#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eej s SER 2 N 0.00 2.42 0.41 1.61 0.01 -1.26 -5.15 113.70 111.74 2eej s SER 2 Ca 0.00 -0.61 0.08 0.00 1.31 0.00 0.00 55.95 56.73 2eej s SER 2 Cb 0.00 -0.16 -0.00 0.00 0.21 0.00 0.00 66.02 66.07 2eej s SER 2 CO 0.00 0.09 0.51 -0.55 0.41 0.00 0.00 173.24 173.70 2eej s SER 3 N -1.59 5.54 1.03 2.44 0.15 -1.26 -5.10 113.70 114.91 2eej s SER 3 Ca 0.06 -0.47 -0.12 0.00 0.70 0.00 0.00 55.95 56.12 2eej s SER 3 Cb -0.09 -0.71 0.19 0.00 -1.71 0.00 0.00 66.02 63.70 2eej s SER 3 CO 0.03 -0.69 0.43 0.61 1.20 0.00 0.00 173.24 174.82 2eej n GLY 4 N -1.74 -2.57 1.37 9.45 0.00 -1.26 -5.02 105.19 105.42 2eej n GLY 4 Ca 0.06 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2eej n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eej n SER 5 N -2.61 0.43 -3.35 1.61 2.88 -1.26 -5.15 113.62 106.17 2eej n SER 5 Ca 0.07 0.18 -0.09 0.00 -1.33 0.00 0.00 58.87 57.70 2eej n SER 5 Cb 0.30 -0.05 -0.00 0.00 -0.75 0.00 0.00 64.21 63.71 2eej n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2eej s SER 6 N -5.43 0.02 0.00 -3.46 1.04 -1.26 -5.05 113.70 99.56 2eej s SER 6 Ca 0.00 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.43 2eej s SER 6 Cb 0.00 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.89 2eej s SER 6 CO 0.00 -1.49 0.00 0.61 0.98 0.00 0.00 173.24 173.34 2eej n GLY 7 N -0.50 2.66 3.73 7.32 0.00 -1.26 -5.12 105.19 112.02 2eej n GLY 7 Ca -0.05 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 2eej n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eej s PRO 8 N 0.00 1.47 -0.02 1.61 0.04 -1.26 -4.94 135.00 131.90 2eej s PRO 8 Ca 0.00 0.90 -0.02 0.00 0.04 0.00 0.00 61.00 61.92 2eej s PRO 8 Cb 0.00 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2eej s PRO 8 CO 0.00 -2.11 0.12 -1.59 0.04 0.00 0.00 177.00 173.46 2eej s LYS 9 N -4.93 3.23 -0.43 4.56 -2.85 -1.12 -5.03 119.74 113.18 2eej s LYS 9 Ca 0.63 -0.39 -0.15 0.00 -1.00 0.00 0.00 55.97 55.06 2eej s LYS 9 Cb -0.18 -2.97 0.03 0.00 -2.06 0.00 0.00 37.83 32.65 2eej s LYS 9 CO 0.57 0.67 0.33 -1.17 0.10 0.00 0.00 175.35 175.85 2eej s LEU 10 N -1.71 5.21 -0.10 2.77 1.98 -1.26 -3.85 118.68 121.72 2eej s LEU 10 Ca 0.23 -0.99 -0.02 0.00 -2.89 0.00 0.00 54.13 50.47 2eej s LEU 10 Cb -0.12 -2.18 -0.03 0.00 0.66 0.00 0.00 46.19 44.52 2eej s LEU 10 CO 0.14 -0.51 -0.02 0.00 -1.89 0.00 0.00 176.35 174.08 2eej s ARG 12 N -0.51 3.13 0.23 0.00 0.52 -1.26 -3.71 118.95 117.36 2eej s ARG 12 Ca 0.08 -0.79 -0.12 0.00 -0.52 0.00 0.00 55.73 54.38 2eej s ARG 12 Cb -0.12 -3.06 -0.08 0.00 0.52 0.00 0.00 34.95 32.21 2eej s ARG 12 CO 0.02 -0.31 0.60 -0.51 0.02 0.00 0.00 175.30 175.12 2eej s LEU 13 N 1.43 4.19 -0.18 2.53 1.43 -1.05 -4.86 118.68 122.17 2eej s LEU 13 Ca 0.03 1.05 -0.04 0.00 -1.03 0.00 0.00 54.13 54.15 2eej s LEU 13 Cb -0.16 -3.67 0.06 0.00 0.03 0.00 0.00 46.19 42.45 2eej s LEU 13 CO -0.03 -0.06 0.07 0.00 0.23 0.00 0.00 176.35 176.56 2eej s ALA 14 N -1.76 0.70 0.20 4.21 0.00 -1.26 -3.50 121.76 120.33 2eej s ALA 14 Ca 0.47 -0.50 -0.18 0.00 0.00 0.00 0.00 51.96 51.74 2eej s ALA 14 Cb -0.12 -1.11 -0.12 0.00 0.00 0.00 0.00 23.12 21.77 2eej s ALA 14 CO 0.20 -1.19 0.26 1.17 0.00 0.00 0.00 175.76 176.20 2eej n LYS 15 N 5.17 0.00 0.00 0.00 3.00 0.55 -4.77 118.16 122.11 2eej n LYS 15 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 2eej n LYS 15 Cb 0.48 -0.71 0.00 0.00 0.00 0.00 0.00 35.03 34.80 2eej n LYS 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2eej n GLY 16 N 1.51 0.44 0.79 3.14 0.00 -1.26 -4.96 105.19 104.84 2eej n GLY 16 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 2eej n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2eej n GLU 17 N 0.00 0.15 -2.38 1.61 4.71 -1.26 -4.84 120.64 118.63 2eej n GLU 17 Ca 0.00 0.06 -0.16 0.00 -0.01 0.00 0.00 57.16 57.05 2eej n GLU 17 Cb 0.00 -0.75 0.03 0.00 -1.01 0.00 0.00 31.44 29.71 2eej n GLU 17 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2eej n ASN 18 N -3.41 3.63 0.00 1.62 3.02 -1.26 -5.07 115.26 113.80 2eej n ASN 18 Ca -0.12 -3.16 0.00 0.00 -0.03 0.00 0.00 54.58 51.27 2eej n ASN 18 Cb 0.50 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 2eej n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eej n GLY 19 N -0.59 2.82 0.32 7.41 0.00 -1.26 -4.87 105.19 109.03 2eej n GLY 19 Ca 0.30 -1.65 -0.08 0.00 0.00 0.00 0.00 46.02 44.59 2eej n GLY 19 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2eej n TYR 20 N 0.73 -0.34 0.00 1.61 4.01 -1.26 -4.36 117.16 117.55 2eej n TYR 20 Ca 0.00 0.96 0.00 0.00 -0.16 0.00 0.00 57.90 58.70 2eej n TYR 20 Cb 0.00 -0.55 0.00 0.00 -0.31 0.00 0.00 39.34 38.48 2eej n TYR 20 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2eej n GLY 21 N -1.19 3.12 3.72 2.72 0.00 -1.26 -4.25 105.19 108.05 2eej n GLY 21 Ca 0.02 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 2eej n GLY 21 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2eej s PHE 22 N 0.00 2.20 0.38 1.61 -0.71 -1.26 -4.49 117.98 115.71 2eej s PHE 22 Ca 0.00 1.60 0.04 0.00 -1.04 0.00 0.00 56.93 57.53 2eej s PHE 22 Cb 0.00 -3.16 -0.03 0.00 -1.21 0.00 0.00 43.02 38.63 2eej s PHE 22 CO 0.00 -2.24 0.16 -1.01 -1.34 0.00 0.00 175.22 170.79 2eej s HIS 23 N -2.81 1.76 0.17 3.49 3.76 -0.16 -4.95 115.29 116.54 2eej s HIS 23 Ca 0.63 -1.37 0.11 0.00 -0.15 0.00 0.00 55.06 54.29 2eej s HIS 23 Cb -0.19 -1.04 -0.04 0.00 1.11 0.00 0.00 32.58 32.41 2eej s HIS 23 CO 0.57 -0.43 -0.22 -0.51 -0.85 0.00 0.00 174.74 173.30 2eej s LEU 24 N -3.54 2.50 -0.04 0.89 1.02 -1.26 -1.25 118.68 117.00 2eej s LEU 24 Ca 0.28 -0.77 -0.02 0.00 0.02 0.00 0.00 54.13 53.65 2eej s LEU 24 Cb 0.03 -1.28 0.03 0.00 0.02 0.00 0.00 46.19 44.98 2eej s LEU 24 CO 0.17 0.14 0.05 0.21 0.02 0.00 0.00 176.35 176.95 2eej s ASN 25 N -2.47 1.12 -0.32 2.29 2.47 -0.93 -4.87 114.94 112.24 2eej s ASN 25 Ca 0.19 0.06 -0.29 0.00 0.42 0.00 0.00 52.86 53.24 2eej s ASN 25 Cb -0.09 -0.17 -0.00 0.00 -1.45 0.00 0.00 41.25 39.54 2eej s ASN 25 CO 0.09 -0.24 1.45 0.00 -3.72 0.00 0.00 177.10 174.69 2eej s ALA 26 N 2.08 3.21 -0.67 1.71 0.00 -1.26 -3.64 121.76 123.20 2eej s ALA 26 Ca 0.04 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.01 2eej s ALA 26 Cb -0.12 -3.86 0.17 0.00 0.00 0.00 0.00 23.12 19.31 2eej s ALA 26 CO -0.03 -2.06 0.58 0.42 0.00 0.00 0.00 175.76 174.67 2eej s ILE 27 N 5.08 4.96 -0.33 0.00 -1.09 -1.26 -5.03 121.20 123.53 2eej s ILE 27 Ca 0.63 -2.23 -0.41 0.00 -2.23 0.00 0.00 60.65 56.42 2eej s ILE 27 Cb -0.18 -4.15 -0.16 0.00 -1.58 0.00 0.00 42.46 36.39 2eej s ILE 27 CO 0.28 -0.93 1.82 -1.14 -1.23 0.00 0.00 174.94 173.74 2eej n ARG 28 N 4.33 0.94 0.00 2.79 0.63 -1.26 -2.65 116.66 121.43 2eej n ARG 28 Ca 0.03 0.33 0.00 0.00 -0.92 0.00 0.00 57.85 57.29 2eej n ARG 28 Cb 0.43 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 31.30 2eej n ARG 28 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2eej n GLY 29 N 4.73 3.44 3.69 5.14 0.00 -1.26 -5.10 105.19 115.83 2eej n GLY 29 Ca 0.31 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 2eej n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eej s LEU 30 N 0.00 3.49 1.16 0.99 1.43 -1.09 -5.12 118.68 119.55 2eej s LEU 30 Ca 0.00 -0.11 -0.18 0.00 -1.03 0.00 0.00 54.13 52.81 2eej s LEU 30 Cb 0.00 -2.15 0.27 0.00 0.03 0.00 0.00 46.19 44.34 2eej s LEU 30 CO 0.00 0.21 1.11 -2.16 0.23 0.00 0.00 176.35 175.74 2eej s PRO 31 N -2.04 -0.92 2.62 1.29 0.04 -1.26 -4.73 135.00 130.00 2eej s PRO 31 Ca 0.24 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.31 2eej s PRO 31 Cb -0.12 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.80 2eej s PRO 31 CO 0.16 -3.53 0.00 0.41 0.04 0.00 0.00 177.00 174.07 2eej n GLY 32 N -0.99 0.17 3.27 0.56 0.00 0.63 -4.93 105.19 103.89 2eej n GLY 32 Ca 0.12 -0.95 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 2eej n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eej s SER 33 N -4.00 1.21 0.06 1.61 0.15 -1.25 -4.64 113.70 106.82 2eej s SER 33 Ca 0.00 -1.25 0.08 0.00 0.70 0.00 0.00 55.95 55.48 2eej s SER 33 Cb 0.00 0.13 -0.03 0.00 -1.71 0.00 0.00 66.02 64.42 2eej s SER 33 CO 0.00 -0.62 -0.22 -0.36 1.20 0.00 0.00 173.24 173.24 2eej s PHE 34 N -3.69 1.89 0.05 3.44 0.40 -1.24 -1.20 117.98 117.64 2eej s PHE 34 Ca 0.29 -0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 55.93 2eej s PHE 34 Cb 0.07 -1.11 -0.05 0.00 0.51 0.00 0.00 43.02 42.44 2eej s PHE 34 CO 0.07 0.12 1.08 0.42 0.70 0.00 0.00 175.22 177.62 2eej s ILE 35 N -0.86 4.39 0.04 0.64 1.01 -0.41 -2.20 121.20 123.81 2eej s ILE 35 Ca 0.08 1.76 -0.11 0.00 0.00 0.00 0.00 60.65 62.38 2eej s ILE 35 Cb -0.09 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.26 2eej s ILE 35 CO 0.02 0.16 0.24 -0.75 0.00 0.00 0.00 174.94 174.62 2eej s LYS 36 N 0.82 0.75 -1.24 2.79 2.20 -0.38 -3.95 119.74 120.74 2eej s LYS 36 Ca 0.54 -0.60 -0.04 0.00 -0.36 0.00 0.00 55.97 55.51 2eej s LYS 36 Cb -0.26 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 2eej s LYS 36 CO 0.29 -0.23 1.05 0.39 -0.36 0.00 0.00 175.35 176.50 2eej n GLU 37 N 0.59 -7.04 -3.28 4.03 1.02 -1.26 -0.99 120.64 113.71 2eej n GLU 37 Ca -0.18 0.82 -0.42 0.00 -0.02 0.00 0.00 57.16 57.35 2eej n GLU 37 Cb 0.59 -5.79 -0.08 0.00 -0.02 0.00 0.00 31.44 26.14 2eej n GLU 37 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2eej s VAL 38 N -3.33 5.04 0.19 2.62 0.11 -1.26 -4.08 120.40 119.68 2eej s VAL 38 Ca 0.25 -0.03 -0.32 0.00 -2.93 0.00 0.00 61.98 58.94 2eej s VAL 38 Cb -0.11 -4.01 -0.11 0.00 -1.53 0.00 0.00 36.38 30.62 2eej s VAL 38 CO 0.71 -0.34 1.62 -1.58 -3.33 0.00 0.00 175.10 172.18 2eej s GLN 39 N 2.29 4.18 -0.16 1.54 2.00 -1.26 -4.94 119.66 123.31 2eej s GLN 39 Ca 0.15 2.45 -0.29 0.00 -2.00 0.00 0.00 55.36 55.67 2eej s GLN 39 Cb -0.16 -3.12 -0.01 0.00 0.80 0.00 0.00 33.01 30.51 2eej s GLN 39 CO 0.14 -0.65 1.26 0.21 -0.50 0.00 0.00 175.29 175.75 2eej s LYS 40 N 1.05 4.23 0.00 1.67 2.47 -1.26 -3.69 119.74 124.22 2eej s LYS 40 Ca 0.71 1.67 0.00 0.00 -1.56 0.00 0.00 55.97 56.79 2eej s LYS 40 Cb -0.46 -3.76 0.00 0.00 -1.46 0.00 0.00 37.83 32.15 2eej s LYS 40 CO 0.32 -0.70 0.00 0.41 0.16 0.00 0.00 175.35 175.54 2eej n GLY 41 N 3.61 1.29 0.00 5.54 0.00 -1.26 -5.08 105.19 109.29 2eej n GLY 41 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2eej n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eej n GLY 42 N -0.22 6.04 0.20 -0.02 0.00 -1.24 -4.91 105.19 105.04 2eej n GLY 42 Ca 0.00 -1.61 -0.05 0.00 0.00 0.00 0.00 46.02 44.37 2eej n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eej h PRO 43 N 0.00 0.36 0.07 1.61 0.13 -1.86 -0.26 132.00 132.04 2eej h PRO 43 Ca 0.00 -0.19 -0.11 0.00 -0.87 0.00 0.00 66.00 64.83 2eej h PRO 43 Cb 0.00 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.15 2eej h PRO 43 CO 0.00 0.75 -0.48 0.00 -0.23 0.00 0.00 178.00 178.04 2eej h ALA 44 N 1.23 -0.03 0.47 -0.56 0.00 -1.89 -3.23 119.26 115.24 2eej h ALA 44 Ca 0.02 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 2eej h ALA 44 Cb 0.91 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2eej h ALA 44 CO 0.08 0.22 -0.22 0.22 0.00 0.00 0.00 179.25 179.54 2eej h ASP 45 N -0.54 -0.53 -0.95 0.00 1.82 -1.75 -0.66 116.42 113.80 2eej h ASP 45 Ca -0.08 -0.09 0.27 0.00 -0.39 0.00 0.00 57.03 56.74 2eej h ASP 45 Cb 1.33 0.14 -0.17 0.00 0.68 0.00 0.00 39.33 41.31 2eej h ASP 45 CO 0.09 -0.16 0.09 -0.07 -1.61 0.00 0.00 179.24 177.59 2eej h LEU 46 N -0.96 -0.34 -0.75 2.28 3.38 -1.21 0.86 115.31 118.56 2eej h LEU 46 Ca -0.06 0.26 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2eej h LEU 46 Cb 0.58 0.43 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 2eej h LEU 46 CO 0.11 -0.32 0.26 0.00 0.09 0.00 0.00 178.44 178.58 2eej h ALA 47 N 1.93 0.98 0.00 1.53 0.00 -1.57 -3.47 119.26 118.67 2eej h ALA 47 Ca 0.59 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2eej h ALA 47 Cb 1.25 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2eej h ALA 47 CO -0.85 0.65 0.00 0.41 0.00 0.00 0.00 179.25 179.46 2eej n GLY 48 N -0.80 0.94 3.71 0.00 0.00 0.30 -4.94 105.19 104.40 2eej n GLY 48 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2eej n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eej s LEU 49 N 0.00 3.98 0.00 0.99 1.43 -0.28 -5.01 118.68 119.78 2eej s LEU 49 Ca 0.00 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 2eej s LEU 49 Cb 0.00 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.24 2eej s LEU 49 CO 0.00 0.25 0.11 -0.62 0.23 0.00 0.00 176.35 176.32 2eej n GLU 50 N 3.04 1.07 -0.16 1.70 1.02 -1.26 -4.35 120.64 121.70 2eej n GLU 50 Ca -0.17 -2.45 0.02 0.00 -0.02 0.00 0.00 57.16 54.54 2eej n GLU 50 Cb 0.53 0.50 0.09 0.00 -0.02 0.00 0.00 31.44 32.54 2eej n GLU 50 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2eej n ASP 51 N -1.49 1.59 -0.00 1.62 8.00 -1.26 -3.41 116.55 121.60 2eej n ASP 51 Ca -0.09 -2.11 0.00 0.00 0.71 0.00 0.00 54.79 53.30 2eej n ASP 51 Cb 0.43 -0.33 -0.00 0.00 -0.02 0.00 0.00 41.12 41.20 2eej n ASP 51 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2eej n GLU 52 N 0.10 1.91 -1.66 -1.24 4.71 -1.25 -4.66 120.64 118.55 2eej n GLU 52 Ca 0.07 -0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 56.84 2eej n GLU 52 Cb 0.32 -1.01 0.06 0.00 -1.01 0.00 0.00 31.44 29.79 2eej n GLU 52 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2eej n ASP 53 N -1.76 1.36 -4.33 1.62 8.00 -1.22 -4.72 116.55 115.50 2eej n ASP 53 Ca -0.01 0.83 -0.27 0.00 0.71 0.00 0.00 54.79 56.05 2eej n ASP 53 Cb 0.26 -1.46 -0.13 0.00 -0.02 0.00 0.00 41.12 39.77 2eej n ASP 53 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2eej s VAL 54 N -1.45 1.97 -0.43 2.53 -7.23 -1.26 -1.29 120.40 113.23 2eej s VAL 54 Ca 0.78 -1.55 -0.21 0.00 -1.81 0.00 0.00 61.98 59.19 2eej s VAL 54 Cb -0.40 -1.74 0.02 0.00 0.56 0.00 0.00 36.38 34.82 2eej s VAL 54 CO 0.45 0.09 0.68 -0.63 -0.31 0.00 0.00 175.10 175.37 2eej s ILE 55 N -1.02 4.79 -0.15 -0.62 1.01 -0.34 -3.84 121.20 121.03 2eej s ILE 55 Ca 0.10 0.23 -0.12 0.00 0.00 0.00 0.00 60.65 60.85 2eej s ILE 55 Cb -0.10 -4.22 -0.08 0.00 0.01 0.00 0.00 42.46 38.07 2eej s ILE 55 CO 0.04 -0.60 0.00 0.40 0.00 0.00 0.00 174.94 174.78 2eej h ILE 56 N 5.88 0.34 -2.80 2.92 2.04 -1.63 -3.34 117.51 120.93 2eej h ILE 56 Ca -0.25 -1.39 -0.49 0.00 1.00 0.00 0.00 64.86 63.73 2eej h ILE 56 Cb 1.09 0.77 -0.14 0.00 -0.74 0.00 0.00 36.82 37.81 2eej h ILE 56 CO 0.90 0.12 -0.58 -1.83 0.00 0.00 0.00 178.15 176.76 2eej s GLU 57 N -2.18 1.72 -0.02 2.37 4.04 -1.26 -1.64 118.70 121.73 2eej s GLU 57 Ca -0.17 -1.98 -0.19 0.00 0.04 0.00 0.00 54.97 52.67 2eej s GLU 57 Cb 0.02 -0.77 0.03 0.00 0.02 0.00 0.00 34.13 33.44 2eej s GLU 57 CO 0.31 -0.27 0.40 0.54 -1.84 0.00 0.00 175.26 174.40 2eej s VAL 58 N -3.30 0.04 0.00 1.83 0.11 -0.12 -3.32 120.40 115.65 2eej s VAL 58 Ca 0.33 -0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 2eej s VAL 58 Cb 0.07 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 2eej s VAL 58 CO 0.15 -0.20 0.00 0.59 -3.33 0.00 0.00 175.10 172.31 2eej n ASN 59 N 1.16 -0.50 -1.19 3.54 5.03 -1.17 0.12 115.26 122.26 2eej n ASN 59 Ca -0.21 0.25 0.00 0.00 0.87 0.00 0.00 54.58 55.49 2eej n ASN 59 Cb 0.56 -0.73 0.00 0.00 -1.02 0.00 0.00 39.78 38.59 2eej n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2eej n GLY 60 N -0.25 0.68 3.62 7.41 0.00 -1.26 -5.07 105.19 110.31 2eej n GLY 60 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 2eej n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eej s VAL 61 N -2.93 -0.00 -0.57 1.61 0.11 0.12 -5.11 120.40 113.63 2eej s VAL 61 Ca 0.00 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 2eej s VAL 61 Cb 0.00 -0.98 -0.00 0.00 -1.53 0.00 0.00 36.38 33.87 2eej s VAL 61 CO 0.00 0.00 1.64 0.21 -3.33 0.00 0.00 175.10 173.62 2eej s ASN 62 N 0.83 5.72 -0.42 3.54 3.84 -1.26 -0.95 114.94 126.25 2eej s ASN 62 Ca -0.04 0.35 0.04 0.00 0.21 0.00 0.00 52.86 53.43 2eej s ASN 62 Cb -0.05 -2.54 0.44 0.00 -0.55 0.00 0.00 41.25 38.56 2eej s ASN 62 CO -0.07 -2.02 1.39 1.33 -2.79 0.00 0.00 177.10 174.94 2eej n VAL 63 N 7.03 2.78 0.05 -5.21 0.24 -0.65 -4.77 118.33 117.80 2eej n VAL 63 Ca 0.16 -4.10 -0.08 0.00 -2.04 0.00 0.00 64.34 58.28 2eej n VAL 63 Cb 0.50 -1.17 -0.06 0.00 -1.47 0.00 0.00 33.84 31.64 2eej n VAL 63 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2eej h LEU 64 N 2.26 -0.20 -0.92 1.34 3.38 -1.75 -3.33 115.31 116.09 2eej h LEU 64 Ca 0.42 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 2eej h LEU 64 Cb 1.20 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 2eej h LEU 64 CO 0.98 0.36 0.14 0.44 0.09 0.00 0.00 178.44 180.45 2eej h ASP 65 N -0.97 0.87 -1.77 -0.43 3.32 -1.90 1.86 116.42 117.40 2eej h ASP 65 Ca -0.02 -0.17 -0.63 0.00 0.02 0.00 0.00 57.03 56.22 2eej h ASP 65 Cb 0.44 -0.23 0.12 0.00 0.22 0.00 0.00 39.33 39.88 2eej h ASP 65 CO 0.04 0.85 -0.35 -0.62 -1.72 0.00 0.00 179.24 177.44 2eej n GLU 66 N -4.26 0.51 -1.13 3.56 1.02 -1.25 -4.51 120.64 114.59 2eej n GLU 66 Ca 0.04 0.18 -0.29 0.00 -0.02 0.00 0.00 57.16 57.07 2eej n GLU 66 Cb 0.24 -1.35 0.20 0.00 -0.02 0.00 0.00 31.44 30.51 2eej n GLU 66 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2eej s PRO 67 N -1.28 -0.29 0.43 3.49 0.04 -1.26 -3.81 135.00 132.31 2eej s PRO 67 Ca 0.62 0.27 0.18 0.00 0.04 0.00 0.00 61.00 62.10 2eej s PRO 67 Cb -0.77 -1.67 0.96 0.00 0.04 0.00 0.00 34.50 33.05 2eej s PRO 67 CO 0.58 -3.16 1.91 -0.92 0.04 0.00 0.00 177.00 175.45 2eej h TYR 68 N -2.20 0.00 0.00 0.56 5.03 -1.92 -0.11 116.97 118.33 2eej h TYR 68 Ca -0.51 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 60.70 2eej h TYR 68 Cb 1.32 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.59 2eej h TYR 68 CO -0.65 0.27 -0.46 0.93 -1.32 0.00 0.00 178.16 176.93 2eej h GLU 69 N 0.00 0.00 0.00 1.82 5.08 -1.98 -2.71 114.58 116.79 2eej h GLU 69 Ca -0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 2eej h GLU 69 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2eej h GLU 69 CO 0.04 0.46 -0.79 0.87 -1.00 0.00 0.00 179.01 178.59 2eej h LYS 70 N 0.00 0.00 -0.94 2.33 1.79 -1.76 -3.28 116.57 114.71 2eej h LYS 70 Ca -0.00 0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.62 2eej h LYS 70 Cb 1.09 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.66 2eej h LYS 70 CO 0.06 0.70 0.60 -0.39 -1.08 0.00 0.00 179.45 179.34 2eej h VAL 71 N -1.00 0.82 0.25 0.50 -1.51 -1.15 -1.99 116.25 112.17 2eej h VAL 71 Ca -0.19 -0.26 -0.01 0.00 -1.23 0.00 0.00 66.70 65.01 2eej h VAL 71 Cb 0.98 -0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 2eej h VAL 71 CO -0.11 0.14 -0.12 1.62 -1.23 0.00 0.00 177.57 177.86 2eej h VAL 72 N 0.75 0.79 -0.85 7.19 3.04 -1.64 -2.52 116.25 123.01 2eej h VAL 72 Ca 0.49 -0.21 0.23 0.00 -1.01 0.00 0.00 66.70 66.20 2eej h VAL 72 Cb 0.74 0.91 -0.04 0.00 -2.01 0.00 0.00 31.29 30.89 2eej h VAL 72 CO -0.25 0.05 0.59 0.44 -1.01 0.00 0.00 177.57 177.39 2eej h ASP 73 N -0.44 0.10 -0.55 3.17 5.19 -1.43 0.76 116.42 123.23 2eej h ASP 73 Ca -0.03 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 2eej h ASP 73 Cb 0.33 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 2eej h ASP 73 CO 0.06 0.04 0.25 0.03 -3.12 0.00 0.00 179.24 176.49 2eej h ARG 74 N 0.10 0.80 -0.02 3.56 2.47 -1.08 0.11 114.38 120.32 2eej h ARG 74 Ca 0.41 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 59.00 2eej h ARG 74 Cb 1.48 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 29.66 2eej h ARG 74 CO -0.05 0.67 -0.02 0.82 0.56 0.00 0.00 179.97 181.95 2eej h ILE 75 N 0.74 1.40 -0.88 2.04 2.04 -0.80 -2.17 117.51 119.87 2eej h ILE 75 Ca 0.19 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 64.86 2eej h ILE 75 Cb 0.15 2.18 -0.05 0.00 -0.74 0.00 0.00 36.82 38.36 2eej h ILE 75 CO -0.02 0.32 0.57 1.56 0.00 0.00 0.00 178.15 180.58 2eej h GLN 76 N -0.45 1.09 -0.62 2.37 1.08 -1.31 -2.21 115.11 115.07 2eej h GLN 76 Ca 0.00 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.07 2eej h GLN 76 Cb 0.53 -0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 2eej h GLN 76 CO 0.00 0.72 0.11 1.03 -0.95 0.00 0.00 178.83 179.75 2eej h SER 77 N 1.13 0.96 -0.60 1.46 0.87 -0.79 -3.22 113.55 113.34 2eej h SER 77 Ca 0.34 -0.21 0.05 0.00 -1.23 0.00 0.00 61.79 60.74 2eej h SER 77 Cb -0.04 -0.25 -0.07 0.00 -0.44 0.00 0.00 62.40 61.60 2eej h SER 77 CO -0.10 0.95 -0.36 -0.24 -0.53 0.00 0.00 176.83 176.55 2eej n SER 78 N -4.23 -0.64 0.00 6.23 2.88 -0.82 -4.92 113.62 112.13 2eej n SER 78 Ca 0.04 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 2eej n SER 78 Cb 0.28 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 2eej n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eej n GLY 79 N -1.15 0.50 0.08 0.46 0.00 -1.22 -4.70 105.19 99.16 2eej n GLY 79 Ca 0.01 -1.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.02 2eej n GLY 79 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2eej n LYS 80 N 0.00 0.64 -4.48 1.61 0.00 -1.26 -4.87 118.16 109.80 2eej n LYS 80 Ca 0.00 0.13 -0.22 0.00 -0.00 0.00 0.00 58.31 58.22 2eej n LYS 80 Cb 0.00 -1.72 -0.16 0.00 -0.00 0.00 0.00 35.03 33.16 2eej n LYS 80 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2eej s ASN 81 N -5.58 1.43 -0.02 -5.58 2.47 -1.26 -0.33 114.94 106.07 2eej s ASN 81 Ca -0.05 -0.23 -0.05 0.00 0.42 0.00 0.00 52.86 52.95 2eej s ASN 81 Cb 0.09 -0.46 0.01 0.00 -1.45 0.00 0.00 41.25 39.44 2eej s ASN 81 CO 0.83 0.07 0.12 0.54 -3.72 0.00 0.00 177.10 174.94 2eej s VAL 82 N 0.30 0.04 -0.08 -5.21 0.11 -1.23 -4.85 120.40 109.48 2eej s VAL 82 Ca -0.06 -0.34 0.01 0.00 -2.93 0.00 0.00 61.98 58.67 2eej s VAL 82 Cb -0.11 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 2eej s VAL 82 CO 0.01 -0.19 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.60 2eej s THR 83 N -0.61 3.33 0.04 5.04 2.01 -1.26 -2.51 115.64 121.68 2eej s THR 83 Ca -0.07 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.36 2eej s THR 83 Cb -0.04 -2.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 2eej s THR 83 CO 0.01 0.57 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.64 2eej s LEU 84 N -0.46 2.21 -0.44 4.42 1.43 -1.24 -3.04 118.68 121.56 2eej s LEU 84 Ca 0.06 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 52.58 2eej s LEU 84 Cb -0.12 -0.38 0.09 0.00 0.03 0.00 0.00 46.19 45.81 2eej s LEU 84 CO 0.02 -0.08 0.29 -0.22 0.23 0.00 0.00 176.35 176.60 2eej s LEU 85 N -1.31 5.33 -0.07 1.79 0.20 -1.21 -3.96 118.68 119.45 2eej s LEU 85 Ca -0.04 -1.58 -0.02 0.00 0.69 0.00 0.00 54.13 53.18 2eej s LEU 85 Cb -0.08 -2.01 -0.04 0.00 -0.43 0.00 0.00 46.19 43.63 2eej s LEU 85 CO 0.01 -0.59 0.05 0.68 -0.29 0.00 0.00 176.35 176.21 2eej s VAL 86 N 1.43 4.66 0.07 1.68 -7.23 -1.25 -1.62 120.40 118.15 2eej s VAL 86 Ca 0.04 -0.20 0.08 0.00 -1.81 0.00 0.00 61.98 60.09 2eej s VAL 86 Cb -0.24 -3.02 -0.03 0.00 0.56 0.00 0.00 36.38 33.65 2eej s VAL 86 CO 0.02 0.54 -0.22 0.00 -0.31 0.00 0.00 175.10 175.13 2eej n GLY 88 N 1.47 1.49 3.70 0.00 0.00 -1.26 -4.43 105.19 106.17 2eej n GLY 88 Ca -0.18 0.85 -0.42 0.00 0.00 0.00 0.00 46.02 46.27 2eej n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2eej s LYS 89 N 4.43 4.16 -0.49 1.61 2.20 -1.26 -4.80 119.74 125.58 2eej s LYS 89 Ca 0.93 2.52 -0.44 0.00 -0.36 0.00 0.00 55.97 58.63 2eej s LYS 89 Cb -0.62 -3.35 -0.19 0.00 -1.51 0.00 0.00 37.83 32.16 2eej s LYS 89 CO 0.48 -0.76 2.07 1.63 -0.36 0.00 0.00 175.35 178.42 2eej n LYS 90 N 4.83 0.09 -1.54 4.03 4.76 -1.26 -4.68 118.16 124.39 2eej n LYS 90 Ca 0.16 0.03 -0.27 0.00 -2.87 0.00 0.00 58.31 55.36 2eej n LYS 90 Cb 0.38 -1.58 -0.08 0.00 -1.84 0.00 0.00 35.03 31.91 2eej n LYS 90 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2eej n SER 91 N 7.22 1.49 -4.49 4.39 7.64 -1.26 -4.90 113.62 123.70 2eej n SER 91 Ca 0.51 -0.78 -0.32 0.00 1.01 0.00 0.00 58.87 59.28 2eej n SER 91 Cb -0.02 -1.42 -0.13 0.00 -1.01 0.00 0.00 64.21 61.63 2eej n SER 91 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2eej s GLY 92 N 10.12 1.57 0.00 0.23 0.00 -1.26 -4.99 107.32 112.99 2eej s GLY 92 Ca 1.04 -1.03 0.14 0.00 0.00 0.00 0.00 44.72 44.87 2eej s GLY 92 CO 0.26 -0.86 1.28 -1.55 0.00 0.00 0.00 173.10 172.23 2eej n PRO 93 N 2.02 0.49 -2.71 2.90 -0.04 -1.26 -4.72 135.00 131.67 2eej n PRO 93 Ca -0.17 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.87 2eej n PRO 93 Cb 0.52 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 2eej n PRO 93 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2eej s SER 94 N -1.96 7.15 -0.08 3.54 0.01 -1.26 -5.04 113.70 116.06 2eej s SER 94 Ca 0.22 1.42 -0.01 0.00 1.31 0.00 0.00 55.95 58.89 2eej s SER 94 Cb 0.10 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.76 2eej s SER 94 CO 0.17 -0.50 -0.03 -0.94 0.41 0.00 0.00 173.24 172.34 2eej s SER 95 N 1.14 4.98 0.00 2.44 1.04 -1.26 -5.19 113.70 116.84 2eej s SER 95 Ca 0.45 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.95 2eej s SER 95 Cb -0.17 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.58 2eej s SER 95 CO 0.13 0.36 0.00 0.61 0.98 0.00 0.00 173.24 175.33