#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 4.51 -0.56 1.61 0.01 -1.26 -5.06 113.70 112.95 2edy s SER 2 Ca 0.00 -1.24 -0.28 0.00 1.31 0.00 0.00 55.95 55.75 2edy s SER 2 Cb 0.00 0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.34 2edy s SER 2 CO 0.00 -0.86 1.43 -0.44 0.41 0.00 0.00 173.24 173.78 2edy s SER 3 N -4.08 6.11 0.00 2.44 0.01 -1.26 -4.74 113.70 112.18 2edy s SER 3 Ca 0.32 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.89 2edy s SER 3 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2edy s SER 3 CO 0.19 -1.72 0.00 0.61 0.41 0.00 0.00 173.24 172.73 2edy n GLY 4 N 5.27 3.01 3.53 3.44 0.00 -1.26 -5.17 105.19 114.01 2edy n GLY 4 Ca 0.13 -0.23 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -0.82 -0.26 1.61 0.01 -1.26 -5.14 113.70 107.85 2edy s SER 5 Ca 0.00 1.14 -0.25 0.00 1.31 0.00 0.00 55.95 58.15 2edy s SER 5 Cb 0.00 1.86 0.00 0.00 0.21 0.00 0.00 66.02 68.09 2edy s SER 5 CO 0.00 -0.16 0.87 -0.94 0.41 0.00 0.00 173.24 173.42 2edy s SER 6 N 2.49 6.85 0.00 2.44 1.04 -1.26 -4.93 113.70 120.32 2edy s SER 6 Ca -0.05 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.40 2edy s SER 6 Cb -0.08 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2edy s SER 6 CO -0.18 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.06 2edy n GLY 7 N 3.78 1.60 3.77 7.32 0.00 -1.26 -4.17 105.19 116.24 2edy n GLY 7 Ca 0.07 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.78 3.50 -0.33 1.61 0.04 -1.26 -4.82 135.00 131.96 2edy s PRO 8 Ca 0.00 1.67 0.07 0.00 0.04 0.00 0.00 61.00 62.78 2edy s PRO 8 Cb 0.00 -2.15 0.49 0.00 0.04 0.00 0.00 34.50 32.88 2edy s PRO 8 CO 0.00 -0.74 1.47 -1.13 0.04 0.00 0.00 177.00 176.64 2edy n SER 9 N -1.01 3.45 -3.67 6.66 3.41 -1.26 -3.86 113.62 117.34 2edy n SER 9 Ca 0.10 -3.79 -0.09 0.00 -0.26 0.00 0.00 58.87 54.83 2edy n SER 9 Cb 0.50 -0.62 -0.09 0.00 -0.26 0.00 0.00 64.21 63.74 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 -2.69 -0.46 0.25 5.00 0.00 -1.26 -4.89 107.32 103.28 2edy s GLY 10 Ca 0.48 1.90 -0.03 0.00 0.00 0.00 0.00 44.72 47.07 2edy s GLY 10 CO 0.00 2.00 0.48 -0.11 0.00 0.00 0.00 173.10 175.47 2edy s PHE 11 N 1.53 3.48 1.14 1.90 -0.71 -1.26 -4.74 117.98 119.32 2edy s PHE 11 Ca -0.10 0.49 -0.17 0.00 -1.04 0.00 0.00 56.93 56.11 2edy s PHE 11 Cb -0.07 -1.98 0.26 0.00 -1.21 0.00 0.00 43.02 40.02 2edy s PHE 11 CO -0.16 0.26 1.11 -1.25 -1.34 0.00 0.00 175.22 173.84 2edy s PRO 12 N -3.51 -0.72 0.30 1.99 0.04 -1.26 -4.64 135.00 127.20 2edy s PRO 12 Ca 0.41 0.11 0.04 0.00 0.04 0.00 0.00 61.00 61.60 2edy s PRO 12 Cb -0.11 -1.64 -0.02 0.00 0.04 0.00 0.00 34.50 32.78 2edy s PRO 12 CO 0.30 -3.41 0.15 1.04 0.04 0.00 0.00 177.00 175.12 2edy n GLN 13 N -4.58 0.53 -2.75 4.56 1.13 -1.00 -4.86 117.38 110.42 2edy n GLN 13 Ca 0.10 -2.65 -0.22 0.00 -1.94 0.00 0.00 57.00 52.29 2edy n GLN 13 Cb 0.59 1.71 0.02 0.00 0.11 0.00 0.00 30.24 32.66 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 -1.77 -6.06 -4.62 1.08 5.03 -1.26 0.01 115.26 107.67 2edy n ASN 14 Ca -0.01 -0.17 -0.43 0.00 0.87 0.00 0.00 54.58 54.85 2edy n ASN 14 Cb 0.47 -4.96 -0.02 0.00 -1.02 0.00 0.00 39.78 34.26 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 -6.41 3.80 0.24 3.41 2.96 -1.26 -3.83 118.68 117.59 2edy s LEU 15 Ca 0.17 0.91 -0.21 0.00 -0.22 0.00 0.00 54.13 54.78 2edy s LEU 15 Cb -0.07 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.14 2edy s LEU 15 CO 0.21 -1.10 0.96 -1.38 -1.32 0.00 0.00 176.35 173.72 2edy s HIS 16 N 4.27 0.06 -0.18 5.38 -3.43 -1.21 -4.94 115.29 115.25 2edy s HIS 16 Ca 0.51 -0.53 -0.07 0.00 -0.80 0.00 0.00 55.06 54.17 2edy s HIS 16 Cb -0.12 0.73 -0.04 0.00 -1.43 0.00 0.00 32.58 31.72 2edy s HIS 16 CO 0.24 -1.10 0.06 0.08 -2.00 0.00 0.00 174.74 172.02 2edy s VAL 17 N -2.35 4.81 -0.52 -5.38 1.01 -1.26 -0.80 120.40 115.91 2edy s VAL 17 Ca 0.19 -0.03 0.23 0.00 0.00 0.00 0.00 61.98 62.37 2edy s VAL 17 Cb -0.03 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 2edy s VAL 17 CO 0.07 0.47 1.13 1.07 0.00 0.00 0.00 175.10 177.84 2edy n THR 18 N 3.40 0.34 -2.67 3.92 5.66 -1.26 -4.76 114.28 118.91 2edy n THR 18 Ca -0.17 -0.33 -0.03 0.00 -3.05 0.00 0.00 64.05 60.47 2edy n THR 18 Cb 0.52 -0.05 0.04 0.00 -1.55 0.00 0.00 70.33 69.29 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 1.31 -1.68 3.55 1.09 0.00 -1.26 -5.07 105.19 103.13 2edy n GLY 19 Ca 0.02 1.23 -0.29 0.00 0.00 0.00 0.00 46.02 46.97 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 0.79 0.76 0.13 0.99 2.34 -1.26 -3.28 118.68 119.14 2edy s LEU 20 Ca 0.24 1.07 -0.06 0.00 0.06 0.00 0.00 54.13 55.44 2edy s LEU 20 Cb 0.14 -2.96 -0.02 0.00 -0.56 0.00 0.00 46.19 42.79 2edy s LEU 20 CO -0.10 -3.99 0.18 -0.89 -1.06 0.00 0.00 176.35 170.48 2edy s THR 21 N -2.75 0.11 0.26 5.48 2.01 0.43 -4.78 115.64 116.39 2edy s THR 21 Ca 0.68 -1.52 -0.02 0.00 0.31 0.00 0.00 61.69 61.14 2edy s THR 21 Cb -0.18 -1.75 0.25 0.00 0.01 0.00 0.00 72.50 70.83 2edy s THR 21 CO 0.59 -0.48 1.84 0.71 -0.69 0.00 0.00 174.62 176.59 2edy h THR 22 N 2.73 0.97 0.00 -0.82 1.35 -1.92 -3.22 112.91 112.00 2edy h THR 22 Ca -0.33 -0.33 -0.30 0.00 -0.55 0.00 0.00 66.41 64.90 2edy h THR 22 Cb 1.21 -0.08 -0.05 0.00 -1.73 0.00 0.00 68.15 67.50 2edy h THR 22 CO 0.54 0.18 -2.07 -1.20 -0.25 0.00 0.00 175.52 172.72 2edy n SER 23 N -4.64 2.12 -4.95 5.36 7.64 -1.26 -2.15 113.62 115.74 2edy n SER 23 Ca 0.15 0.03 -0.19 0.00 1.01 0.00 0.00 58.87 59.87 2edy n SER 23 Cb 0.26 -0.40 -0.01 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 -2.37 3.61 -0.15 0.44 -4.23 -1.24 -0.68 115.64 111.03 2edy s THR 24 Ca -0.26 -1.11 -0.04 0.00 -1.18 0.00 0.00 61.69 59.10 2edy s THR 24 Cb 0.08 -3.24 0.07 0.00 1.34 0.00 0.00 72.50 70.75 2edy s THR 24 CO 0.40 -0.12 0.21 -0.89 -0.54 0.00 0.00 174.62 173.68 2edy s THR 25 N -2.26 -0.33 0.75 3.99 2.01 -1.10 0.16 115.64 118.86 2edy s THR 25 Ca 0.46 0.14 -0.11 0.00 0.31 0.00 0.00 61.69 62.49 2edy s THR 25 Cb -0.08 -0.49 0.04 0.00 0.01 0.00 0.00 72.50 71.98 2edy s THR 25 CO 0.30 -0.00 1.08 -1.61 -0.69 0.00 0.00 174.62 173.70 2edy s GLU 26 N 2.34 2.50 0.16 4.92 2.02 -1.21 0.85 118.70 130.28 2edy s GLU 26 Ca 0.04 0.73 -0.06 0.00 0.02 0.00 0.00 54.97 55.70 2edy s GLU 26 Cb -0.14 -1.96 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 2edy s GLU 26 CO -0.09 -1.35 0.22 -0.51 0.02 0.00 0.00 175.26 173.54 2edy s LEU 27 N -5.64 1.18 -0.30 1.80 1.43 0.32 -4.14 118.68 113.33 2edy s LEU 27 Ca 0.59 -1.00 -0.10 0.00 -1.03 0.00 0.00 54.13 52.59 2edy s LEU 27 Cb -0.14 0.91 0.18 0.00 0.03 0.00 0.00 46.19 47.17 2edy s LEU 27 CO 0.54 -0.85 0.98 0.00 0.23 0.00 0.00 176.35 177.25 2edy s ALA 28 N -4.01 -3.46 0.43 4.21 0.00 0.02 -3.67 121.76 115.29 2edy s ALA 28 Ca 0.21 1.41 0.02 0.00 0.00 0.00 0.00 51.96 53.60 2edy s ALA 28 Cb 0.05 -2.58 -0.01 0.00 0.00 0.00 0.00 23.12 20.58 2edy s ALA 28 CO 0.02 -1.68 0.06 -2.67 0.00 0.00 0.00 175.76 171.49 2edy n TRP 29 N 5.35 0.65 -4.40 0.00 2.14 -0.20 -3.28 117.44 117.70 2edy n TRP 29 Ca -0.01 -2.38 -0.22 0.00 2.07 0.00 0.00 57.50 56.96 2edy n TRP 29 Cb 0.55 -0.17 -0.11 0.00 -0.81 0.00 0.00 31.31 30.77 2edy n TRP 29 CO 0.00 0.00 0.00 0.16 2.07 0.00 0.00 177.69 179.92 2edy s ASP 30 N -3.47 3.10 0.99 -0.67 -4.77 0.10 -4.68 116.67 107.27 2edy s ASP 30 Ca 0.09 -0.97 -0.12 0.00 -3.30 0.00 0.00 52.55 48.25 2edy s ASP 30 Cb 0.00 -0.22 0.18 0.00 -1.09 0.00 0.00 42.92 41.80 2edy s ASP 30 CO 0.06 -0.02 1.09 -2.16 0.70 0.00 0.00 175.17 174.85 2edy s PRO 31 N -3.27 0.52 0.52 2.11 0.04 -1.26 -2.37 135.00 131.29 2edy s PRO 31 Ca 0.24 0.55 -0.20 0.00 0.04 0.00 0.00 61.00 61.63 2edy s PRO 31 Cb -0.04 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.69 2edy s PRO 31 CO 0.10 -2.68 1.14 -1.25 0.04 0.00 0.00 177.00 174.35 2edy s PRO 32 N -4.96 3.45 0.30 0.56 0.04 -1.26 -4.33 135.00 128.79 2edy s PRO 32 Ca 0.65 1.65 -0.29 0.00 0.04 0.00 0.00 61.00 63.04 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 -0.78 1.47 0.14 0.04 0.00 0.00 177.00 178.45 2edy s VAL 33 N -1.72 2.38 0.62 -0.36 -7.23 -1.26 -4.82 120.40 108.01 2edy s VAL 33 Ca 0.71 0.34 0.22 0.00 -1.81 0.00 0.00 61.98 61.44 2edy s VAL 33 Cb -0.25 -3.22 0.31 0.00 0.56 0.00 0.00 36.38 33.79 2edy s VAL 33 CO 0.29 0.06 1.41 0.17 -0.31 0.00 0.00 175.10 176.71 2edy h LEU 34 N 4.36 0.00 -0.01 1.32 8.10 -1.99 0.58 115.31 127.66 2edy h LEU 34 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.50 2edy h LEU 34 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.44 2edy h LEU 34 CO 0.74 0.00 -0.05 0.00 -4.11 0.00 0.00 178.44 175.02 2edy h ALA 35 N 0.67 0.03 -1.94 0.17 0.00 -2.03 -3.37 119.26 112.79 2edy h ALA 35 Ca 0.31 -0.33 -0.76 0.00 0.00 0.00 0.00 54.91 54.13 2edy h ALA 35 Cb 2.26 -0.00 -0.21 0.00 0.00 0.00 0.00 17.79 19.84 2edy h ALA 35 CO -0.00 -0.12 1.09 0.39 0.00 0.00 0.00 179.25 180.61 2edy n GLU 36 N -4.73 3.46 -3.35 0.00 1.02 0.20 -4.90 120.64 112.34 2edy n GLU 36 Ca -0.09 -4.04 -0.09 0.00 -0.02 0.00 0.00 57.16 52.92 2edy n GLU 36 Cb 0.34 -2.87 -0.08 0.00 -0.02 0.00 0.00 31.44 28.81 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 0.54 0.35 -0.28 3.49 0.52 -1.25 -4.38 118.95 117.93 2edy s ARG 37 Ca 0.39 0.49 0.01 0.00 -0.52 0.00 0.00 55.73 56.10 2edy s ARG 37 Cb -0.04 -0.46 0.34 0.00 0.52 0.00 0.00 34.95 35.30 2edy s ARG 37 CO -0.02 -0.68 1.65 0.09 0.02 0.00 0.00 175.30 176.36 2edy n ASN 38 N 5.36 4.31 0.00 0.23 3.02 -1.26 -4.92 115.26 122.00 2edy n ASN 38 Ca -0.03 -2.97 0.00 0.00 -0.03 0.00 0.00 54.58 51.55 2edy n ASN 38 Cb 0.50 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 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 -0.26 -0.07 3.04 7.41 0.00 -1.26 -4.82 105.19 109.23 2edy n GLY 39 Ca 0.34 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 0.46 0.01 1.61 0.52 -1.26 -5.15 118.95 115.15 2edy s ARG 40 Ca 0.00 -0.84 -0.12 0.00 -0.52 0.00 0.00 55.73 54.25 2edy s ARG 40 Cb 0.00 0.04 -0.05 0.00 0.52 0.00 0.00 34.95 35.46 2edy s ARG 40 CO 0.00 -0.05 0.37 0.42 0.02 0.00 0.00 175.30 176.06 2edy s ILE 41 N -2.23 5.12 0.00 1.52 -1.09 -1.26 -4.24 121.20 119.02 2edy s ILE 41 Ca -0.07 0.60 0.00 0.00 -2.23 0.00 0.00 60.65 58.95 2edy s ILE 41 Cb -0.04 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.19 2edy s ILE 41 CO -0.03 0.47 0.00 2.30 -1.23 0.00 0.00 174.94 176.45 2edy n ILE 42 N 1.48 0.00 -3.77 2.92 -5.35 -0.39 -5.00 119.36 109.25 2edy n ILE 42 Ca -0.12 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.35 2edy n ILE 42 Cb 0.53 -0.89 0.00 0.00 -1.74 0.00 0.00 39.64 37.54 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 -2.83 -0.07 0.11 7.28 1.04 -1.25 -4.80 113.70 113.19 2edy s SER 43 Ca 0.00 -0.35 0.04 0.00 0.48 0.00 0.00 55.95 56.12 2edy s SER 43 Cb 0.00 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 2edy s SER 43 CO 0.00 -0.63 -0.10 -0.31 0.98 0.00 0.00 173.24 173.18 2edy s TYR 44 N -2.54 1.11 -0.20 5.02 1.51 -1.02 -0.76 117.35 120.46 2edy s TYR 44 Ca 0.18 -0.73 0.00 0.00 -1.01 0.00 0.00 57.07 55.51 2edy s TYR 44 Cb 0.01 -0.59 0.02 0.00 -0.11 0.00 0.00 41.96 41.29 2edy s TYR 44 CO 0.00 0.01 -0.16 0.99 -1.11 0.00 0.00 175.55 175.28 2edy s THR 45 N -2.91 2.29 -0.54 -0.71 2.01 -0.82 -2.75 115.64 112.20 2edy s THR 45 Ca 0.10 -0.99 -0.20 0.00 0.31 0.00 0.00 61.69 60.92 2edy s THR 45 Cb 0.00 -2.04 0.07 0.00 0.01 0.00 0.00 72.50 70.54 2edy s THR 45 CO -0.01 0.43 0.69 -0.69 -0.69 0.00 0.00 174.62 174.35 2edy s VAL 46 N 1.29 4.79 -0.38 3.82 1.01 -0.49 -2.79 120.40 127.66 2edy s VAL 46 Ca 0.03 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 2edy s VAL 46 Cb -0.14 -4.39 0.01 0.00 0.00 0.00 0.00 36.38 31.85 2edy s VAL 46 CO -0.10 -0.96 0.49 -0.69 0.00 0.00 0.00 175.10 173.85 2edy s VAL 47 N 2.83 5.02 -0.09 2.92 1.01 -0.91 -0.51 120.40 130.67 2edy s VAL 47 Ca 0.16 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.26 2edy s VAL 47 Cb -0.20 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.18 2edy s VAL 47 CO 0.11 -0.31 -0.22 0.72 0.00 0.00 0.00 175.10 175.40 2edy s PHE 48 N 2.35 2.34 -0.01 5.22 -0.71 0.30 -0.18 117.98 127.28 2edy s PHE 48 Ca 0.17 -0.94 -0.12 0.00 -1.04 0.00 0.00 56.93 55.00 2edy s PHE 48 Cb -0.16 -1.58 0.02 0.00 -1.21 0.00 0.00 43.02 40.09 2edy s PHE 48 CO 0.14 -0.38 0.25 0.50 -1.34 0.00 0.00 175.22 174.39 2edy s ARG 49 N 0.38 0.60 -0.41 1.99 3.52 -0.61 -2.15 118.95 122.27 2edy s ARG 49 Ca -0.18 -0.24 -0.29 0.00 -0.13 0.00 0.00 55.73 54.90 2edy s ARG 49 Cb -0.17 0.26 0.02 0.00 -1.56 0.00 0.00 34.95 33.50 2edy s ARG 49 CO 0.08 -0.16 1.09 -0.51 -0.81 0.00 0.00 175.30 174.99 2edy s ASP 50 N -1.30 6.75 0.00 -2.12 1.11 -1.24 0.78 116.67 120.66 2edy s ASP 50 Ca -0.13 0.69 0.02 0.00 0.18 0.00 0.00 52.55 53.30 2edy s ASP 50 Cb -0.06 -2.54 0.10 0.00 1.07 0.00 0.00 42.92 41.49 2edy s ASP 50 CO 0.03 -1.07 0.99 2.30 1.18 0.00 0.00 175.17 178.60 2edy n ILE 51 N 6.39 1.55 0.71 0.77 -5.35 -1.23 -0.28 119.36 121.90 2edy n ILE 51 Ca 0.11 0.39 0.10 0.00 -0.27 0.00 0.00 62.75 63.08 2edy n ILE 51 Cb 0.48 -1.35 -0.13 0.00 -1.74 0.00 0.00 39.64 36.90 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 -1.42 0.70 -3.96 7.28 3.02 -1.26 -4.99 115.26 114.64 2edy n ASN 52 Ca 0.01 -0.69 -0.25 0.00 -0.03 0.00 0.00 54.58 53.62 2edy n ASN 52 Cb 0.02 1.27 -0.08 0.00 -0.61 0.00 0.00 39.78 40.38 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 -3.45 2.69 -0.29 6.41 0.01 0.61 -5.05 113.70 114.62 2edy s SER 53 Ca 0.03 -1.72 0.11 0.00 1.31 0.00 0.00 55.95 55.68 2edy s SER 53 Cb 0.15 0.57 0.61 0.00 0.21 0.00 0.00 66.02 67.56 2edy s SER 53 CO 0.88 -0.99 1.61 0.00 0.41 0.00 0.00 173.24 175.15 2edy n GLN 54 N -0.89 2.75 -2.91 12.44 3.00 -1.26 -4.58 117.38 125.92 2edy n GLN 54 Ca -0.04 -3.05 -0.43 0.00 -0.01 0.00 0.00 57.00 53.47 2edy n GLN 54 Cb 0.64 -1.99 -0.04 0.00 0.00 0.00 0.00 30.24 28.86 2edy n GLN 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2edy s GLN 55 N -3.07 3.14 0.04 -1.09 2.00 -1.26 -5.03 119.66 114.41 2edy s GLN 55 Ca 0.49 -1.02 -0.19 0.00 -2.00 0.00 0.00 55.36 52.64 2edy s GLN 55 Cb 0.41 -4.30 -0.06 0.00 0.80 0.00 0.00 33.01 29.85 2edy s GLN 55 CO 0.08 -1.76 0.54 -2.00 -0.50 0.00 0.00 175.29 171.65 2edy s GLU 56 N 3.66 4.18 -0.00 1.67 2.12 -1.26 -3.66 118.70 125.41 2edy s GLU 56 Ca 0.21 0.68 -0.11 0.00 0.36 0.00 0.00 54.97 56.10 2edy s GLU 56 Cb -0.17 -3.26 0.01 0.00 0.26 0.00 0.00 34.13 30.98 2edy s GLU 56 CO 0.07 0.59 0.23 -0.51 -0.54 0.00 0.00 175.26 175.11 2edy s LEU 57 N -0.92 1.16 0.06 2.70 1.43 -0.91 -5.02 118.68 117.17 2edy s LEU 57 Ca 0.28 -0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.26 2edy s LEU 57 Cb -0.19 1.01 -0.01 0.00 0.03 0.00 0.00 46.19 47.04 2edy s LEU 57 CO 0.18 -0.43 0.12 -1.10 0.23 0.00 0.00 176.35 175.35 2edy s GLN 58 N -1.44 0.69 0.24 1.70 -0.21 -1.26 -0.54 119.66 118.84 2edy s GLN 58 Ca -0.14 -0.87 0.00 0.00 0.02 0.00 0.00 55.36 54.38 2edy s GLN 58 Cb -0.06 0.27 -0.05 0.00 1.00 0.00 0.00 33.01 34.18 2edy s GLN 58 CO 0.03 -0.19 0.12 -0.80 -2.12 0.00 0.00 175.29 172.33 2edy s ASN 59 N -2.47 0.79 -0.01 5.90 0.02 0.33 -4.96 114.94 114.54 2edy s ASN 59 Ca -0.00 -1.40 0.01 0.00 -1.02 0.00 0.00 52.86 50.45 2edy s ASN 59 Cb 0.02 0.27 0.00 0.00 0.02 0.00 0.00 41.25 41.56 2edy s ASN 59 CO -0.07 -0.79 -0.04 -0.63 0.02 0.00 0.00 177.10 175.59 2edy s ILE 60 N -3.91 0.30 -0.10 0.60 1.01 -1.26 -1.39 121.20 116.45 2edy s ILE 60 Ca 0.38 -0.14 -0.23 0.00 0.00 0.00 0.00 60.65 60.66 2edy s ILE 60 Cb 0.07 -0.27 0.05 0.00 0.01 0.00 0.00 42.46 42.32 2edy s ILE 60 CO 0.13 0.10 0.54 0.28 0.00 0.00 0.00 174.94 175.99 2edy s THR 61 N 0.02 0.01 -0.64 2.92 -1.32 -1.11 -5.01 115.64 110.51 2edy s THR 61 Ca 0.00 -0.12 0.04 0.00 -1.21 0.00 0.00 61.69 60.40 2edy s THR 61 Cb -0.03 -0.82 0.28 0.00 -1.51 0.00 0.00 72.50 70.42 2edy s THR 61 CO -0.00 -0.07 1.01 0.35 -2.21 0.00 0.00 174.62 173.70 2edy n THR 62 N 1.69 1.11 -4.36 5.08 -2.24 -1.26 -2.43 114.28 111.87 2edy n THR 62 Ca -0.18 -0.53 -0.19 0.00 -2.27 0.00 0.00 64.05 60.89 2edy n THR 62 Cb 0.56 -0.49 -0.10 0.00 -2.10 0.00 0.00 70.33 68.21 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 -0.20 2.55 -0.00 3.42 1.01 -1.26 -4.94 116.67 117.25 2edy s ASP 63 Ca 0.20 -1.08 0.00 0.00 0.71 0.00 0.00 52.55 52.37 2edy s ASP 63 Cb 0.15 -0.13 0.00 0.00 1.01 0.00 0.00 42.92 43.96 2edy s ASP 63 CO 0.05 -0.25 0.71 0.35 0.21 0.00 0.00 175.17 176.24 2edy n THR 64 N -0.43 0.01 -4.20 -1.27 -2.24 -1.26 -4.67 114.28 100.22 2edy n THR 64 Ca -0.07 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.56 2edy n THR 64 Cb 0.61 -0.30 -0.09 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.41 1.39 -0.11 -0.78 1.70 -1.26 -1.03 118.95 117.46 2edy s ARG 65 Ca 0.00 -1.71 -0.32 0.00 -0.47 0.00 0.00 55.73 53.23 2edy s ARG 65 Cb 0.00 0.30 0.12 0.00 -0.57 0.00 0.00 34.95 34.81 2edy s ARG 65 CO 0.00 -0.49 1.07 0.12 -1.08 0.00 0.00 175.30 174.92 2edy s PHE 66 N -3.92 -0.22 -0.21 5.89 5.36 -1.24 -4.89 117.98 118.74 2edy s PHE 66 Ca 0.38 0.13 -0.02 0.00 -0.96 0.00 0.00 56.93 56.47 2edy s PHE 66 Cb 0.05 0.53 0.06 0.00 -0.34 0.00 0.00 43.02 43.32 2edy s PHE 66 CO 0.16 -0.35 0.01 0.99 -1.46 0.00 0.00 175.22 174.56 2edy s THR 67 N -2.73 0.88 1.28 0.12 2.01 -1.26 0.12 115.64 116.07 2edy s THR 67 Ca 0.08 -0.82 -0.18 0.00 0.31 0.00 0.00 61.69 61.08 2edy s THR 67 Cb -0.01 -1.32 0.32 0.00 0.01 0.00 0.00 72.50 71.50 2edy s THR 67 CO -0.06 -0.19 0.99 -0.76 -0.69 0.00 0.00 174.62 173.90 2edy s LEU 68 N 1.69 -0.07 0.23 4.42 2.01 0.25 -4.77 118.68 122.44 2edy s LEU 68 Ca -0.02 1.11 -0.22 0.00 0.01 0.00 0.00 54.13 55.01 2edy s LEU 68 Cb -0.18 -2.79 0.04 0.00 0.01 0.00 0.00 46.19 43.27 2edy s LEU 68 CO -0.08 -4.70 0.72 0.42 1.01 0.00 0.00 176.35 173.72 2edy s THR 69 N -2.45 0.00 -1.64 5.49 -4.23 -1.26 -2.71 115.64 108.85 2edy s THR 69 Ca 0.69 -0.70 -0.01 0.00 -1.18 0.00 0.00 61.69 60.48 2edy s THR 69 Cb -0.18 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 71.93 2edy s THR 69 CO 0.61 0.00 0.19 0.61 -0.54 0.00 0.00 174.62 175.48 2edy n GLY 70 N -0.44 -0.46 3.94 3.99 0.00 -1.23 -4.93 105.19 106.06 2edy n GLY 70 Ca -0.07 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.95 4.25 0.09 0.99 1.43 0.14 -5.06 118.68 114.57 2edy s LEU 71 Ca 0.09 0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 53.10 2edy s LEU 71 Cb -0.04 -2.81 -0.07 0.00 0.03 0.00 0.00 46.19 43.31 2edy s LEU 71 CO 0.12 -0.01 0.53 -0.75 0.23 0.00 0.00 176.35 176.46 2edy s LYS 72 N -3.64 4.05 0.51 1.70 2.20 -1.26 -4.22 119.74 119.09 2edy s LYS 72 Ca 0.34 0.57 -0.21 0.00 -0.36 0.00 0.00 55.97 56.31 2edy s LYS 72 Cb -0.10 -3.11 -0.06 0.00 -1.51 0.00 0.00 37.83 33.05 2edy s LYS 72 CO 0.28 0.59 1.14 -1.25 -0.36 0.00 0.00 175.35 175.75 2edy s PRO 73 N -1.45 3.51 -1.31 4.03 0.04 -0.91 -3.67 135.00 135.24 2edy s PRO 73 Ca 0.31 1.67 -0.01 0.00 0.04 0.00 0.00 61.00 63.02 2edy s PRO 73 Cb -0.17 -2.15 -0.00 0.00 0.04 0.00 0.00 34.50 32.21 2edy s PRO 73 CO 0.18 -0.74 0.67 -3.47 0.04 0.00 0.00 177.00 173.68 2edy n ASP 74 N -1.00 -1.25 -3.72 6.66 2.03 -1.16 -4.90 116.55 113.22 2edy n ASP 74 Ca 0.10 -0.85 -0.12 0.00 0.52 0.00 0.00 54.79 54.44 2edy n ASP 74 Cb 0.50 -3.94 -0.13 0.00 -0.72 0.00 0.00 41.12 36.83 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 -3.70 -0.06 0.17 5.18 2.01 -1.24 -4.96 115.64 113.04 2edy s THR 75 Ca 0.02 0.15 -0.31 0.00 0.31 0.00 0.00 61.69 61.86 2edy s THR 75 Cb -0.01 -0.39 -0.10 0.00 0.01 0.00 0.00 72.50 72.02 2edy s THR 75 CO 0.82 0.06 1.50 -0.89 -0.69 0.00 0.00 174.62 175.42 2edy s THR 76 N 1.32 2.81 -0.26 -0.82 2.01 -1.26 -2.59 115.64 116.84 2edy s THR 76 Ca -0.09 0.59 0.01 0.00 0.31 0.00 0.00 61.69 62.51 2edy s THR 76 Cb -0.10 -3.38 0.07 0.00 0.01 0.00 0.00 72.50 69.10 2edy s THR 76 CO -0.09 0.06 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.58 2edy s TYR 77 N 0.91 2.40 -0.73 4.92 2.02 -1.16 -3.50 117.35 122.21 2edy s TYR 77 Ca 0.67 -1.88 -0.26 0.00 -0.37 0.00 0.00 57.07 55.23 2edy s TYR 77 Cb -0.42 -1.77 -0.06 0.00 -0.40 0.00 0.00 41.96 39.31 2edy s TYR 77 CO 0.33 -0.81 2.11 0.34 -1.57 0.00 0.00 175.55 175.95 2edy s ASP 78 N 1.39 4.77 -0.13 2.29 -1.08 0.23 -2.14 116.67 122.00 2edy s ASP 78 Ca -0.00 0.06 -0.04 0.00 -0.52 0.00 0.00 52.55 52.05 2edy s ASP 78 Cb -0.19 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.70 2edy s ASP 78 CO -0.10 -2.93 0.01 -0.63 0.52 0.00 0.00 175.17 172.05 2edy s ILE 79 N 11.24 4.33 0.19 4.11 1.01 -1.26 -1.57 121.20 139.25 2edy s ILE 79 Ca 0.79 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 61.26 2edy s ILE 79 Cb -0.11 -2.88 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 2edy s ILE 79 CO 0.12 0.54 0.12 2.29 0.00 0.00 0.00 174.94 178.00 2edy n LYS 80 N 2.89 0.44 -3.77 2.79 2.85 0.74 -1.55 118.16 122.55 2edy n LYS 80 Ca -0.18 -1.77 -0.10 0.00 -1.05 0.00 0.00 58.31 55.22 2edy n LYS 80 Cb 0.53 1.23 -0.05 0.00 -0.65 0.00 0.00 35.03 36.09 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 -2.55 0.07 -0.18 0.58 0.11 -1.26 -2.15 120.40 115.03 2edy s VAL 81 Ca 0.16 -0.91 -0.22 0.00 -2.93 0.00 0.00 61.98 58.09 2edy s VAL 81 Cb 0.01 -1.46 0.06 0.00 -1.53 0.00 0.00 36.38 33.45 2edy s VAL 81 CO 0.12 -0.30 0.58 0.00 -3.33 0.00 0.00 175.10 172.16 2edy s ARG 82 N -3.87 0.74 0.18 1.54 1.70 -1.12 0.17 118.95 118.29 2edy s ARG 82 Ca 0.08 0.66 -0.20 0.00 -0.47 0.00 0.00 55.73 55.79 2edy s ARG 82 Cb 0.02 0.36 -0.08 0.00 -0.57 0.00 0.00 34.95 34.68 2edy s ARG 82 CO -0.07 -0.13 0.69 0.00 -1.08 0.00 0.00 175.30 174.72 2edy s ALA 83 N -0.04 3.46 0.06 7.88 0.00 -1.26 -1.95 121.76 129.91 2edy s ALA 83 Ca -0.03 0.16 0.09 0.00 0.00 0.00 0.00 51.96 52.18 2edy s ALA 83 Cb -0.04 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 2edy s ALA 83 CO 0.02 0.34 -0.23 -1.58 0.00 0.00 0.00 175.76 174.32 2edy s TRP 84 N -1.37 2.42 0.43 0.00 0.52 0.06 -3.19 118.94 117.82 2edy s TRP 84 Ca 0.39 -0.34 0.05 0.00 0.02 0.00 0.00 56.10 56.21 2edy s TRP 84 Cb -0.18 -1.40 -0.06 0.00 -1.15 0.00 0.00 33.47 30.68 2edy s TRP 84 CO 0.22 0.21 0.02 0.95 0.02 0.00 0.00 176.95 178.36 2edy s THR 85 N -0.90 1.61 0.61 2.01 -4.23 0.21 -1.27 115.64 113.69 2edy s THR 85 Ca 0.13 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.94 2edy s THR 85 Cb -0.10 -2.69 0.35 0.00 1.34 0.00 0.00 72.50 71.40 2edy s THR 85 CO 0.04 0.00 1.96 0.77 -0.54 0.00 0.00 174.62 176.85 2edy h SER 86 N 1.67 0.00 0.00 3.99 4.64 -1.96 -2.41 113.55 119.48 2edy h SER 86 Ca -0.43 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2edy h SER 86 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2edy h SER 86 CO 0.77 0.00 -0.10 0.11 -0.87 0.00 0.00 176.83 176.74 2edy h LYS 87 N 0.00 0.00 0.00 4.77 6.56 -1.94 -3.51 116.57 122.45 2edy h LYS 87 Ca 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 2edy h LYS 87 Cb 0.84 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.50 2edy h LYS 87 CO -0.00 0.10 0.00 0.41 -2.06 0.00 0.00 179.45 177.90 2edy n GLY 88 N 1.74 0.91 3.64 3.86 0.00 -0.91 -4.96 105.19 109.46 2edy n GLY 88 Ca -0.02 0.40 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 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 3.52 0.00 1.61 1.04 -1.26 -0.62 113.70 119.99 2edy s SER 89 Ca 0.00 -1.60 0.00 0.00 0.48 0.00 0.00 55.95 54.83 2edy s SER 89 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2edy s SER 89 CO 0.00 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.03 2edy n GLY 90 N -1.06 5.41 3.65 7.32 0.00 -1.19 -3.99 105.19 115.33 2edy n GLY 90 Ca -0.12 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 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 4.92 -0.07 -0.18 1.61 0.04 -1.25 -4.97 135.00 135.11 2edy s PRO 91 Ca 0.00 0.35 -0.00 0.00 0.04 0.00 0.00 61.00 61.39 2edy s PRO 91 Cb 0.00 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.85 2edy s PRO 91 CO 0.00 -3.03 -0.15 -0.51 0.04 0.00 0.00 177.00 173.35 2edy s LEU 92 N -6.61 2.43 0.78 -3.56 1.43 -1.26 -4.47 118.68 107.42 2edy s LEU 92 Ca 0.67 -0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 53.10 2edy s LEU 92 Cb -0.17 -1.57 0.05 0.00 0.03 0.00 0.00 46.19 44.54 2edy s LEU 92 CO 0.57 0.03 1.07 -1.54 0.23 0.00 0.00 176.35 176.72 2edy n SER 93 N 4.41 0.66 -4.64 2.29 3.41 0.13 -4.89 113.62 114.98 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 -1.45 -0.03 0.00 -0.26 0.00 0.00 64.21 62.98 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 -3.79 3.94 0.61 4.33 0.04 -1.26 -4.38 135.00 134.49 2edy s PRO 94 Ca 0.73 1.78 -0.18 0.00 0.04 0.00 0.00 61.00 63.37 2edy s PRO 94 Cb -0.31 -3.99 -0.07 0.00 0.04 0.00 0.00 34.50 30.17 2edy s PRO 94 CO 0.51 -1.12 0.55 -1.13 0.04 0.00 0.00 177.00 175.85 2edy n SER 95 N 7.92 -0.97 -0.04 6.66 3.41 -1.26 -4.86 113.62 124.49 2edy n SER 95 Ca 0.18 0.70 0.00 0.00 -0.26 0.00 0.00 58.87 59.49 2edy n SER 95 Cb 0.45 -1.20 -0.12 0.00 -0.26 0.00 0.00 64.21 63.07 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 -1.87 0.52 -3.44 -1.33 -5.35 -0.60 -4.92 119.36 102.38 2edy n ILE 96 Ca 0.11 -0.51 -0.18 0.00 -0.27 0.00 0.00 62.75 61.90 2edy n ILE 96 Cb 0.48 -0.23 0.09 0.00 -1.74 0.00 0.00 39.64 38.23 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 -2.32 -6.79 -2.14 6.28 6.02 -1.21 -4.89 117.38 112.33 2edy n GLN 97 Ca -0.14 0.83 -0.43 0.00 -0.01 0.00 0.00 57.00 57.25 2edy n GLN 97 Cb 0.71 -5.82 -0.02 0.00 1.02 0.00 0.00 30.24 26.12 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 -4.14 6.07 -0.42 1.08 0.15 -0.91 -4.13 113.70 111.40 2edy s SER 98 Ca 0.11 1.11 -0.29 0.00 0.70 0.00 0.00 55.95 57.58 2edy s SER 98 Cb -0.05 -2.53 0.02 0.00 -1.71 0.00 0.00 66.02 61.75 2edy s SER 98 CO 0.72 -1.60 1.14 -0.60 1.20 0.00 0.00 173.24 174.10 2edy s ARG 99 N 5.37 3.83 0.78 5.44 3.52 -1.26 -3.00 118.95 133.63 2edy s ARG 99 Ca 0.72 0.77 -0.17 0.00 -0.13 0.00 0.00 55.73 56.92 2edy s ARG 99 Cb -0.19 -3.86 -0.15 0.00 -1.56 0.00 0.00 34.95 29.19 2edy s ARG 99 CO 0.33 -1.24 -0.49 0.25 -0.81 0.00 0.00 175.30 173.35 2edy n THR 100 N 6.54 0.02 -2.06 4.11 -2.24 -1.07 -4.74 114.28 114.84 2edy n THR 100 Ca 0.12 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 61.00 2edy n THR 100 Cb 0.48 -0.01 -0.02 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 -1.58 4.31 -0.66 -0.78 0.00 -1.22 -2.97 119.30 116.40 2edy s MET 101 Ca 0.48 2.28 -0.26 0.00 0.00 0.00 0.00 55.69 58.18 2edy s MET 101 Cb -0.32 -3.06 -0.03 0.00 0.00 0.00 0.00 34.83 31.42 2edy s MET 101 CO 0.75 -0.27 1.88 -1.25 0.00 0.00 0.00 175.02 176.13 2edy s PRO 102 N -1.63 2.61 0.00 3.16 0.04 -1.26 -3.41 135.00 134.51 2edy s PRO 102 Ca 0.51 0.47 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2edy s PRO 102 Cb -0.41 -4.50 0.00 0.00 0.04 0.00 0.00 34.50 29.63 2edy s PRO 102 CO 0.53 -2.84 0.12 1.55 0.04 0.00 0.00 177.00 176.39