#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 3.79 0.13 1.61 0.01 -1.26 -5.14 113.70 112.84 2eej s SER 2 Ca 0.00 -0.53 0.10 0.00 1.31 0.00 0.00 55.95 56.83 2eej s SER 2 Cb 0.00 -0.53 -0.04 0.00 0.21 0.00 0.00 66.02 65.66 2eej s SER 2 CO 0.00 0.21 -0.24 -0.55 0.41 0.00 0.00 173.24 173.06 2eej s SER 3 N -1.86 3.09 0.00 2.44 0.15 -1.26 -4.91 113.70 111.34 2eej s SER 3 Ca 0.16 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 56.06 2eej s SER 3 Cb -0.10 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 2eej s SER 3 CO 0.08 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.25 2eej n GLY 4 N 0.83 1.35 3.76 9.45 0.00 -1.26 -5.14 105.19 114.18 2eej n GLY 4 Ca -0.17 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 2eej n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eej s SER 5 N 0.00 7.43 -0.28 1.61 0.15 -1.26 -5.05 113.70 116.31 2eej s SER 5 Ca 0.00 2.12 -0.20 0.00 0.70 0.00 0.00 55.95 58.57 2eej s SER 5 Cb 0.00 -2.62 0.08 0.00 -1.71 0.00 0.00 66.02 61.77 2eej s SER 5 CO 0.00 -0.01 0.71 -0.94 1.20 0.00 0.00 173.24 174.20 2eej s SER 6 N -1.03 -0.84 0.00 5.45 1.04 -1.26 -5.09 113.70 111.96 2eej s SER 6 Ca 0.43 1.46 0.00 0.00 0.48 0.00 0.00 55.95 58.33 2eej s SER 6 Cb -0.29 1.41 0.00 0.00 0.10 0.00 0.00 66.02 67.24 2eej s SER 6 CO 0.37 -0.24 0.97 0.61 0.98 0.00 0.00 173.24 175.92 2eej n GLY 7 N 3.55 -2.60 3.77 7.32 0.00 -1.26 -4.70 105.19 111.26 2eej n GLY 7 Ca -0.17 0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.86 4.12 -0.71 1.61 0.04 -1.26 -4.97 135.00 130.98 2eej s PRO 8 Ca 0.00 1.92 -0.24 0.00 0.04 0.00 0.00 61.00 62.72 2eej s PRO 8 Cb 0.00 -2.77 0.06 0.00 0.04 0.00 0.00 34.50 31.82 2eej s PRO 8 CO 0.00 -0.28 1.11 -1.59 0.04 0.00 0.00 177.00 176.27 2eej s LYS 9 N -2.16 3.16 -0.50 4.56 -2.85 -1.25 -4.98 119.74 115.72 2eej s LYS 9 Ca 0.55 -0.62 -0.28 0.00 -1.00 0.00 0.00 55.97 54.61 2eej s LYS 9 Cb -0.33 -4.25 0.01 0.00 -2.06 0.00 0.00 37.83 31.21 2eej s LYS 9 CO 0.42 -1.96 1.37 -1.17 0.10 0.00 0.00 175.35 174.11 2eej s LEU 10 N 4.73 3.50 0.06 2.77 1.98 -1.26 -4.35 118.68 126.10 2eej s LEU 10 Ca 0.28 0.50 0.09 0.00 -2.89 0.00 0.00 54.13 52.11 2eej s LEU 10 Cb -0.13 -3.30 -0.03 0.00 0.66 0.00 0.00 46.19 43.39 2eej s LEU 10 CO 0.11 -1.54 -0.25 0.00 -1.89 0.00 0.00 176.35 172.78 2eej s ARG 12 N -1.33 3.31 0.41 0.00 0.52 -1.26 -3.03 118.95 117.57 2eej s ARG 12 Ca 0.11 -0.21 -0.00 0.00 -0.52 0.00 0.00 55.73 55.11 2eej s ARG 12 Cb -0.10 -3.08 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 2eej s ARG 12 CO 0.02 0.76 0.63 -0.51 0.02 0.00 0.00 175.30 176.22 2eej s LEU 13 N -1.00 3.79 -0.23 2.53 1.43 -0.48 -4.91 118.68 119.81 2eej s LEU 13 Ca 0.15 0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 53.61 2eej s LEU 13 Cb -0.12 -3.28 0.08 0.00 0.03 0.00 0.00 46.19 42.89 2eej s LEU 13 CO 0.04 -0.53 0.09 0.00 0.23 0.00 0.00 176.35 176.18 2eej s ALA 14 N -2.48 0.72 -0.15 4.21 0.00 -1.26 -3.29 121.76 119.52 2eej s ALA 14 Ca 0.45 -0.77 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 2eej s ALA 14 Cb -0.10 -1.23 -0.06 0.00 0.00 0.00 0.00 23.12 21.73 2eej s ALA 14 CO 0.38 -1.37 2.09 0.21 0.00 0.00 0.00 175.76 177.06 2eej s LYS 15 N 2.01 3.48 0.00 0.00 2.20 -0.62 -4.59 119.74 122.21 2eej s LYS 15 Ca 0.04 2.15 0.00 0.00 -0.36 0.00 0.00 55.97 57.80 2eej s LYS 15 Cb -0.16 -4.28 0.00 0.00 -1.51 0.00 0.00 37.83 31.87 2eej s LYS 15 CO -0.19 -1.71 0.00 0.41 -0.36 0.00 0.00 175.35 173.50 2eej n GLY 16 N 5.32 0.65 0.63 5.54 0.00 -1.26 -4.93 105.19 111.14 2eej n GLY 16 Ca 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.24 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 0.23 -1.28 1.61 1.02 -1.26 -4.72 120.64 116.23 2eej n GLU 17 Ca 0.00 0.09 -0.27 0.00 -0.02 0.00 0.00 57.16 56.96 2eej n GLU 17 Cb 0.00 -0.89 0.02 0.00 -0.02 0.00 0.00 31.44 30.56 2eej n GLU 17 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2eej n ASN 18 N -3.88 6.91 -0.01 1.62 4.13 -1.26 -4.99 115.26 117.78 2eej n ASN 18 Ca -0.06 -3.38 0.00 0.00 1.68 0.00 0.00 54.58 52.83 2eej n ASN 18 Cb 0.22 -1.09 -0.00 0.00 -1.54 0.00 0.00 39.78 37.38 2eej n ASN 18 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2eej n GLY 19 N 0.06 -2.01 3.11 7.41 0.00 -1.26 -4.94 105.19 107.56 2eej n GLY 19 Ca 0.46 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.46 -1.37 -0.78 1.61 4.01 -1.26 -4.11 117.16 112.79 2eej n TYR 20 Ca -0.00 0.42 -0.20 0.00 -0.16 0.00 0.00 57.90 57.96 2eej n TYR 20 Cb 0.00 -1.46 0.10 0.00 -0.31 0.00 0.00 39.34 37.68 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 2.82 4.20 3.83 2.72 0.00 -1.26 -4.91 105.19 112.60 2eej n GLY 21 Ca -0.01 -1.10 -0.07 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.52 -0.19 0.01 1.61 -0.71 -1.26 0.07 117.98 114.98 2eej s PHE 22 Ca 0.43 -0.24 0.01 0.00 -1.04 0.00 0.00 56.93 56.09 2eej s PHE 22 Cb 0.35 0.70 -0.01 0.00 -1.21 0.00 0.00 43.02 42.85 2eej s PHE 22 CO 0.05 -1.17 -0.03 -1.01 -1.34 0.00 0.00 175.22 171.72 2eej s HIS 23 N -3.82 0.26 0.33 3.49 3.76 0.11 -4.92 115.29 114.51 2eej s HIS 23 Ca 0.11 -0.18 -0.16 0.00 -0.15 0.00 0.00 55.06 54.69 2eej s HIS 23 Cb -0.05 -0.17 -0.09 0.00 1.11 0.00 0.00 32.58 33.38 2eej s HIS 23 CO 0.06 -0.05 0.75 -0.51 -0.85 0.00 0.00 174.74 174.15 2eej s LEU 24 N -0.48 4.06 -0.08 0.89 1.02 -1.26 -0.51 118.68 122.32 2eej s LEU 24 Ca -0.03 1.32 -0.03 0.00 0.02 0.00 0.00 54.13 55.40 2eej s LEU 24 Cb -0.04 -4.11 0.04 0.00 0.02 0.00 0.00 46.19 42.11 2eej s LEU 24 CO -0.00 -0.21 0.16 0.21 0.02 0.00 0.00 176.35 176.53 2eej s ASN 25 N -2.25 0.28 -0.25 2.29 3.04 -1.02 -4.91 114.94 112.12 2eej s ASN 25 Ca 0.55 0.34 -0.29 0.00 0.04 0.00 0.00 52.86 53.50 2eej s ASN 25 Cb -0.10 0.27 -0.01 0.00 -1.54 0.00 0.00 41.25 39.86 2eej s ASN 25 CO 0.17 -0.20 1.44 0.00 -3.04 0.00 0.00 177.10 175.47 2eej s ALA 26 N 1.74 3.35 0.07 1.71 0.00 -1.26 -3.47 121.76 123.90 2eej s ALA 26 Ca -0.03 0.29 0.05 0.00 0.00 0.00 0.00 51.96 52.27 2eej s ALA 26 Cb -0.12 -3.80 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 2eej s ALA 26 CO -0.06 -1.80 -0.04 0.42 0.00 0.00 0.00 175.76 174.28 2eej s ILE 27 N 4.66 3.79 -0.43 0.00 -1.09 -1.26 -5.02 121.20 121.85 2eej s ILE 27 Ca 0.63 -0.99 -0.02 0.00 -2.23 0.00 0.00 60.65 58.04 2eej s ILE 27 Cb -0.21 -2.76 0.22 0.00 -1.58 0.00 0.00 42.46 38.14 2eej s ILE 27 CO 0.25 0.19 2.19 -1.14 -1.23 0.00 0.00 174.94 175.21 2eej n ARG 28 N 0.86 2.12 0.00 2.79 0.63 -1.26 -4.15 116.66 117.65 2eej n ARG 28 Ca -0.13 -2.10 0.00 0.00 -0.92 0.00 0.00 57.85 54.70 2eej n ARG 28 Cb 0.52 -1.87 0.00 0.00 0.45 0.00 0.00 32.46 31.56 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 0.22 0.00 3.11 5.14 0.00 -1.26 -5.10 105.19 107.31 2eej n GLY 29 Ca 0.41 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.33 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 -5.31 1.80 0.25 0.99 1.43 -1.26 -5.04 118.68 111.54 2eej s LEU 30 Ca 0.00 -0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 52.27 2eej s LEU 30 Cb 0.00 0.60 -0.09 0.00 0.03 0.00 0.00 46.19 46.73 2eej s LEU 30 CO 0.00 -0.51 1.27 -2.16 0.23 0.00 0.00 176.35 175.18 2eej s PRO 31 N -2.59 4.43 0.00 1.29 0.04 -1.26 -4.77 135.00 132.13 2eej s PRO 31 Ca -0.05 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2eej s PRO 31 Cb -0.01 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.37 2eej s PRO 31 CO -0.04 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.26 2eej n GLY 32 N 1.65 0.23 3.29 0.56 0.00 0.38 -4.77 105.19 106.53 2eej n GLY 32 Ca 0.03 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 43.96 2eej n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eej s SER 33 N -4.00 2.08 0.11 1.61 1.04 -1.26 -4.74 113.70 108.54 2eej s SER 33 Ca 0.00 -1.01 0.07 0.00 0.48 0.00 0.00 55.95 55.49 2eej s SER 33 Cb 0.00 -0.06 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 2eej s SER 33 CO 0.00 -0.27 -0.18 -0.36 0.98 0.00 0.00 173.24 173.41 2eej s PHE 34 N -3.19 1.60 -0.10 5.02 0.40 -1.23 -1.35 117.98 119.14 2eej s PHE 34 Ca 0.19 -0.45 -0.26 0.00 -0.60 0.00 0.00 56.93 55.80 2eej s PHE 34 Cb 0.01 -0.87 -0.02 0.00 0.51 0.00 0.00 43.02 42.65 2eej s PHE 34 CO 0.03 0.18 0.85 0.42 0.70 0.00 0.00 175.22 177.39 2eej s ILE 35 N -1.43 4.91 0.07 0.64 1.01 -0.45 -2.42 121.20 123.53 2eej s ILE 35 Ca 0.06 1.72 -0.09 0.00 0.00 0.00 0.00 60.65 62.33 2eej s ILE 35 Cb -0.09 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.22 2eej s ILE 35 CO 0.04 0.11 0.20 -0.75 0.00 0.00 0.00 174.94 174.55 2eej s LYS 36 N 1.52 0.79 -1.87 2.79 2.20 0.34 -3.84 119.74 121.67 2eej s LYS 36 Ca 0.42 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 2eej s LYS 36 Cb -0.18 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 2eej s LYS 36 CO 0.18 -0.25 0.00 0.39 -0.36 0.00 0.00 175.35 175.31 2eej n GLU 37 N 0.24 -1.46 -2.27 4.03 -0.58 -1.26 0.08 120.64 119.43 2eej n GLU 37 Ca -0.17 1.07 -0.43 0.00 -0.42 0.00 0.00 57.16 57.22 2eej n GLU 37 Cb 0.61 -5.52 -0.02 0.00 -0.57 0.00 0.00 31.44 25.93 2eej n GLU 37 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2eej s VAL 38 N -2.85 4.01 0.32 2.62 0.11 -1.26 -4.37 120.40 118.98 2eej s VAL 38 Ca 0.00 1.21 -0.23 0.00 -2.93 0.00 0.00 61.98 60.02 2eej s VAL 38 Cb 0.00 -3.81 -0.10 0.00 -1.53 0.00 0.00 36.38 30.94 2eej s VAL 38 CO 0.00 -0.14 0.89 -1.10 -3.33 0.00 0.00 175.10 171.42 2eej s GLN 39 N 3.79 4.43 -0.19 1.54 1.11 0.11 -4.96 119.66 125.49 2eej s GLN 39 Ca 0.62 1.16 -0.29 0.00 0.01 0.00 0.00 55.36 56.86 2eej s GLN 39 Cb -0.25 -2.69 0.00 0.00 -1.01 0.00 0.00 33.01 29.05 2eej s GLN 39 CO 0.21 0.25 1.04 0.21 0.01 0.00 0.00 175.29 177.01 2eej s LYS 40 N -2.27 4.31 0.00 2.91 2.36 -1.26 -3.56 119.74 122.22 2eej s LYS 40 Ca 0.51 1.39 0.00 0.00 -2.55 0.00 0.00 55.97 55.32 2eej s LYS 40 Cb -0.16 -3.61 0.00 0.00 -1.05 0.00 0.00 37.83 33.01 2eej s LYS 40 CO 0.21 -0.53 0.00 0.41 1.55 0.00 0.00 175.35 176.99 2eej n GLY 41 N 3.26 2.24 0.00 5.54 0.00 -1.26 -5.07 105.19 109.90 2eej n GLY 41 Ca 0.11 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 -3.07 0.11 -0.02 0.00 -1.23 -4.49 105.19 96.48 2eej n GLY 42 Ca 0.00 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 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 0.25 0.44 1.61 0.13 -1.89 -2.61 132.00 129.92 2eej h PRO 43 Ca 0.00 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 2eej h PRO 43 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 2eej h PRO 43 CO 0.00 0.66 -0.51 0.00 -0.23 0.00 0.00 178.00 177.92 2eej h ALA 44 N 0.58 -1.11 0.00 -0.56 0.00 -1.89 0.80 119.26 117.09 2eej h ALA 44 Ca 0.02 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.78 2eej h ALA 44 Cb 0.61 0.76 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 2eej h ALA 44 CO 0.02 -1.17 -0.39 0.22 0.00 0.00 0.00 179.25 177.93 2eej h ASP 45 N -0.96 -1.19 -0.92 0.00 3.58 -1.75 -0.47 116.42 114.70 2eej h ASP 45 Ca -0.05 0.15 0.19 0.00 0.42 0.00 0.00 57.03 57.73 2eej h ASP 45 Cb 0.86 0.47 -0.11 0.00 1.72 0.00 0.00 39.33 42.27 2eej h ASP 45 CO -0.10 -0.44 0.50 -0.07 -2.88 0.00 0.00 179.24 176.25 2eej h LEU 46 N -0.55 0.58 -0.96 2.28 3.38 -1.33 0.13 115.31 118.85 2eej h LEU 46 Ca 0.05 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2eej h LEU 46 Cb 0.63 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 2eej h LEU 46 CO -0.30 0.18 0.14 0.00 0.09 0.00 0.00 178.44 178.55 2eej h ALA 47 N 1.64 1.16 0.00 1.53 0.00 0.29 -3.47 119.26 120.40 2eej h ALA 47 Ca 0.54 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2eej h ALA 47 Cb 0.87 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2eej h ALA 47 CO -0.42 0.57 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2eej n GLY 48 N -0.82 1.13 3.85 0.00 0.00 0.47 -4.98 105.19 104.84 2eej n GLY 48 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 4.00 0.40 0.99 1.43 -0.84 -5.02 118.68 119.63 2eej s LEU 49 Ca 0.00 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 2eej s LEU 49 Cb 0.00 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 2eej s LEU 49 CO 0.00 0.06 0.10 -1.61 0.23 0.00 0.00 176.35 175.13 2eej s GLU 50 N -3.19 1.89 0.00 1.70 2.02 -1.26 -4.51 118.70 115.35 2eej s GLU 50 Ca 0.32 -2.14 0.04 0.00 0.02 0.00 0.00 54.97 53.21 2eej s GLU 50 Cb -0.10 -0.75 0.23 0.00 0.10 0.00 0.00 34.13 33.60 2eej s GLU 50 CO 0.25 -0.40 1.08 -0.40 0.02 0.00 0.00 175.26 175.81 2eej n ASP 51 N -1.16 0.00 -0.00 -0.19 5.68 -1.26 -3.09 116.55 116.52 2eej n ASP 51 Ca -0.06 -1.74 -0.00 0.00 -0.50 0.00 0.00 54.79 52.48 2eej n ASP 51 Cb 0.65 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.63 2eej n ASP 51 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2eej n GLU 52 N -0.56 3.43 -1.51 0.11 1.02 -1.25 -4.62 120.64 117.26 2eej n GLU 52 Ca 0.03 -0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.78 2eej n GLU 52 Cb 0.01 -1.02 0.03 0.00 -0.02 0.00 0.00 31.44 30.44 2eej n GLU 52 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2eej n ASP 53 N -1.98 -0.43 -4.35 1.62 8.00 -1.18 -4.69 116.55 113.54 2eej n ASP 53 Ca -0.01 0.81 -0.25 0.00 0.71 0.00 0.00 54.79 56.04 2eej n ASP 53 Cb 0.47 -1.22 -0.12 0.00 -0.02 0.00 0.00 41.12 40.23 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 -1.60 2.00 -0.57 2.53 -7.23 -1.26 -1.34 120.40 112.93 2eej s VAL 54 Ca 0.69 -1.80 -0.18 0.00 -1.81 0.00 0.00 61.98 58.88 2eej s VAL 54 Cb -0.47 -1.85 0.11 0.00 0.56 0.00 0.00 36.38 34.73 2eej s VAL 54 CO 0.54 -0.11 0.62 -0.63 -0.31 0.00 0.00 175.10 175.21 2eej s ILE 55 N -1.50 4.97 -0.02 -0.62 1.01 -0.46 -3.86 121.20 120.73 2eej s ILE 55 Ca 0.14 -1.19 -0.24 0.00 0.00 0.00 0.00 60.65 59.36 2eej s ILE 55 Cb -0.08 -4.43 -0.20 0.00 0.01 0.00 0.00 42.46 37.76 2eej s ILE 55 CO 0.06 -1.02 1.19 0.40 0.00 0.00 0.00 174.94 175.57 2eej h ILE 56 N 5.91 1.45 -4.07 2.92 2.04 -1.02 -3.35 117.51 121.38 2eej h ILE 56 Ca -0.30 -1.48 -0.36 0.00 1.00 0.00 0.00 64.86 63.73 2eej h ILE 56 Cb 1.09 2.33 -0.14 0.00 -0.74 0.00 0.00 36.82 39.36 2eej h ILE 56 CO 1.08 0.40 -0.59 -1.83 0.00 0.00 0.00 178.15 177.21 2eej s GLU 57 N -3.84 1.46 -0.24 2.37 -1.05 -1.26 -1.29 118.70 114.86 2eej s GLU 57 Ca -0.16 -1.81 -0.03 0.00 -0.15 0.00 0.00 54.97 52.82 2eej s GLU 57 Cb 0.02 -0.05 0.13 0.00 -0.44 0.00 0.00 34.13 33.79 2eej s GLU 57 CO 0.71 -0.40 0.39 0.54 0.95 0.00 0.00 175.26 177.45 2eej s VAL 58 N -3.76 -0.61 -0.75 1.83 0.11 -0.89 -3.06 120.40 113.26 2eej s VAL 58 Ca 0.37 -0.03 -0.04 0.00 -2.93 0.00 0.00 61.98 59.36 2eej s VAL 58 Cb 0.06 -0.79 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 2eej s VAL 58 CO 0.16 -0.09 0.47 0.59 -3.33 0.00 0.00 175.10 172.89 2eej n ASN 59 N 5.37 -4.08 -2.25 3.54 4.13 -1.05 -4.01 115.26 116.92 2eej n ASN 59 Ca -0.04 -0.21 -0.03 0.00 1.68 0.00 0.00 54.58 55.97 2eej n ASN 59 Cb 0.50 -2.81 0.01 0.00 -1.54 0.00 0.00 39.78 35.95 2eej n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2eej n GLY 60 N -1.21 -0.44 3.32 7.41 0.00 -1.26 -5.06 105.19 107.95 2eej n GLY 60 Ca -0.03 0.11 0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.08 -0.24 -0.47 1.61 0.11 -1.26 -5.11 120.40 111.97 2eej s VAL 61 Ca 0.09 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.87 2eej s VAL 61 Cb -0.01 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 2eej s VAL 61 CO 0.34 0.00 1.92 0.21 -3.33 0.00 0.00 175.10 174.24 2eej s ASN 62 N 2.13 5.42 -0.45 3.54 3.84 -1.26 -2.10 114.94 126.05 2eej s ASN 62 Ca -0.02 0.87 0.04 0.00 0.21 0.00 0.00 52.86 53.96 2eej s ASN 62 Cb -0.03 -2.52 0.62 0.00 -0.55 0.00 0.00 41.25 38.77 2eej s ASN 62 CO -0.16 -2.16 1.87 1.33 -2.79 0.00 0.00 177.10 175.18 2eej n VAL 63 N 7.41 3.16 0.44 -5.21 0.24 -0.41 -4.67 118.33 119.31 2eej n VAL 63 Ca 0.24 -2.16 -0.20 0.00 -2.04 0.00 0.00 64.34 60.18 2eej n VAL 63 Cb 0.50 -0.53 -0.10 0.00 -1.47 0.00 0.00 33.84 32.24 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 1.12 -1.20 -0.54 1.34 3.38 -1.84 -3.10 115.31 114.47 2eej h LEU 64 Ca 0.58 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 58.47 2eej h LEU 64 Cb 2.49 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 43.58 2eej h LEU 64 CO 1.07 -0.75 -0.33 0.44 0.09 0.00 0.00 178.44 178.95 2eej h ASP 65 N -1.21 0.87 -1.35 -0.43 3.32 -1.87 0.11 116.42 115.86 2eej h ASP 65 Ca -0.11 -0.37 -0.65 0.00 0.02 0.00 0.00 57.03 55.93 2eej h ASP 65 Cb 0.96 -0.24 0.13 0.00 0.22 0.00 0.00 39.33 40.41 2eej h ASP 65 CO 0.12 1.12 -0.72 -0.62 -1.72 0.00 0.00 179.24 177.42 2eej n GLU 66 N -4.07 0.01 -0.34 3.56 -0.58 -1.17 -4.74 120.64 113.32 2eej n GLU 66 Ca -0.01 0.01 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 2eej n GLU 66 Cb 0.50 -1.01 0.08 0.00 -0.57 0.00 0.00 31.44 30.44 2eej n GLU 66 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2eej n PRO 67 N 1.15 -1.73 0.08 3.49 -0.04 -1.26 -4.27 135.00 132.43 2eej n PRO 67 Ca 0.15 -0.57 -0.10 0.00 -0.04 0.00 0.00 63.50 62.94 2eej n PRO 67 Cb 0.32 -0.53 -0.12 0.00 -0.04 0.00 0.00 33.50 33.13 2eej n PRO 67 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 2eej h TYR 68 N -1.92 0.18 -0.06 0.54 3.20 -1.92 -2.72 116.97 114.28 2eej h TYR 68 Ca -0.13 -0.13 -0.15 0.00 3.14 0.00 0.00 58.73 61.46 2eej h TYR 68 Cb 0.41 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2eej h TYR 68 CO 0.00 1.09 -0.61 0.93 -1.64 0.00 0.00 178.16 177.92 2eej h GLU 69 N 0.03 0.21 0.00 1.82 5.08 -1.99 -1.67 114.58 118.07 2eej h GLU 69 Ca -0.05 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.01 2eej h GLU 69 Cb 1.81 0.02 0.01 0.00 0.50 0.00 0.00 28.75 31.10 2eej h GLU 69 CO 0.15 0.76 -0.57 0.87 -1.00 0.00 0.00 179.01 179.22 2eej h LYS 70 N 0.16 0.38 -0.54 2.33 1.79 -1.92 -2.04 116.57 116.72 2eej h LYS 70 Ca -0.01 -0.42 -0.06 0.00 -2.18 0.00 0.00 60.65 57.99 2eej h LYS 70 Cb 1.12 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.87 2eej h LYS 70 CO 0.09 1.09 0.11 -0.39 -1.08 0.00 0.00 179.45 179.27 2eej h VAL 71 N -0.16 1.25 0.16 0.50 -1.51 -1.51 -1.56 116.25 113.43 2eej h VAL 71 Ca -0.07 -0.92 -0.01 0.00 -1.23 0.00 0.00 66.70 64.47 2eej h VAL 71 Cb 1.30 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 2eej h VAL 71 CO 0.11 0.33 -0.08 1.62 -1.23 0.00 0.00 177.57 178.33 2eej h VAL 72 N 0.78 0.96 -0.77 7.19 3.04 -1.39 -2.53 116.25 123.53 2eej h VAL 72 Ca 0.17 -0.68 0.11 0.00 -1.01 0.00 0.00 66.70 65.29 2eej h VAL 72 Cb 0.38 1.37 -0.05 0.00 -2.01 0.00 0.00 31.29 30.97 2eej h VAL 72 CO 0.01 0.16 0.51 -0.78 -1.01 0.00 0.00 177.57 176.45 2eej h ASP 73 N -0.55 0.59 -0.28 3.17 1.82 -1.36 -0.01 116.42 119.80 2eej h ASP 73 Ca -0.02 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 2eej h ASP 73 Cb 0.42 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 2eej h ASP 73 CO 0.04 0.34 0.08 0.03 -1.61 0.00 0.00 179.24 178.12 2eej h ARG 74 N 0.65 0.44 -0.55 0.28 3.08 -1.18 0.35 114.38 117.45 2eej h ARG 74 Ca 0.36 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 60.20 2eej h ARG 74 Cb 0.53 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 2eej h ARG 74 CO -0.13 0.51 -0.10 0.82 -1.07 0.00 0.00 179.97 179.99 2eej h ILE 75 N 0.29 1.27 -0.30 2.04 2.04 -0.88 -2.64 117.51 119.33 2eej h ILE 75 Ca 0.09 -1.27 -0.15 0.00 1.00 0.00 0.00 64.86 64.54 2eej h ILE 75 Cb 0.25 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2eej h ILE 75 CO -0.00 0.45 -0.38 1.56 0.00 0.00 0.00 178.15 179.78 2eej h GLN 76 N 0.93 0.79 -0.22 2.37 4.20 -0.92 -3.03 115.11 119.23 2eej h GLN 76 Ca 0.14 -0.45 0.02 0.00 0.06 0.00 0.00 58.65 58.42 2eej h GLN 76 Cb 0.68 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 2eej h GLN 76 CO 0.05 1.08 0.15 1.03 -0.67 0.00 0.00 178.83 180.46 2eej h SER 77 N 0.55 0.20 0.00 1.46 0.87 -0.23 -3.19 113.55 113.20 2eej h SER 77 Ca 0.04 -0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.13 2eej h SER 77 Cb 0.97 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.89 2eej h SER 77 CO 0.09 0.14 2.75 -0.24 -0.53 0.00 0.00 176.83 179.04 2eej n SER 78 N -4.50 6.28 0.00 6.23 2.88 -1.00 -4.93 113.62 118.58 2eej n SER 78 Ca 0.01 -2.41 0.00 0.00 -1.33 0.00 0.00 58.87 55.14 2eej n SER 78 Cb 0.13 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.32 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 3.56 1.23 0.13 0.46 0.00 -1.21 -3.01 105.19 106.34 2eej n GLY 79 Ca 0.56 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 46.29 2eej n GLY 79 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2eej h LYS 80 N 0.00 0.27 -6.10 1.61 5.09 -1.91 -3.45 116.57 112.08 2eej h LYS 80 Ca 0.00 -0.46 -0.58 0.00 0.09 0.00 0.00 60.65 59.71 2eej h LYS 80 Cb 0.00 0.17 -0.05 0.00 0.10 0.00 0.00 32.23 32.45 2eej h LYS 80 CO 0.00 1.13 -0.07 1.21 -2.09 0.00 0.00 179.45 179.64 2eej s ASN 81 N -6.98 6.96 -0.13 7.07 2.47 -1.16 -1.59 114.94 121.56 2eej s ASN 81 Ca -0.15 1.13 -0.20 0.00 0.42 0.00 0.00 52.86 54.06 2eej s ASN 81 Cb 0.06 -2.34 0.05 0.00 -1.45 0.00 0.00 41.25 37.58 2eej s ASN 81 CO 0.82 0.20 0.52 0.54 -3.72 0.00 0.00 177.10 175.45 2eej s VAL 82 N -0.63 0.01 -0.04 -5.21 0.11 -1.21 -4.73 120.40 108.72 2eej s VAL 82 Ca 0.28 -0.10 -0.15 0.00 -2.93 0.00 0.00 61.98 59.09 2eej s VAL 82 Cb -0.18 -0.77 -0.05 0.00 -1.53 0.00 0.00 36.38 33.85 2eej s VAL 82 CO 0.17 -0.05 0.39 -0.89 -3.33 0.00 0.00 175.10 171.38 2eej s THR 83 N -0.35 5.10 -0.01 5.04 2.01 -1.26 -1.38 115.64 124.80 2eej s THR 83 Ca -0.05 0.79 0.01 0.00 0.31 0.00 0.00 61.69 62.75 2eej s THR 83 Cb -0.03 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.78 2eej s THR 83 CO 0.03 0.53 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.70 2eej s LEU 84 N -0.68 1.89 -0.31 4.42 1.02 -1.17 -2.52 118.68 121.33 2eej s LEU 84 Ca 0.23 -0.06 -0.08 0.00 0.02 0.00 0.00 54.13 54.24 2eej s LEU 84 Cb -0.16 -0.19 0.01 0.00 0.02 0.00 0.00 46.19 45.87 2eej s LEU 84 CO 0.11 0.02 0.10 -0.22 0.02 0.00 0.00 176.35 176.39 2eej s LEU 85 N 0.08 3.98 -0.09 1.79 0.20 -1.17 -3.59 118.68 119.88 2eej s LEU 85 Ca -0.00 -0.73 0.00 0.00 0.69 0.00 0.00 54.13 54.09 2eej s LEU 85 Cb -0.03 -1.91 -0.03 0.00 -0.43 0.00 0.00 46.19 43.79 2eej s LEU 85 CO -0.00 -0.21 -0.07 0.68 -0.29 0.00 0.00 176.35 176.45 2eej s VAL 86 N 1.51 3.64 0.03 1.68 -7.23 -1.25 -0.37 120.40 118.42 2eej s VAL 86 Ca 0.03 -0.49 0.02 0.00 -1.81 0.00 0.00 61.98 59.73 2eej s VAL 86 Cb -0.17 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 2eej s VAL 86 CO 0.03 0.58 -0.08 0.00 -0.31 0.00 0.00 175.10 175.32 2eej n GLY 88 N 1.81 0.02 3.35 0.00 0.00 -1.26 -4.53 105.19 104.59 2eej n GLY 88 Ca -0.20 0.83 -0.29 0.00 0.00 0.00 0.00 46.02 46.36 2eej n GLY 88 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2eej n LYS 89 N 4.43 -2.72 -0.01 1.61 -0.00 -1.26 -5.01 118.16 115.19 2eej n LYS 89 Ca 0.33 -0.78 -0.04 0.00 -0.00 0.00 0.00 58.31 57.82 2eej n LYS 89 Cb -0.04 -1.97 -0.01 0.00 -0.00 0.00 0.00 35.03 33.01 2eej n LYS 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2eej n LYS 90 N -4.25 0.10 -3.54 -1.58 3.00 -1.26 -4.93 118.16 105.70 2eej n LYS 90 Ca 0.03 0.04 -0.41 0.00 -0.00 0.00 0.00 58.31 57.98 2eej n LYS 90 Cb 0.56 -0.68 -0.07 0.00 0.00 0.00 0.00 35.03 34.84 2eej n LYS 90 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2eej s SER 91 N -5.58 5.82 0.00 3.14 1.04 -1.26 -5.00 113.70 111.86 2eej s SER 91 Ca -0.07 -2.35 0.00 0.00 0.48 0.00 0.00 55.95 54.01 2eej s SER 91 Cb 0.02 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 64.13 2eej s SER 91 CO 0.09 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.34 2eej n GLY 92 N 4.31 1.19 3.56 7.32 0.00 -1.26 -4.69 105.19 115.61 2eej n GLY 92 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2eej n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eej s PRO 93 N 0.00 2.58 0.05 1.61 0.04 -1.26 -4.85 135.00 133.16 2eej s PRO 93 Ca 0.00 0.07 -0.35 0.00 0.04 0.00 0.00 61.00 60.77 2eej s PRO 93 Cb 0.00 -4.79 -0.19 0.00 0.04 0.00 0.00 34.50 29.55 2eej s PRO 93 CO 0.00 -3.13 1.48 0.77 0.04 0.00 0.00 177.00 176.16 2eej h SER 94 N 12.78 -1.01 -3.08 6.66 0.02 -2.02 -3.41 113.55 123.48 2eej h SER 94 Ca -0.05 0.03 -0.53 0.00 -0.84 0.00 0.00 61.79 60.40 2eej h SER 94 Cb 1.07 0.26 0.01 0.00 0.14 0.00 0.00 62.40 63.88 2eej h SER 94 CO 1.21 -0.69 0.66 -0.44 -1.14 0.00 0.00 176.83 176.43 2eej s SER 95 N -4.17 6.95 0.00 3.07 0.01 -1.26 -5.24 113.70 113.06 2eej s SER 95 Ca -0.18 2.15 0.01 0.00 1.31 0.00 0.00 55.95 59.23 2eej s SER 95 Cb 0.02 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2eej s SER 95 CO 0.57 -0.58 0.52 0.61 0.41 0.00 0.00 173.24 174.77