2edy h LEU 34 CO 0.61 0.00 0.29 0.00 -0.00 0.00 0.00 178.44 179.34 2edy h ALA 35 N 1.53 0.79 -1.95 0.17 0.00 -2.02 -3.03 119.26 114.74 2edy h ALA 35 Ca 0.64 0.04 -0.67 0.00 0.00 0.00 0.00 54.91 54.93 2edy h ALA 35 Cb 2.03 -0.04 -0.37 0.00 0.00 0.00 0.00 17.79 19.41 2edy h ALA 35 CO -0.22 -0.08 -0.05 0.39 0.00 0.00 0.00 179.25 179.29 2edy n GLU 36 N -4.89 3.91 -0.08 0.00 -0.58 0.88 -4.70 120.64 115.18 2edy n GLU 36 Ca 0.08 -4.77 -0.14 0.00 -0.42 0.00 0.00 57.16 51.91 2edy n GLU 36 Cb 0.20 -2.33 -0.06 0.00 -0.57 0.00 0.00 31.44 28.68 2edy n GLU 36 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2edy n ARG 37 N 0.02 0.36 -1.94 3.49 1.74 -1.15 -4.29 116.66 114.90 2edy n ARG 37 Ca 0.35 0.12 -0.15 0.00 -0.77 0.00 0.00 57.85 57.40 2edy n ARG 37 Cb 0.35 -1.20 -0.03 0.00 -1.02 0.00 0.00 32.46 30.57 2edy n ARG 37 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2edy n ASN 38 N -3.30 -4.56 0.00 0.55 2.85 -1.26 -4.42 115.26 105.12 2edy n ASN 38 Ca -0.29 0.14 0.00 0.00 -0.11 0.00 0.00 54.58 54.32 2edy n ASN 38 Cb 0.76 -3.57 0.00 0.00 1.24 0.00 0.00 39.78 38.21 2edy n ASN 38 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2edy n GLY 39 N -1.09 0.60 3.18 8.20 0.00 -1.26 -4.83 105.19 110.00 2edy n GLY 39 Ca -0.16 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 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 0.87 0.15 1.61 3.03 -1.26 -5.12 118.95 118.22 2edy s ARG 40 Ca 0.00 -1.22 0.01 0.00 2.03 0.00 0.00 55.73 56.55 2edy s ARG 40 Cb 0.00 -0.48 -0.04 0.00 -1.03 0.00 0.00 34.95 33.40 2edy s ARG 40 CO 0.00 0.06 0.31 0.42 -1.13 0.00 0.00 175.30 174.96 2edy s ILE 41 N -2.76 5.29 0.00 4.99 -1.09 -1.26 -4.27 121.20 122.11 2edy s ILE 41 Ca 0.08 -0.52 0.00 0.00 -2.23 0.00 0.00 60.65 57.98 2edy s ILE 41 Cb -0.01 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 2edy s ILE 41 CO -0.01 -0.07 0.00 2.30 -1.23 0.00 0.00 174.94 175.93 2edy n ILE 42 N -0.43 0.00 -3.87 2.92 -5.35 -0.63 -4.98 119.36 107.02 2edy n ILE 42 Ca -0.06 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.39 2edy n ILE 42 Cb 0.53 -0.37 0.02 0.00 -1.74 0.00 0.00 39.64 38.08 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 -2.26 -0.01 0.04 7.28 1.04 -1.25 -4.79 113.70 113.75 2edy s SER 43 Ca 0.00 -0.65 -0.00 0.00 0.48 0.00 0.00 55.95 55.77 2edy s SER 43 Cb 0.00 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 2edy s SER 43 CO 0.00 -0.98 -0.03 -0.31 0.98 0.00 0.00 173.24 172.89 2edy s TYR 44 N -2.25 0.43 -0.20 5.02 1.51 -1.16 -1.08 117.35 119.61 2edy s TYR 44 Ca 0.21 -0.83 -0.01 0.00 -1.01 0.00 0.00 57.07 55.43 2edy s TYR 44 Cb -0.02 -0.31 0.01 0.00 -0.11 0.00 0.00 41.96 41.53 2edy s TYR 44 CO 0.05 -0.29 -0.13 0.99 -1.11 0.00 0.00 175.55 175.06 2edy s THR 45 N -2.85 2.53 -0.72 -0.71 2.01 -0.85 -3.06 115.64 111.99 2edy s THR 45 Ca -0.03 -0.86 -0.17 0.00 0.31 0.00 0.00 61.69 60.95 2edy s THR 45 Cb 0.00 -2.14 0.15 0.00 0.01 0.00 0.00 72.50 70.52 2edy s THR 45 CO -0.06 0.44 0.76 -0.69 -0.69 0.00 0.00 174.62 174.38 2edy s VAL 46 N 1.34 5.14 -0.41 3.82 1.01 -0.32 -2.77 120.40 128.22 2edy s VAL 46 Ca 0.04 -1.68 -0.24 0.00 0.00 0.00 0.00 61.98 60.10 2edy s VAL 46 Cb -0.14 -4.50 0.02 0.00 0.00 0.00 0.00 36.38 31.75 2edy s VAL 46 CO -0.09 -1.11 0.84 -0.69 0.00 0.00 0.00 175.10 174.05 2edy s VAL 47 N 1.63 4.62 -0.07 2.92 1.01 -0.88 -0.93 120.40 128.71 2edy s VAL 47 Ca 0.16 0.79 0.04 0.00 0.00 0.00 0.00 61.98 62.97 2edy s VAL 47 Cb -0.17 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 2edy s VAL 47 CO -0.02 -0.62 -0.20 0.72 0.00 0.00 0.00 175.10 174.99 2edy s PHE 48 N 3.37 2.58 -0.20 5.22 -0.71 0.24 -0.71 117.98 127.77 2edy s PHE 48 Ca 0.33 -0.56 -0.13 0.00 -1.04 0.00 0.00 56.93 55.54 2edy s PHE 48 Cb -0.12 -1.66 0.06 0.00 -1.21 0.00 0.00 43.02 40.09 2edy s PHE 48 CO 0.21 -0.11 0.49 0.50 -1.34 0.00 0.00 175.22 174.97 2edy s ARG 49 N -0.21 0.51 -0.10 1.99 3.52 0.05 -1.55 118.95 123.16 2edy s ARG 49 Ca -0.01 0.85 -0.29 0.00 -0.13 0.00 0.00 55.73 56.15 2edy s ARG 49 Cb -0.13 0.09 -0.05 0.00 -1.56 0.00 0.00 34.95 33.30 2edy s ARG 49 CO 0.03 -0.13 1.67 0.34 -0.81 0.00 0.00 175.30 176.40 2edy s ASP 50 N 1.15 6.54 0.00 -2.12 2.15 -1.26 0.35 116.67 123.48 2edy s ASP 50 Ca -0.07 2.07 0.05 0.00 0.43 0.00 0.00 52.55 55.04 2edy s ASP 50 Cb -0.06 -2.53 0.27 0.00 -0.30 0.00 0.00 42.92 40.29 2edy s ASP 50 CO -0.11 -1.05 1.04 2.30 -0.17 0.00 0.00 175.17 177.18 2edy n ILE 51 N 5.80 1.04 0.79 4.11 -5.35 -1.22 -0.56 119.36 123.98 2edy n ILE 51 Ca 0.18 0.26 0.09 0.00 -0.27 0.00 0.00 62.75 63.01 2edy n ILE 51 Cb 0.43 -1.17 -0.02 0.00 -1.74 0.00 0.00 39.64 37.14 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 -1.32 1.56 -4.21 7.28 3.02 -1.26 -5.00 115.26 115.33 2edy n ASN 52 Ca 0.02 -1.28 -0.27 0.00 -0.03 0.00 0.00 54.58 53.03 2edy n ASN 52 Cb 0.05 0.57 -0.08 0.00 -0.61 0.00 0.00 39.78 39.71 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 -2.15 3.01 -0.11 6.41 0.01 0.28 -5.06 113.70 116.10 2edy s SER 53 Ca 0.13 -1.67 0.14 0.00 1.31 0.00 0.00 55.95 55.86 2edy s SER 53 Cb 0.14 0.51 0.36 0.00 0.21 0.00 0.00 66.02 67.24 2edy s SER 53 CO 0.49 -0.92 1.27 0.00 0.41 0.00 0.00 173.24 174.49 2edy n GLN 54 N -0.97 2.51 -3.15 12.44 10.64 -1.26 -4.71 117.38 132.89 2edy n GLN 54 Ca -0.08 -2.47 -0.45 0.00 -1.83 0.00 0.00 57.00 52.18 2edy n GLN 54 Cb 0.65 -1.55 -0.05 0.00 -0.86 0.00 0.00 30.24 28.43 2edy n GLN 54 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2edy s GLN 55 N -2.28 3.06 0.28 2.61 2.00 -1.26 -5.05 119.66 119.01 2edy s GLN 55 Ca 0.31 -1.25 -0.17 0.00 -2.00 0.00 0.00 55.36 52.26 2edy s GLN 55 Cb 0.24 -4.22 -0.09 0.00 0.80 0.00 0.00 33.01 29.74 2edy s GLN 55 CO 0.08 -1.43 0.72 -2.00 -0.50 0.00 0.00 175.29 172.16 2edy s GLU 56 N 2.56 4.09 0.19 1.67 -6.30 -1.26 -4.19 118.70 115.46 2edy s GLU 56 Ca 0.11 0.73 -0.20 0.00 -2.50 0.00 0.00 54.97 53.12 2edy s GLU 56 Cb -0.23 -2.62 0.04 0.00 0.00 0.00 0.00 34.13 31.32 2edy s GLU 56 CO 0.07 0.26 0.56 -0.51 0.02 0.00 0.00 175.26 175.66 2edy s LEU 57 N -2.58 -0.13 0.38 2.70 1.43 -0.60 -5.01 118.68 114.86 2edy s LEU 57 Ca 0.49 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 53.12 2edy s LEU 57 Cb -0.13 2.33 0.05 0.00 0.03 0.00 0.00 46.19 48.47 2edy s LEU 57 CO 0.19 -1.04 0.74 0.00 0.23 0.00 0.00 176.35 176.47 2edy s GLN 58 N -3.83 2.17 0.26 1.70 1.03 -1.26 0.81 119.66 120.55 2edy s GLN 58 Ca 0.06 -1.47 -0.10 0.00 0.04 0.00 0.00 55.36 53.90 2edy s GLN 58 Cb -0.01 0.60 -0.01 0.00 0.03 0.00 0.00 33.01 33.62 2edy s GLN 58 CO -0.06 -1.00 0.44 -0.80 -2.54 0.00 0.00 175.29 171.33 2edy s ASN 59 N -3.09 0.11 -0.02 12.60 0.02 -0.11 -4.91 114.94 119.55 2edy s ASN 59 Ca 0.17 -1.09 0.01 0.00 -1.02 0.00 0.00 52.86 50.93 2edy s ASN 59 Cb -0.04 0.58 0.01 0.00 0.02 0.00 0.00 41.25 41.81 2edy s ASN 59 CO 0.13 -1.14 -0.04 -0.63 0.02 0.00 0.00 177.10 175.44 2edy s ILE 60 N -3.82 0.36 -0.13 0.60 1.01 -1.26 -1.17 121.20 116.78 2edy s ILE 60 Ca 0.26 -0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.64 2edy s ILE 60 Cb 0.00 -0.36 0.04 0.00 0.01 0.00 0.00 42.46 42.15 2edy s ILE 60 CO 0.11 0.14 0.41 0.28 0.00 0.00 0.00 174.94 175.89 2edy s THR 61 N 0.38 0.01 -2.00 2.92 -1.32 -1.17 -5.02 115.64 109.43 2edy s THR 61 Ca -0.04 -0.06 0.07 0.00 -1.21 0.00 0.00 61.69 60.44 2edy s THR 61 Cb -0.07 -0.60 0.19 0.00 -1.51 0.00 0.00 72.50 70.50 2edy s THR 61 CO -0.00 -0.04 1.19 0.35 -2.21 0.00 0.00 174.62 173.91 2edy n THR 62 N 2.58 0.00 -4.27 5.08 -2.24 -1.26 -3.01 114.28 111.15 2edy n THR 62 Ca -0.14 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.40 2edy n THR 62 Cb 0.57 -0.15 -0.07 0.00 -2.10 0.00 0.00 70.33 68.58 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 -1.28 4.53 -0.00 3.42 1.01 -1.26 -4.90 116.67 118.20 2edy s ASP 63 Ca 0.10 -0.69 0.00 0.00 0.71 0.00 0.00 52.55 52.67 2edy s ASP 63 Cb 0.05 -0.81 0.00 0.00 1.01 0.00 0.00 42.92 43.17 2edy s ASP 63 CO 0.08 -0.05 0.83 0.35 0.21 0.00 0.00 175.17 176.59 2edy n THR 64 N -0.93 0.00 -4.19 -1.27 -2.24 -1.26 -4.73 114.28 99.66 2edy n THR 64 Ca -0.06 -0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.61 2edy n THR 64 Cb 0.59 -0.17 -0.10 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.67 1.06 0.03 -0.78 1.04 -1.26 -1.59 118.95 115.79 2edy s ARG 65 Ca 0.00 -1.53 -0.28 0.00 -1.04 0.00 0.00 55.73 52.89 2edy s ARG 65 Cb 0.00 0.11 0.09 0.00 -2.04 0.00 0.00 34.95 33.11 2edy s ARG 65 CO 0.00 -0.27 0.86 0.12 -0.04 0.00 0.00 175.30 175.98 2edy s PHE 66 N -3.97 -0.34 -0.17 5.89 5.36 -1.24 -4.89 117.98 118.62 2edy s PHE 66 Ca 0.28 0.18 -0.02 0.00 -0.96 0.00 0.00 56.93 56.42 2edy s PHE 66 Cb 0.07 0.55 0.05 0.00 -0.34 0.00 0.00 43.02 43.35 2edy s PHE 66 CO 0.05 -0.61 -0.00 0.99 -1.46 0.00 0.00 175.22 174.19 2edy s THR 67 N -3.21 0.74 1.16 0.12 2.01 -1.26 0.73 115.64 115.93 2edy s THR 67 Ca 0.05 -0.50 -0.16 0.00 0.31 0.00 0.00 61.69 61.39 2edy s THR 67 Cb -0.01 -1.07 0.27 0.00 0.01 0.00 0.00 72.50 71.70 2edy s THR 67 CO -0.08 -0.01 1.06 -0.76 -0.69 0.00 0.00 174.62 174.14 2edy s LEU 68 N 1.78 0.75 0.20 4.42 2.01 0.21 -4.77 118.68 123.27 2edy s LEU 68 Ca 0.00 1.02 -0.23 0.00 0.01 0.00 0.00 54.13 54.93 2edy s LEU 68 Cb -0.16 -2.89 0.05 0.00 0.01 0.00 0.00 46.19 43.21 2edy s LEU 68 CO -0.07 -4.00 0.69 0.42 1.01 0.00 0.00 176.35 174.40 2edy s THR 69 N -2.78 0.00 -1.16 5.49 -4.23 -1.26 -2.33 115.64 109.37 2edy s THR 69 Ca 0.68 -0.44 -0.04 0.00 -1.18 0.00 0.00 61.69 60.72 2edy s THR 69 Cb -0.16 -1.46 0.00 0.00 1.34 0.00 0.00 72.50 72.22 2edy s THR 69 CO 0.59 0.00 0.52 0.61 -0.54 0.00 0.00 174.62 175.79 2edy n GLY 70 N -0.41 -0.22 3.82 3.99 0.00 -1.21 -4.91 105.19 106.25 2edy n GLY 70 Ca -0.11 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 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 -5.24 3.56 -0.01 0.99 1.43 0.36 -5.05 118.68 114.72 2edy s LEU 71 Ca 0.26 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 2edy s LEU 71 Cb -0.11 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 2edy s LEU 71 CO 0.32 -0.28 0.38 -0.75 0.23 0.00 0.00 176.35 176.24 2edy s LYS 72 N -3.93 3.85 0.52 1.70 2.20 -1.26 -4.14 119.74 118.67 2edy s LYS 72 Ca 0.39 0.33 -0.21 0.00 -0.36 0.00 0.00 55.97 56.12 2edy s LYS 72 Cb -0.06 -3.20 -0.06 0.00 -1.51 0.00 0.00 37.83 33.01 2edy s LYS 72 CO 0.25 0.69 1.14 -1.25 -0.36 0.00 0.00 175.35 175.82 2edy s PRO 73 N -1.15 3.49 -1.43 4.03 0.04 -0.87 -3.50 135.00 135.61 2edy s PRO 73 Ca 0.24 1.66 -0.09 0.00 0.04 0.00 0.00 61.00 62.85 2edy s PRO 73 Cb -0.16 -2.14 0.05 0.00 0.04 0.00 0.00 34.50 32.29 2edy s PRO 73 CO 0.13 -0.75 0.96 -3.47 0.04 0.00 0.00 177.00 173.91 2edy n ASP 74 N -1.03 -4.07 -3.78 6.66 2.03 -1.21 -4.87 116.55 110.29 2edy n ASP 74 Ca 0.10 -0.74 -0.15 0.00 0.52 0.00 0.00 54.79 54.53 2edy n ASP 74 Cb 0.50 -4.21 -0.16 0.00 -0.72 0.00 0.00 41.12 36.53 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 -3.40 -0.05 0.22 5.18 2.01 -1.23 -4.96 115.64 113.41 2edy s THR 75 Ca 0.45 0.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.35 2edy s THR 75 Cb -0.22 -0.08 -0.09 0.00 0.01 0.00 0.00 72.50 72.12 2edy s THR 75 CO 0.80 0.08 1.37 -0.89 -0.69 0.00 0.00 174.62 175.29 2edy s THR 76 N 0.98 2.97 -0.21 -0.82 2.01 -1.26 -2.82 115.64 116.49 2edy s THR 76 Ca -0.08 0.80 -0.01 0.00 0.31 0.00 0.00 61.69 62.71 2edy s THR 76 Cb -0.12 -3.51 0.06 0.00 0.01 0.00 0.00 72.50 68.94 2edy s THR 76 CO -0.03 0.12 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.69 2edy s TYR 77 N 0.12 1.84 -0.64 4.92 2.02 -0.59 -3.38 117.35 121.64 2edy s TYR 77 Ca 0.58 -1.37 -0.26 0.00 -0.37 0.00 0.00 57.07 55.65 2edy s TYR 77 Cb -0.39 -1.36 -0.05 0.00 -0.40 0.00 0.00 41.96 39.77 2edy s TYR 77 CO 0.40 -0.70 2.05 0.34 -1.57 0.00 0.00 175.55 176.06 2edy s ASP 78 N 1.58 4.94 -0.13 2.29 -1.08 0.16 -1.94 116.67 122.49 2edy s ASP 78 Ca -0.04 0.33 -0.02 0.00 -0.52 0.00 0.00 52.55 52.30 2edy s ASP 78 Cb -0.18 -2.53 -0.03 0.00 -1.46 0.00 0.00 42.92 38.73 2edy s ASP 78 CO -0.07 -2.67 -0.06 -0.63 0.52 0.00 0.00 175.17 172.26 2edy s ILE 79 N 10.42 3.75 0.38 4.11 1.01 -1.26 -0.77 121.20 138.84 2edy s ILE 79 Ca 0.77 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 61.05 2edy s ILE 79 Cb -0.13 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.72 2edy s ILE 79 CO 0.17 0.53 0.22 2.29 0.00 0.00 0.00 174.94 178.15 2edy n LYS 80 N 3.11 0.49 -4.00 2.79 2.85 0.11 -1.74 118.16 121.77 2edy n LYS 80 Ca -0.18 -3.46 -0.10 0.00 -1.05 0.00 0.00 58.31 53.53 2edy n LYS 80 Cb 0.53 2.35 -0.07 0.00 -0.65 0.00 0.00 35.03 37.19 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 -3.25 0.04 -0.28 0.58 0.11 -1.26 -2.06 120.40 114.28 2edy s VAL 81 Ca 0.31 -1.47 -0.22 0.00 -2.93 0.00 0.00 61.98 57.67 2edy s VAL 81 Cb 0.02 -2.01 0.09 0.00 -1.53 0.00 0.00 36.38 32.94 2edy s VAL 81 CO 0.22 -0.19 0.78 0.00 -3.33 0.00 0.00 175.10 172.59 2edy s ARG 82 N -4.00 0.71 0.27 1.54 1.70 -1.11 0.16 118.95 118.22 2edy s ARG 82 Ca 0.21 0.97 -0.24 0.00 -0.47 0.00 0.00 55.73 56.21 2edy s ARG 82 Cb 0.03 0.28 -0.09 0.00 -0.57 0.00 0.00 34.95 34.59 2edy s ARG 82 CO 0.04 -0.11 0.85 0.00 -1.08 0.00 0.00 175.30 175.00 2edy s ALA 83 N 0.80 3.30 0.03 7.88 0.00 -1.26 -2.00 121.76 130.51 2edy s ALA 83 Ca -0.03 0.39 0.08 0.00 0.00 0.00 0.00 51.96 52.40 2edy s ALA 83 Cb -0.05 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 2edy s ALA 83 CO -0.08 0.24 -0.24 -1.58 0.00 0.00 0.00 175.76 174.11 2edy s TRP 84 N -1.54 2.40 0.36 0.00 0.52 -0.24 -3.60 118.94 116.85 2edy s TRP 84 Ca 0.46 -0.36 0.08 0.00 0.02 0.00 0.00 56.10 56.30 2edy s TRP 84 Cb -0.18 -1.44 -0.07 0.00 -1.15 0.00 0.00 33.47 30.62 2edy s TRP 84 CO 0.23 0.13 -0.04 0.95 0.02 0.00 0.00 176.95 178.24 2edy s THR 85 N -0.80 2.01 0.59 2.01 -4.23 -0.33 -1.61 115.64 113.28 2edy s THR 85 Ca 0.12 -2.11 0.29 0.00 -1.18 0.00 0.00 61.69 58.82 2edy s THR 85 Cb -0.10 -2.76 0.41 0.00 1.34 0.00 0.00 72.50 71.38 2edy s THR 85 CO 0.02 -0.13 1.72 0.77 -0.54 0.00 0.00 174.62 176.47 2edy h SER 86 N 1.97 0.00 0.17 3.99 4.64 -1.94 -1.45 113.55 120.92 2edy h SER 86 Ca -0.42 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 2edy h SER 86 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2edy h SER 86 CO 0.74 0.00 -0.08 0.11 -0.87 0.00 0.00 176.83 176.73 2edy h LYS 87 N 0.00 -0.22 0.00 4.77 6.56 -1.94 -3.51 116.57 122.24 2edy h LYS 87 Ca 0.33 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.94 2edy h LYS 87 Cb 1.80 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 33.51 2edy h LYS 87 CO -0.00 -0.15 0.00 0.41 -2.06 0.00 0.00 179.45 177.65 2edy n GLY 88 N 1.18 0.69 3.53 3.86 0.00 -0.55 -4.84 105.19 109.05 2edy n GLY 88 Ca -0.03 0.39 -0.25 0.00 0.00 0.00 0.00 46.02 46.13 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 3.48 0.00 1.61 1.04 -1.26 -1.19 113.70 119.38 2edy s SER 89 Ca 0.00 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.20 2edy s SER 89 Cb 0.00 -0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.81 2edy s SER 89 CO 0.00 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2edy n GLY 90 N -0.77 5.33 3.64 7.32 0.00 -1.24 -3.79 105.19 115.68 2edy n GLY 90 Ca -0.05 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 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 4.75 -0.34 -0.17 1.61 0.04 -1.25 -4.99 135.00 134.66 2edy s PRO 91 Ca 0.00 0.25 -0.00 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 -3.19 -0.15 -0.51 0.04 0.00 0.00 177.00 173.19 2edy s LEU 92 N -6.69 2.42 0.77 -3.56 1.43 -1.26 -4.57 118.68 107.22 2edy s LEU 92 Ca 0.68 -0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 53.11 2edy s LEU 92 Cb -0.15 -1.56 0.03 0.00 0.03 0.00 0.00 46.19 44.54 2edy s LEU 92 CO 0.57 0.04 0.97 -1.54 0.23 0.00 0.00 176.35 176.62 2edy n SER 93 N 4.36 0.33 -4.64 2.29 3.41 0.12 -4.89 113.62 114.60 2edy n SER 93 Ca -0.20 0.60 -0.43 0.00 -0.26 0.00 0.00 58.87 58.59 2edy n SER 93 Cb 0.51 -1.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.02 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 -3.59 3.95 0.49 4.33 0.04 -1.26 -4.38 135.00 134.58 2edy s PRO 94 Ca 0.71 1.79 -0.21 0.00 0.04 0.00 0.00 61.00 63.33 2edy s PRO 94 Cb -0.32 -3.99 -0.10 0.00 0.04 0.00 0.00 34.50 30.14 2edy s PRO 94 CO 0.52 -1.10 0.76 -1.13 0.04 0.00 0.00 177.00 176.10 2edy n SER 95 N 7.87 0.07 -0.06 6.66 3.41 -1.26 -4.86 113.62 125.45 2edy n SER 95 Ca 0.18 0.89 -0.00 0.00 -0.26 0.00 0.00 58.87 59.67 2edy n SER 95 Cb 0.45 -1.25 -0.15 0.00 -0.26 0.00 0.00 64.21 62.99 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 -1.11 0.71 -3.34 -1.33 -5.35 -0.71 -4.91 119.36 103.32 2edy n ILE 96 Ca 0.11 -0.65 -0.16 0.00 -0.27 0.00 0.00 62.75 61.78 2edy n ILE 96 Cb 0.43 -0.25 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 -2.48 -6.23 -2.07 6.28 6.02 -1.22 -4.92 117.38 112.77 2edy n GLN 97 Ca -0.19 0.79 -0.42 0.00 -0.01 0.00 0.00 57.00 57.17 2edy n GLN 97 Cb 0.85 -5.63 -0.03 0.00 1.02 0.00 0.00 30.24 26.46 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 -4.20 6.73 -0.39 1.08 0.15 -0.82 -4.11 113.70 112.13 2edy s SER 98 Ca 0.03 2.34 -0.18 0.00 0.70 0.00 0.00 55.95 58.84 2edy s SER 98 Cb -0.02 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.74 2edy s SER 98 CO 0.68 -0.78 0.50 -0.60 1.20 0.00 0.00 173.24 174.24 2edy s ARG 99 N 2.16 3.37 1.02 5.44 3.52 -1.26 -1.54 118.95 131.65 2edy s ARG 99 Ca 0.68 -0.43 -0.23 0.00 -0.13 0.00 0.00 55.73 55.63 2edy s ARG 99 Cb -0.37 -3.89 -0.11 0.00 -1.56 0.00 0.00 34.95 29.02 2edy s ARG 99 CO 0.30 -0.78 -0.93 0.25 -0.81 0.00 0.00 175.30 173.32 2edy n THR 100 N 5.51 0.00 -2.52 4.11 -2.24 -1.13 -4.79 114.28 113.22 2edy n THR 100 Ca -0.05 -0.18 -0.40 0.00 -2.27 0.00 0.00 64.05 61.14 2edy n THR 100 Cb 0.48 -0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.50 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 -2.42 4.66 -0.64 -0.78 0.00 -1.24 -3.34 119.30 115.54 2edy s MET 101 Ca 0.43 1.75 -0.26 0.00 0.00 0.00 0.00 55.69 57.60 2edy s MET 101 Cb -0.02 -3.22 -0.02 0.00 0.00 0.00 0.00 34.83 31.56 2edy s MET 101 CO 0.70 0.23 1.88 -1.25 0.00 0.00 0.00 175.02 176.57 2edy s PRO 102 N -1.20 2.61 0.00 3.16 0.04 -1.26 -3.29 135.00 135.07 2edy s PRO 102 Ca 0.45 0.51 0.00 0.00 0.04 0.00 0.00 61.00 62.00 2edy s PRO 102 Cb -0.31 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 29.77 2edy s PRO 102 CO 0.39 -2.81 0.20 1.55 0.04 0.00 0.00 177.00 176.37