#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 7.10 0.50 1.61 1.04 -1.26 -5.00 113.70 117.69 2edy s SER 2 Ca 0.00 1.88 0.04 0.00 0.48 0.00 0.00 55.95 58.35 2edy s SER 2 Cb 0.00 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.57 2edy s SER 2 CO 0.00 -0.24 0.70 -0.94 0.98 0.00 0.00 173.24 173.73 2edy s SER 3 N -1.68 5.43 0.00 7.02 1.04 -1.26 -5.12 113.70 119.13 2edy s SER 3 Ca 0.54 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.81 2edy s SER 3 Cb -0.18 -0.81 0.00 0.00 0.10 0.00 0.00 66.02 65.13 2edy s SER 3 CO 0.23 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.07 2edy n GLY 4 N -2.15 1.21 2.21 7.32 0.00 -1.26 -4.91 105.19 107.60 2edy n GLY 4 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 2edy n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2edy n SER 5 N 0.00 6.31 -2.92 1.61 7.64 -1.26 -4.83 113.62 120.18 2edy n SER 5 Ca 0.00 -2.74 -0.14 0.00 1.01 0.00 0.00 58.87 57.00 2edy n SER 5 Cb 0.00 -1.39 -0.03 0.00 -1.01 0.00 0.00 64.21 61.78 2edy n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2edy n SER 6 N 2.17 -1.34 0.00 6.43 7.64 -1.26 -5.15 113.62 122.10 2edy n SER 6 Ca 0.51 -2.82 0.00 0.00 1.01 0.00 0.00 58.87 57.58 2edy n SER 6 Cb 0.67 2.49 0.00 0.00 -1.01 0.00 0.00 64.21 66.36 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 -0.56 -0.24 3.77 0.23 0.00 -1.26 -4.81 105.19 102.33 2edy n GLY 7 Ca 0.00 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.66 3.62 0.00 1.61 0.04 -1.25 -4.87 135.00 131.49 2edy s PRO 8 Ca 0.00 1.71 0.18 0.00 0.04 0.00 0.00 61.00 62.93 2edy s PRO 8 Cb 0.00 -2.26 -0.11 0.00 0.04 0.00 0.00 34.50 32.17 2edy s PRO 8 CO 0.00 -0.65 0.82 0.43 0.04 0.00 0.00 177.00 177.64 2edy n SER 9 N -0.77 1.23 -4.46 6.66 7.64 -1.26 -3.72 113.62 118.93 2edy n SER 9 Ca 0.09 -1.12 -0.24 0.00 1.01 0.00 0.00 58.87 58.61 2edy n SER 9 Cb 0.49 0.77 -0.10 0.00 -1.01 0.00 0.00 64.21 64.36 2edy n SER 9 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2edy s GLY 10 N -2.40 1.86 0.23 0.23 0.00 -1.26 -4.81 107.32 101.17 2edy s GLY 10 Ca 0.10 -1.84 0.09 0.00 0.00 0.00 0.00 44.72 43.07 2edy s GLY 10 CO 0.60 -1.92 -0.05 -0.11 0.00 0.00 0.00 173.10 171.62 2edy s PHE 11 N -2.38 2.66 1.05 1.90 -0.71 -1.26 -4.72 117.98 114.52 2edy s PHE 11 Ca 0.29 -0.22 -0.14 0.00 -1.04 0.00 0.00 56.93 55.82 2edy s PHE 11 Cb -0.05 -1.23 0.21 0.00 -1.21 0.00 0.00 43.02 40.74 2edy s PHE 11 CO 0.14 0.58 1.10 -1.25 -1.34 0.00 0.00 175.22 174.45 2edy s PRO 12 N -3.32 0.03 0.24 1.99 0.04 -1.26 -4.67 135.00 128.03 2edy s PRO 12 Ca 0.29 0.38 0.02 0.00 0.04 0.00 0.00 61.00 61.73 2edy s PRO 12 Cb -0.07 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.76 2edy s PRO 12 CO 0.18 -2.97 0.08 1.04 0.04 0.00 0.00 177.00 175.37 2edy n GLN 13 N -4.32 0.73 -2.00 4.56 1.13 -1.16 -4.83 117.38 111.49 2edy n GLN 13 Ca 0.06 -2.00 -0.18 0.00 -1.94 0.00 0.00 57.00 52.95 2edy n GLN 13 Cb 0.58 1.09 -0.04 0.00 0.11 0.00 0.00 30.24 31.98 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 -1.75 -5.17 -4.64 1.08 5.03 -1.26 -0.32 115.26 108.24 2edy n ASN 14 Ca -0.03 0.17 -0.43 0.00 0.87 0.00 0.00 54.58 55.16 2edy n ASN 14 Cb 0.35 -4.24 -0.02 0.00 -1.02 0.00 0.00 39.78 34.85 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 -4.66 3.96 0.00 3.41 2.96 -1.26 -3.80 118.68 119.29 2edy s LEU 15 Ca 0.00 1.36 -0.18 0.00 -0.22 0.00 0.00 54.13 55.09 2edy s LEU 15 Cb 0.00 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.22 2edy s LEU 15 CO 0.00 -1.00 0.88 0.00 -1.32 0.00 0.00 176.35 174.91 2edy n HIS 16 N 7.39 -1.33 -4.29 5.38 1.44 -1.20 -4.97 115.22 117.64 2edy n HIS 16 Ca 0.15 -1.15 -0.34 0.00 -2.01 0.00 0.00 57.72 54.37 2edy n HIS 16 Cb 0.46 0.56 -0.11 0.00 0.12 0.00 0.00 29.99 31.02 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 -2.13 4.27 -1.06 0.61 1.01 -1.26 -1.12 120.40 120.72 2edy s VAL 17 Ca 0.19 -0.23 0.22 0.00 0.00 0.00 0.00 61.98 62.16 2edy s VAL 17 Cb -0.03 -2.86 -0.16 0.00 0.00 0.00 0.00 36.38 33.34 2edy s VAL 17 CO 0.05 0.52 1.04 1.07 0.00 0.00 0.00 175.10 177.79 2edy n THR 18 N 3.08 0.00 0.00 3.92 5.66 -1.26 -4.82 114.28 120.86 2edy n THR 18 Ca -0.18 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 2edy n THR 18 Cb 0.53 0.83 0.00 0.00 -1.55 0.00 0.00 70.33 70.13 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 1.49 -2.08 3.53 1.09 0.00 -1.26 -5.06 105.19 102.91 2edy n GLY 19 Ca 0.05 1.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.77 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 0.00 0.56 0.02 0.99 2.34 -1.26 -3.12 118.68 118.20 2edy s LEU 20 Ca 0.00 0.99 -0.10 0.00 0.06 0.00 0.00 54.13 55.08 2edy s LEU 20 Cb 0.00 -2.81 0.01 0.00 -0.56 0.00 0.00 46.19 42.83 2edy s LEU 20 CO 0.00 -4.16 0.21 -0.89 -1.06 0.00 0.00 176.35 170.45 2edy s THR 21 N -2.73 0.09 0.28 5.48 2.01 0.60 -4.76 115.64 116.60 2edy s THR 21 Ca 0.68 -0.76 -0.05 0.00 0.31 0.00 0.00 61.69 61.87 2edy s THR 21 Cb -0.16 -0.75 0.39 0.00 0.01 0.00 0.00 72.50 71.99 2edy s THR 21 CO 0.59 -0.42 1.58 0.71 -0.69 0.00 0.00 174.62 176.39 2edy h THR 22 N 3.70 0.10 0.00 -0.82 1.35 -1.91 -3.09 112.91 112.24 2edy h THR 22 Ca -0.31 -0.01 -0.35 0.00 -0.55 0.00 0.00 66.41 65.19 2edy h THR 22 Cb 1.19 0.08 -0.06 0.00 -1.73 0.00 0.00 68.15 67.63 2edy h THR 22 CO 0.45 0.00 -2.22 -1.54 -0.25 0.00 0.00 175.52 171.96 2edy n SER 23 N -5.52 1.99 -4.96 5.36 3.41 -1.26 -2.14 113.62 110.50 2edy n SER 23 Ca 0.17 0.07 -0.22 0.00 -0.26 0.00 0.00 58.87 58.64 2edy n SER 23 Cb 0.56 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 -2.41 4.27 -0.11 6.66 -4.23 -1.17 -0.78 115.64 117.87 2edy s THR 24 Ca -0.30 -0.66 -0.04 0.00 -1.18 0.00 0.00 61.69 59.51 2edy s THR 24 Cb 0.10 -3.54 0.06 0.00 1.34 0.00 0.00 72.50 70.45 2edy s THR 24 CO 0.44 -0.32 0.20 -0.89 -0.54 0.00 0.00 174.62 173.51 2edy s THR 25 N -2.38 -0.31 0.69 3.99 2.01 -1.10 0.22 115.64 118.77 2edy s THR 25 Ca 0.45 0.29 -0.11 0.00 0.31 0.00 0.00 61.69 62.62 2edy s THR 25 Cb -0.10 -0.38 0.01 0.00 0.01 0.00 0.00 72.50 72.04 2edy s THR 25 CO 0.35 0.10 1.07 -1.61 -0.69 0.00 0.00 174.62 173.85 2edy s GLU 26 N 2.33 2.96 0.15 4.92 2.02 -1.18 0.11 118.70 130.01 2edy s GLU 26 Ca 0.03 0.63 -0.08 0.00 0.02 0.00 0.00 54.97 55.57 2edy s GLU 26 Cb -0.12 -2.02 -0.01 0.00 0.10 0.00 0.00 34.13 32.08 2edy s GLU 26 CO -0.07 -1.00 0.24 -0.51 0.02 0.00 0.00 175.26 173.94 2edy s LEU 27 N -5.39 1.13 -0.30 1.80 1.43 0.22 -4.14 118.68 113.43 2edy s LEU 27 Ca 0.58 -0.86 -0.08 0.00 -1.03 0.00 0.00 54.13 52.73 2edy s LEU 27 Cb -0.12 1.07 0.18 0.00 0.03 0.00 0.00 46.19 47.36 2edy s LEU 27 CO 0.53 -0.85 0.90 0.00 0.23 0.00 0.00 176.35 177.17 2edy s ALA 28 N -3.96 -3.18 0.30 4.21 0.00 -0.27 -3.62 121.76 115.23 2edy s ALA 28 Ca 0.16 1.47 0.02 0.00 0.00 0.00 0.00 51.96 53.60 2edy s ALA 28 Cb 0.04 -2.49 -0.01 0.00 0.00 0.00 0.00 23.12 20.66 2edy s ALA 28 CO -0.02 -1.58 0.06 -2.67 0.00 0.00 0.00 175.76 171.54 2edy n TRP 29 N 5.39 0.38 -4.39 0.00 2.14 -0.00 -3.26 117.44 117.70 2edy n TRP 29 Ca -0.02 -1.69 -0.20 0.00 2.07 0.00 0.00 57.50 57.66 2edy n TRP 29 Cb 0.54 -0.10 -0.10 0.00 -0.81 0.00 0.00 31.31 30.84 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 -2.73 2.68 0.83 -0.67 1.11 0.57 -4.69 116.67 113.77 2edy s ASP 30 Ca 0.08 -1.11 -0.11 0.00 0.18 0.00 0.00 52.55 51.59 2edy s ASP 30 Cb 0.00 -0.15 0.09 0.00 1.07 0.00 0.00 42.92 43.93 2edy s ASP 30 CO 0.06 -0.26 1.09 -2.16 1.18 0.00 0.00 175.17 175.08 2edy s PRO 31 N -3.69 1.81 0.08 8.23 0.04 -1.26 -3.01 135.00 137.20 2edy s PRO 31 Ca 0.26 1.02 -0.31 0.00 0.04 0.00 0.00 61.00 62.01 2edy s PRO 31 Cb 0.01 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.63 2edy s PRO 31 CO 0.10 -1.91 1.39 -1.25 0.04 0.00 0.00 177.00 175.36 2edy s PRO 32 N -4.92 4.32 0.11 0.56 0.04 -1.26 -4.36 135.00 129.49 2edy s PRO 32 Ca 0.62 2.03 -0.35 0.00 0.04 0.00 0.00 61.00 63.35 2edy s PRO 32 Cb -0.17 -3.35 -0.17 0.00 0.04 0.00 0.00 34.50 30.84 2edy s PRO 32 CO 0.56 -0.47 1.04 1.33 0.04 0.00 0.00 177.00 179.50 2edy n VAL 33 N 4.16 0.72 -0.41 -0.36 0.24 -1.26 -4.71 118.33 116.71 2edy n VAL 33 Ca 0.12 -0.18 0.34 0.00 -2.04 0.00 0.00 64.34 62.57 2edy n VAL 33 Cb 0.43 -0.42 0.61 0.00 -1.47 0.00 0.00 33.84 32.99 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 2.94 0.30 -0.98 1.34 8.10 -1.96 1.02 115.31 126.08 2edy h LEU 34 Ca -0.43 0.15 0.01 0.00 0.11 0.00 0.00 57.88 57.72 2edy h LEU 34 Cb 1.39 0.13 -0.05 0.00 -0.44 0.00 0.00 40.66 41.69 2edy h LEU 34 CO 0.67 -0.18 0.64 0.00 -4.11 0.00 0.00 178.44 175.45 2edy h ALA 35 N 1.68 1.24 -1.03 0.17 0.00 -2.03 -2.71 119.26 116.59 2edy h ALA 35 Ca 0.79 -0.07 -0.74 0.00 0.00 0.00 0.00 54.91 54.89 2edy h ALA 35 Cb 2.34 -0.40 -0.28 0.00 0.00 0.00 0.00 17.79 19.44 2edy h ALA 35 CO -0.47 0.65 0.90 0.39 0.00 0.00 0.00 179.25 180.71 2edy n GLU 36 N -4.39 2.79 -3.90 0.00 1.02 0.35 -4.87 120.64 111.64 2edy n GLU 36 Ca 0.11 -3.55 -0.30 0.00 -0.02 0.00 0.00 57.16 53.40 2edy n GLU 36 Cb 0.02 -2.27 -0.15 0.00 -0.02 0.00 0.00 31.44 29.01 2edy n GLU 36 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2edy s ARG 37 N -3.99 1.25 -0.08 3.49 0.52 -1.02 -4.08 118.95 115.04 2edy s ARG 37 Ca 0.54 -1.37 -0.05 0.00 -0.52 0.00 0.00 55.73 54.33 2edy s ARG 37 Cb 0.45 -2.62 -0.19 0.00 0.52 0.00 0.00 34.95 33.11 2edy s ARG 37 CO -0.32 -0.87 3.36 0.09 0.02 0.00 0.00 175.30 177.58 2edy n ASN 38 N 4.57 5.47 0.00 0.23 5.03 -1.26 -4.82 115.26 124.48 2edy n ASN 38 Ca -0.02 -2.60 0.00 0.00 0.87 0.00 0.00 54.58 52.82 2edy n ASN 38 Cb 0.43 -1.37 0.00 0.00 -1.02 0.00 0.00 39.78 37.82 2edy n ASN 38 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2edy n GLY 39 N 2.14 0.78 3.23 7.41 0.00 -1.26 -4.77 105.19 112.71 2edy n GLY 39 Ca 0.41 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 1.38 0.09 1.61 0.52 -1.26 -5.16 118.95 116.13 2edy s ARG 40 Ca 0.00 -1.75 0.07 0.00 -0.52 0.00 0.00 55.73 53.52 2edy s ARG 40 Cb 0.00 0.27 -0.04 0.00 0.52 0.00 0.00 34.95 35.71 2edy s ARG 40 CO 0.00 -0.47 -0.11 0.42 0.02 0.00 0.00 175.30 175.16 2edy s ILE 41 N -3.93 3.30 0.00 1.52 -1.09 -1.26 -4.28 121.20 115.45 2edy s ILE 41 Ca 0.39 -1.23 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 2edy s ILE 41 Cb 0.06 -2.52 0.00 0.00 -1.58 0.00 0.00 42.46 38.42 2edy s ILE 41 CO 0.17 0.16 0.00 2.30 -1.23 0.00 0.00 174.94 176.34 2edy n ILE 42 N 0.88 0.00 -3.92 2.92 -5.35 0.28 -4.92 119.36 109.26 2edy n ILE 42 Ca -0.14 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.33 2edy n ILE 42 Cb 0.52 -0.54 0.01 0.00 -1.74 0.00 0.00 39.64 37.90 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 -3.11 0.00 0.08 7.28 1.04 -1.24 -4.80 113.70 112.95 2edy s SER 43 Ca 0.00 -0.46 0.02 0.00 0.48 0.00 0.00 55.95 55.99 2edy s SER 43 Cb 0.00 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 2edy s SER 43 CO 0.00 -0.68 -0.07 -0.31 0.98 0.00 0.00 173.24 173.16 2edy s TYR 44 N -2.12 0.84 -0.30 5.02 1.51 -1.09 -0.38 117.35 120.82 2edy s TYR 44 Ca 0.25 -0.77 0.02 0.00 -1.01 0.00 0.00 57.07 55.56 2edy s TYR 44 Cb -0.01 -0.49 0.07 0.00 -0.11 0.00 0.00 41.96 41.42 2edy s TYR 44 CO 0.02 -0.12 -0.01 0.99 -1.11 0.00 0.00 175.55 175.32 2edy s THR 45 N -2.84 2.46 -0.78 -0.71 2.01 -0.93 -2.78 115.64 112.06 2edy s THR 45 Ca 0.05 -1.83 -0.25 0.00 0.31 0.00 0.00 61.69 59.96 2edy s THR 45 Cb -0.00 -2.57 0.05 0.00 0.01 0.00 0.00 72.50 69.99 2edy s THR 45 CO -0.03 -0.27 1.23 -0.69 -0.69 0.00 0.00 174.62 174.18 2edy s VAL 46 N 1.08 3.94 -0.36 3.82 1.01 0.05 -3.31 120.40 126.63 2edy s VAL 46 Ca -0.01 -0.06 -0.20 0.00 0.00 0.00 0.00 61.98 61.70 2edy s VAL 46 Cb -0.20 -4.89 0.00 0.00 0.00 0.00 0.00 36.38 31.30 2edy s VAL 46 CO -0.05 -1.77 0.63 -0.69 0.00 0.00 0.00 175.10 173.22 2edy s VAL 47 N 5.09 4.90 0.00 2.92 1.01 -1.01 -0.14 120.40 133.17 2edy s VAL 47 Ca 0.34 0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.96 2edy s VAL 47 Cb -0.08 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 2edy s VAL 47 CO 0.08 -0.31 -0.25 0.72 0.00 0.00 0.00 175.10 175.34 2edy s PHE 48 N 2.69 2.26 -0.25 5.22 -0.71 0.12 -0.23 117.98 127.07 2edy s PHE 48 Ca 0.24 -0.42 -0.22 0.00 -1.04 0.00 0.00 56.93 55.49 2edy s PHE 48 Cb -0.15 -1.42 0.07 0.00 -1.21 0.00 0.00 43.02 40.31 2edy s PHE 48 CO 0.15 0.01 0.66 0.50 -1.34 0.00 0.00 175.22 175.20 2edy s ARG 49 N -0.80 0.75 -0.27 1.99 3.52 0.49 -1.42 118.95 123.21 2edy s ARG 49 Ca 0.10 0.95 -0.29 0.00 -0.13 0.00 0.00 55.73 56.36 2edy s ARG 49 Cb -0.10 0.34 -0.01 0.00 -1.56 0.00 0.00 34.95 33.62 2edy s ARG 49 CO -0.00 -0.10 1.44 0.34 -0.81 0.00 0.00 175.30 176.17 2edy s ASP 50 N 0.53 6.53 0.00 -2.12 2.15 -1.26 0.15 116.67 122.65 2edy s ASP 50 Ca -0.01 1.36 0.03 0.00 0.43 0.00 0.00 52.55 54.35 2edy s ASP 50 Cb -0.05 -2.54 0.13 0.00 -0.30 0.00 0.00 42.92 40.17 2edy s ASP 50 CO -0.02 -1.17 1.01 2.30 -0.17 0.00 0.00 175.17 177.11 2edy n ILE 51 N 6.34 1.47 0.88 4.11 -5.35 -1.21 -0.22 119.36 125.39 2edy n ILE 51 Ca 0.16 0.37 0.10 0.00 -0.27 0.00 0.00 62.75 63.11 2edy n ILE 51 Cb 0.46 -1.32 -0.01 0.00 -1.74 0.00 0.00 39.64 37.03 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 -1.41 1.82 -4.15 7.28 3.02 -1.26 -4.99 115.26 115.57 2edy n ASN 52 Ca 0.01 -1.41 -0.23 0.00 -0.03 0.00 0.00 54.58 52.92 2edy n ASN 52 Cb 0.03 0.50 -0.09 0.00 -0.61 0.00 0.00 39.78 39.61 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 -2.27 2.34 -0.37 6.41 0.01 0.70 -5.06 113.70 115.47 2edy s SER 53 Ca 0.16 -1.58 0.06 0.00 1.31 0.00 0.00 55.95 55.90 2edy s SER 53 Cb 0.16 0.35 0.49 0.00 0.21 0.00 0.00 66.02 67.22 2edy s SER 53 CO 0.52 -0.85 1.50 0.00 0.41 0.00 0.00 173.24 174.81 2edy n GLN 54 N -0.77 2.53 -3.67 12.44 6.02 -1.26 -4.67 117.38 128.00 2edy n GLN 54 Ca -0.03 -3.51 -0.38 0.00 -0.01 0.00 0.00 57.00 53.07 2edy n GLN 54 Cb 0.65 -2.05 -0.09 0.00 1.02 0.00 0.00 30.24 29.77 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 -3.47 2.45 0.20 -1.09 2.00 -1.26 -5.08 119.66 113.41 2edy s GLN 55 Ca 0.51 -2.13 -0.27 0.00 -2.00 0.00 0.00 55.36 51.46 2edy s GLN 55 Cb 0.43 -3.78 -0.08 0.00 0.80 0.00 0.00 33.01 30.37 2edy s GLN 55 CO 0.01 -1.16 0.85 -2.00 -0.50 0.00 0.00 175.29 172.49 2edy s GLU 56 N 0.65 4.70 0.17 1.67 2.12 -1.26 -4.15 118.70 122.59 2edy s GLU 56 Ca 0.12 1.31 -0.11 0.00 0.36 0.00 0.00 54.97 56.64 2edy s GLU 56 Cb -0.22 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 30.92 2edy s GLU 56 CO -0.03 0.54 0.35 -0.51 -0.54 0.00 0.00 175.26 175.07 2edy s LEU 57 N -1.18 0.71 0.33 2.70 1.43 -0.51 -5.02 118.68 117.14 2edy s LEU 57 Ca 0.38 -0.75 -0.18 0.00 -1.03 0.00 0.00 54.13 52.55 2edy s LEU 57 Cb -0.24 1.47 0.04 0.00 0.03 0.00 0.00 46.19 47.48 2edy s LEU 57 CO 0.29 -0.94 0.75 0.00 0.23 0.00 0.00 176.35 176.68 2edy s GLN 58 N -3.94 1.99 0.23 1.70 -2.07 -1.26 0.11 119.66 116.43 2edy s GLN 58 Ca 0.14 -1.20 -0.08 0.00 -1.82 0.00 0.00 55.36 52.41 2edy s GLN 58 Cb 0.02 0.62 -0.02 0.00 -1.09 0.00 0.00 33.01 32.54 2edy s GLN 58 CO -0.01 -0.92 0.35 -0.80 -1.32 0.00 0.00 175.29 172.59 2edy s ASN 59 N -2.99 0.04 -0.02 12.60 0.02 0.80 -4.92 114.94 120.46 2edy s ASN 59 Ca 0.13 -1.12 0.02 0.00 -1.02 0.00 0.00 52.86 50.87 2edy s ASN 59 Cb -0.06 0.51 0.01 0.00 0.02 0.00 0.00 41.25 41.73 2edy s ASN 59 CO 0.09 -1.04 -0.07 -0.63 0.02 0.00 0.00 177.10 175.48 2edy s ILE 60 N -4.03 0.62 -0.13 0.60 1.01 -1.26 -0.77 121.20 117.23 2edy s ILE 60 Ca 0.29 -0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.49 2edy s ILE 60 Cb 0.02 -0.56 0.05 0.00 0.01 0.00 0.00 42.46 41.97 2edy s ILE 60 CO 0.11 0.20 0.47 0.28 0.00 0.00 0.00 174.94 176.00 2edy s THR 61 N 0.25 0.01 -0.87 2.92 -1.32 -1.12 -5.02 115.64 110.49 2edy s THR 61 Ca -0.03 -0.10 0.02 0.00 -1.21 0.00 0.00 61.69 60.37 2edy s THR 61 Cb -0.08 -0.71 0.15 0.00 -1.51 0.00 0.00 72.50 70.35 2edy s THR 61 CO 0.00 -0.05 0.72 0.35 -2.21 0.00 0.00 174.62 173.43 2edy n THR 62 N 2.25 0.49 -4.41 5.08 -2.24 -1.26 -2.67 114.28 111.51 2edy n THR 62 Ca -0.16 -0.25 -0.21 0.00 -2.27 0.00 0.00 64.05 61.17 2edy n THR 62 Cb 0.57 -0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 68.24 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 -0.14 2.96 -0.02 3.42 1.11 -1.26 -4.94 116.67 117.80 2edy s ASP 63 Ca 0.10 -1.07 0.02 0.00 0.18 0.00 0.00 52.55 51.77 2edy s ASP 63 Cb 0.07 -0.20 0.09 0.00 1.07 0.00 0.00 42.92 43.95 2edy s ASP 63 CO 0.03 -0.15 0.66 0.35 1.18 0.00 0.00 175.17 177.24 2edy n THR 64 N -0.51 0.28 -4.11 -1.27 -2.24 -1.26 -4.71 114.28 100.45 2edy n THR 64 Ca -0.06 -0.15 -0.11 0.00 -2.27 0.00 0.00 64.05 61.46 2edy n THR 64 Cb 0.61 -0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 68.32 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 -1.24 1.30 -0.13 -0.78 1.70 -1.26 -0.82 118.95 117.71 2edy s ARG 65 Ca 0.06 -1.46 -0.32 0.00 -0.47 0.00 0.00 55.73 53.53 2edy s ARG 65 Cb 0.04 0.34 0.13 0.00 -0.57 0.00 0.00 34.95 34.89 2edy s ARG 65 CO 0.02 -0.47 1.08 0.12 -1.08 0.00 0.00 175.30 174.97 2edy s PHE 66 N -4.09 -0.23 -0.22 5.89 5.36 -1.24 -4.91 117.98 118.54 2edy s PHE 66 Ca 0.31 0.20 -0.01 0.00 -0.96 0.00 0.00 56.93 56.48 2edy s PHE 66 Cb 0.04 0.51 0.06 0.00 -0.34 0.00 0.00 43.02 43.30 2edy s PHE 66 CO 0.10 -0.32 -0.00 0.99 -1.46 0.00 0.00 175.22 174.52 2edy s THR 67 N -2.36 1.04 1.35 0.12 2.01 -1.26 0.71 115.64 117.24 2edy s THR 67 Ca 0.06 -0.95 -0.20 0.00 0.31 0.00 0.00 61.69 60.92 2edy s THR 67 Cb -0.01 -1.45 0.34 0.00 0.01 0.00 0.00 72.50 71.39 2edy s THR 67 CO -0.05 -0.20 0.96 -0.76 -0.69 0.00 0.00 174.62 173.88 2edy s LEU 68 N 1.61 -0.52 0.24 4.42 2.01 0.30 -4.76 118.68 121.98 2edy s LEU 68 Ca -0.02 1.05 -0.22 0.00 0.01 0.00 0.00 54.13 54.95 2edy s LEU 68 Cb -0.18 -2.62 0.04 0.00 0.01 0.00 0.00 46.19 43.43 2edy s LEU 68 CO -0.08 -5.02 0.72 0.42 1.01 0.00 0.00 176.35 173.40 2edy s THR 69 N -2.34 0.00 -1.27 5.49 -4.23 -1.26 -2.70 115.64 109.32 2edy s THR 69 Ca 0.69 -0.73 -0.03 0.00 -1.18 0.00 0.00 61.69 60.44 2edy s THR 69 Cb -0.17 -1.76 0.01 0.00 1.34 0.00 0.00 72.50 71.92 2edy s THR 69 CO 0.60 0.00 1.00 0.61 -0.54 0.00 0.00 174.62 176.29 2edy n GLY 70 N -0.44 -0.40 3.63 3.99 0.00 -1.24 -4.90 105.19 105.82 2edy n GLY 70 Ca -0.07 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 -6.69 3.02 0.00 0.99 1.43 0.04 -5.05 118.68 112.43 2edy s LEU 71 Ca 0.18 -0.89 -0.15 0.00 -1.03 0.00 0.00 54.13 52.24 2edy s LEU 71 Cb -0.08 -1.45 -0.06 0.00 0.03 0.00 0.00 46.19 44.63 2edy s LEU 71 CO 0.75 -0.15 0.42 -0.75 0.23 0.00 0.00 176.35 176.84 2edy s LYS 72 N -3.70 3.95 0.38 1.70 2.20 -1.26 -4.15 119.74 118.85 2edy s LYS 72 Ca 0.34 0.44 -0.26 0.00 -0.36 0.00 0.00 55.97 56.12 2edy s LYS 72 Cb -0.02 -3.23 -0.09 0.00 -1.51 0.00 0.00 37.83 32.98 2edy s LYS 72 CO 0.19 0.68 1.20 -1.25 -0.36 0.00 0.00 175.35 175.81 2edy s PRO 73 N -1.05 4.16 -1.22 4.03 0.04 -0.91 -3.54 135.00 136.51 2edy s PRO 73 Ca 0.24 1.93 -0.02 0.00 0.04 0.00 0.00 61.00 63.19 2edy s PRO 73 Cb -0.17 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.56 2edy s PRO 73 CO 0.14 -0.26 1.03 -3.47 0.04 0.00 0.00 177.00 174.48 2edy n ASP 74 N 0.33 -3.17 -3.74 6.66 2.03 -1.18 -4.87 116.55 112.61 2edy n ASP 74 Ca 0.03 -0.59 -0.13 0.00 0.52 0.00 0.00 54.79 54.62 2edy n ASP 74 Cb 0.45 -5.03 -0.14 0.00 -0.72 0.00 0.00 41.12 35.69 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 -3.34 -0.04 0.24 5.18 2.01 -1.23 -4.96 115.64 113.49 2edy s THR 75 Ca 0.15 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.01 2edy s THR 75 Cb -0.07 -0.33 -0.10 0.00 0.01 0.00 0.00 72.50 72.02 2edy s THR 75 CO 0.72 0.06 1.41 -0.89 -0.69 0.00 0.00 174.62 175.24 2edy s THR 76 N 1.22 2.78 -0.26 -0.82 2.01 -1.26 -2.43 115.64 116.86 2edy s THR 76 Ca -0.09 0.65 -0.00 0.00 0.31 0.00 0.00 61.69 62.55 2edy s THR 76 Cb -0.11 -3.41 0.08 0.00 0.01 0.00 0.00 72.50 69.07 2edy s THR 76 CO -0.07 0.10 0.03 -0.31 -0.69 0.00 0.00 174.62 173.67 2edy s TYR 77 N 0.04 2.05 -0.51 4.92 2.02 -1.18 -3.30 117.35 121.40 2edy s TYR 77 Ca 0.59 -1.72 -0.26 0.00 -0.37 0.00 0.00 57.07 55.31 2edy s TYR 77 Cb -0.41 -1.67 -0.06 0.00 -0.40 0.00 0.00 41.96 39.42 2edy s TYR 77 CO 0.42 -0.80 2.29 0.34 -1.57 0.00 0.00 175.55 176.23 2edy s ASP 78 N 1.50 4.63 -0.13 2.29 -1.08 0.39 -2.34 116.67 121.93 2edy s ASP 78 Ca 0.02 0.96 -0.01 0.00 -0.52 0.00 0.00 52.55 53.00 2edy s ASP 78 Cb -0.18 -2.51 -0.02 0.00 -1.46 0.00 0.00 42.92 38.75 2edy s ASP 78 CO -0.13 -2.76 -0.11 -0.63 0.52 0.00 0.00 175.17 172.07 2edy s ILE 79 N 11.47 3.28 0.19 4.11 1.01 -1.26 -0.38 121.20 139.62 2edy s ILE 79 Ca 0.91 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 61.00 2edy s ILE 79 Cb -0.17 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.90 2edy s ILE 79 CO 0.25 0.52 0.08 2.29 0.00 0.00 0.00 174.94 178.08 2edy n LYS 80 N 3.45 0.67 -3.62 2.79 2.85 0.69 -1.27 118.16 123.72 2edy n LYS 80 Ca -0.18 -1.62 -0.13 0.00 -1.05 0.00 0.00 58.31 55.33 2edy n LYS 80 Cb 0.53 0.95 -0.06 0.00 -0.65 0.00 0.00 35.03 35.80 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 -2.33 0.04 -0.15 0.58 0.11 -1.26 -2.39 120.40 115.00 2edy s VAL 81 Ca 0.11 -0.34 -0.09 0.00 -2.93 0.00 0.00 61.98 58.73 2edy s VAL 81 Cb 0.01 -0.97 0.05 0.00 -1.53 0.00 0.00 36.38 33.94 2edy s VAL 81 CO 0.08 -0.19 0.37 0.00 -3.33 0.00 0.00 175.10 172.03 2edy s ARG 82 N -2.49 0.35 0.44 1.54 1.70 -1.21 0.32 118.95 119.60 2edy s ARG 82 Ca -0.05 0.69 -0.22 0.00 -0.47 0.00 0.00 55.73 55.68 2edy s ARG 82 Cb -0.01 -0.02 -0.09 0.00 -0.57 0.00 0.00 34.95 34.27 2edy s ARG 82 CO -0.02 -0.15 1.05 0.00 -1.08 0.00 0.00 175.30 175.11 2edy s ALA 83 N 1.21 2.99 0.01 7.88 0.00 -1.26 -2.20 121.76 130.39 2edy s ALA 83 Ca -0.08 0.68 0.08 0.00 0.00 0.00 0.00 51.96 52.64 2edy s ALA 83 Cb -0.08 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 2edy s ALA 83 CO -0.10 -0.29 -0.25 -1.58 0.00 0.00 0.00 175.76 173.55 2edy s TRP 84 N -1.77 2.20 0.29 0.00 0.52 0.49 -3.66 118.94 117.01 2edy s TRP 84 Ca 0.62 -0.41 0.10 0.00 0.02 0.00 0.00 56.10 56.42 2edy s TRP 84 Cb -0.20 -1.38 -0.05 0.00 -1.15 0.00 0.00 33.47 30.69 2edy s TRP 84 CO 0.25 0.02 -0.02 0.95 0.02 0.00 0.00 176.95 178.18 2edy s THR 85 N -0.67 3.14 0.60 2.01 -4.23 -0.27 -0.55 115.64 115.66 2edy s THR 85 Ca 0.10 -1.98 0.29 0.00 -1.18 0.00 0.00 61.69 58.92 2edy s THR 85 Cb -0.10 -2.77 0.40 0.00 1.34 0.00 0.00 72.50 71.37 2edy s THR 85 CO 0.00 -0.33 1.66 -1.28 -0.54 0.00 0.00 174.62 174.13 2edy h SER 86 N 1.90 0.00 0.06 3.99 0.87 -1.91 -1.40 113.55 117.05 2edy h SER 86 Ca -0.43 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2edy h SER 86 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2edy h SER 86 CO 0.62 0.00 -0.03 0.11 -0.53 0.00 0.00 176.83 177.00 2edy h LYS 87 N 0.00 -0.07 0.00 2.24 6.56 -1.94 -3.51 116.57 119.85 2edy h LYS 87 Ca 0.34 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.94 2edy h LYS 87 Cb 1.93 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 33.61 2edy h LYS 87 CO -0.00 -0.05 0.00 0.41 -2.06 0.00 0.00 179.45 177.75 2edy n GLY 88 N 1.59 1.76 3.48 3.86 0.00 -0.53 -4.95 105.19 110.41 2edy n GLY 88 Ca -0.01 0.29 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 2edy n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2edy n SER 89 N 0.00 1.40 0.00 1.61 2.88 -1.26 -1.12 113.62 117.13 2edy n SER 89 Ca 0.00 -3.25 0.00 0.00 -1.33 0.00 0.00 58.87 54.29 2edy n SER 89 Cb 0.00 1.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.48 2edy n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2edy n GLY 90 N -0.93 5.63 2.46 0.46 0.00 -1.24 -3.84 105.19 107.73 2edy n GLY 90 Ca -0.07 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.51 -4.04 1.61 -0.04 -1.24 -4.99 135.00 123.78 2edy n PRO 91 Ca 0.00 -1.23 -0.28 0.00 -0.04 0.00 0.00 63.50 61.95 2edy n PRO 91 Cb 0.00 -1.15 -0.17 0.00 -0.04 0.00 0.00 33.50 32.14 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 1.45 0.77 1.53 1.43 -1.26 -4.59 118.68 118.00 2edy s LEU 92 Ca 0.50 -0.38 -0.15 0.00 -1.03 0.00 0.00 54.13 53.07 2edy s LEU 92 Cb -0.05 -0.99 0.01 0.00 0.03 0.00 0.00 46.19 45.20 2edy s LEU 92 CO 0.38 -0.07 0.81 -1.54 0.23 0.00 0.00 176.35 176.16 2edy n SER 93 N 4.74 -0.24 -4.63 2.29 3.41 0.15 -4.87 113.62 114.46 2edy n SER 93 Ca -0.15 0.59 -0.43 0.00 -0.26 0.00 0.00 58.87 58.62 2edy n SER 93 Cb 0.50 -1.34 -0.03 0.00 -0.26 0.00 0.00 64.21 63.08 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 -3.34 3.82 0.82 4.33 0.04 -1.26 -4.31 135.00 135.10 2edy s PRO 94 Ca 0.69 1.68 -0.16 0.00 0.04 0.00 0.00 61.00 63.25 2edy s PRO 94 Cb -0.32 -4.03 -0.08 0.00 0.04 0.00 0.00 34.50 30.11 2edy s PRO 94 CO 0.55 -1.26 -0.08 0.45 0.04 0.00 0.00 177.00 176.69 2edy n SER 95 N 8.35 -3.52 -0.04 6.66 2.88 -1.26 -4.85 113.62 121.84 2edy n SER 95 Ca 0.19 0.41 -0.02 0.00 -1.33 0.00 0.00 58.87 58.11 2edy n SER 95 Cb 0.45 -0.99 -0.09 0.00 -0.75 0.00 0.00 64.21 62.83 2edy n SER 95 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2edy n ILE 96 N -2.50 0.57 -3.14 2.46 -5.35 -0.40 -4.90 119.36 106.11 2edy n ILE 96 Ca 0.05 -0.44 -0.14 0.00 -0.27 0.00 0.00 62.75 61.95 2edy n ILE 96 Cb 0.52 -0.42 0.07 0.00 -1.74 0.00 0.00 39.64 38.07 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 -2.29 -4.41 -2.39 6.28 6.02 -1.23 -4.91 117.38 114.44 2edy n GLN 97 Ca -0.14 0.72 -0.42 0.00 -0.01 0.00 0.00 57.00 57.15 2edy n GLN 97 Cb 0.72 -5.29 -0.03 0.00 1.02 0.00 0.00 30.24 26.66 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 -3.89 6.18 -0.38 1.08 0.15 -0.99 -4.29 113.70 111.58 2edy s SER 98 Ca 0.13 0.39 -0.29 0.00 0.70 0.00 0.00 55.95 56.88 2edy s SER 98 Cb -0.02 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.76 2edy s SER 98 CO 0.62 -1.64 1.29 -0.60 1.20 0.00 0.00 173.24 174.11 2edy s ARG 99 N 5.37 3.77 0.93 5.44 3.52 -1.26 -3.11 118.95 133.61 2edy s ARG 99 Ca 0.54 0.99 -0.17 0.00 -0.13 0.00 0.00 55.73 56.96 2edy s ARG 99 Cb -0.11 -3.93 -0.15 0.00 -1.56 0.00 0.00 34.95 29.20 2edy s ARG 99 CO 0.27 -1.31 -0.71 0.25 -0.81 0.00 0.00 175.30 172.98 2edy n THR 100 N 6.62 0.00 -2.21 4.11 -2.24 -1.02 -4.74 114.28 114.80 2edy n THR 100 Ca 0.15 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 61.02 2edy n THR 100 Cb 0.48 -0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 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 -1.87 4.43 -0.56 -0.78 0.00 -1.24 -3.13 119.30 116.14 2edy s MET 101 Ca 0.42 2.10 -0.27 0.00 0.00 0.00 0.00 55.69 57.95 2edy s MET 101 Cb -0.22 -3.11 -0.02 0.00 0.00 0.00 0.00 34.83 31.48 2edy s MET 101 CO 0.81 -0.09 1.83 -1.25 0.00 0.00 0.00 175.02 176.31 2edy s PRO 102 N -1.58 2.78 0.00 3.16 0.04 -1.26 -3.45 135.00 134.68 2edy s PRO 102 Ca 0.48 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.27 2edy s PRO 102 Cb -0.38 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 29.82 2edy s PRO 102 CO 0.49 -2.55 0.23 1.55 0.04 0.00 0.00 177.00 176.77