#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 3.84 -1.07 1.61 0.15 -1.14 -4.83 113.70 112.26 2eej s SER 2 Ca 0.00 -3.31 -0.01 0.00 0.70 0.00 0.00 55.95 53.33 2eej s SER 2 Cb 0.00 -1.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 2eej s SER 2 CO 0.00 -0.16 0.90 -0.24 1.20 0.00 0.00 173.24 174.94 2eej n SER 3 N 2.65 -2.71 0.00 5.45 2.88 -1.26 -3.32 113.62 117.32 2eej n SER 3 Ca 0.17 -0.53 0.00 0.00 -1.33 0.00 0.00 58.87 57.18 2eej n SER 3 Cb 0.37 -4.51 0.00 0.00 -0.75 0.00 0.00 64.21 59.32 2eej n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eej n GLY 4 N -1.24 1.73 3.36 0.46 0.00 -1.26 -4.96 105.19 103.29 2eej n GLY 4 Ca -0.21 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 2eej n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eej n SER 5 N 3.76 -2.11 -2.22 1.61 7.64 -1.21 -2.34 113.62 118.76 2eej n SER 5 Ca 0.00 -0.14 -0.00 0.00 1.01 0.00 0.00 58.87 59.74 2eej n SER 5 Cb 0.00 -1.09 -0.00 0.00 -1.01 0.00 0.00 64.21 62.11 2eej n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2eej n SER 6 N -3.16 -0.86 -3.29 6.43 7.64 -1.26 -2.90 113.62 116.22 2eej n SER 6 Ca 0.02 0.41 -0.21 0.00 1.01 0.00 0.00 58.87 60.10 2eej n SER 6 Cb 0.58 -0.86 0.16 0.00 -1.01 0.00 0.00 64.21 63.08 2eej n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eej n GLY 7 N -0.43 -1.88 0.00 0.23 0.00 -0.99 -4.43 105.19 97.69 2eej n GLY 7 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2eej n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eej n PRO 8 N -3.29 -0.06 -3.93 1.61 -0.04 -1.26 -4.64 135.00 123.39 2eej n PRO 8 Ca 0.11 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.47 2eej n PRO 8 Cb 0.40 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.75 2eej n PRO 8 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2eej s LYS 9 N -1.57 0.30 -0.06 0.54 -2.85 -0.29 -4.88 119.74 110.93 2eej s LYS 9 Ca 0.00 -0.43 -0.19 0.00 -1.00 0.00 0.00 55.97 54.36 2eej s LYS 9 Cb 0.00 0.12 -0.05 0.00 -2.06 0.00 0.00 37.83 35.84 2eej s LYS 9 CO 0.00 -0.06 0.51 -1.17 0.10 0.00 0.00 175.35 174.73 2eej s LEU 10 N -1.15 4.35 -0.06 2.77 1.98 -1.26 -3.02 118.68 122.29 2eej s LEU 10 Ca -0.13 0.96 0.00 0.00 -2.89 0.00 0.00 54.13 52.08 2eej s LEU 10 Cb -0.08 -2.76 0.02 0.00 0.66 0.00 0.00 46.19 44.04 2eej s LEU 10 CO -0.00 0.08 -0.05 0.00 -1.89 0.00 0.00 176.35 174.49 2eej s ARG 12 N 1.26 2.73 0.26 0.00 1.81 -1.26 -1.95 118.95 121.79 2eej s ARG 12 Ca -0.05 -1.16 -0.26 0.00 -1.72 0.00 0.00 55.73 52.54 2eej s ARG 12 Cb -0.14 -3.66 -0.09 0.00 -0.45 0.00 0.00 34.95 30.62 2eej s ARG 12 CO -0.02 -0.72 0.88 -0.51 -0.68 0.00 0.00 175.30 174.25 2eej s LEU 13 N 1.49 4.46 -0.24 2.53 1.43 -0.91 -4.86 118.68 122.59 2eej s LEU 13 Ca 0.01 1.78 -0.01 0.00 -1.03 0.00 0.00 54.13 54.88 2eej s LEU 13 Cb -0.20 -3.73 0.07 0.00 0.03 0.00 0.00 46.19 42.37 2eej s LEU 13 CO 0.05 0.05 0.02 0.00 0.23 0.00 0.00 176.35 176.71 2eej s ALA 14 N -1.41 1.53 -0.18 4.21 0.00 -1.26 -2.82 121.76 121.83 2eej s ALA 14 Ca 0.44 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 2eej s ALA 14 Cb -0.21 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 2eej s ALA 14 CO 0.26 -1.33 1.54 0.21 0.00 0.00 0.00 175.76 176.45 2eej s LYS 15 N 1.60 3.96 -0.11 0.00 2.20 -0.39 -4.69 119.74 122.32 2eej s LYS 15 Ca 0.01 1.75 -0.03 0.00 -0.36 0.00 0.00 55.97 57.34 2eej s LYS 15 Cb -0.18 -3.97 -0.06 0.00 -1.51 0.00 0.00 37.83 32.12 2eej s LYS 15 CO -0.12 -1.09 -0.12 0.41 -0.36 0.00 0.00 175.35 174.08 2eej n GLY 16 N 4.35 -0.16 3.48 5.54 0.00 -1.26 -4.91 105.19 112.22 2eej n GLY 16 Ca 0.17 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 2eej n GLY 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2eej s GLU 17 N -2.20 1.26 -1.70 1.61 4.04 -1.26 -4.95 118.70 115.50 2eej s GLU 17 Ca -0.15 -0.50 -0.18 0.00 0.04 0.00 0.00 54.97 54.18 2eej s GLU 17 Cb 0.05 0.56 0.18 0.00 0.02 0.00 0.00 34.13 34.94 2eej s GLU 17 CO 0.21 -0.56 0.45 0.09 -1.84 0.00 0.00 175.26 173.61 2eej n ASN 18 N -0.37 -1.18 -1.10 0.83 4.13 -1.26 -4.43 115.26 111.88 2eej n ASN 18 Ca -0.14 -1.17 0.15 0.00 1.68 0.00 0.00 54.58 55.09 2eej n ASN 18 Cb 0.64 -1.49 -0.04 0.00 -1.54 0.00 0.00 39.78 37.34 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 -1.32 -2.03 1.93 7.41 0.00 -1.26 -4.87 105.19 105.05 2eej n GLY 19 Ca 0.03 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.63 -2.42 -1.38 1.61 4.01 -1.26 -4.64 117.16 109.44 2eej n TYR 20 Ca -0.01 -0.22 -0.16 0.00 -0.16 0.00 0.00 57.90 57.35 2eej n TYR 20 Cb 0.51 -0.82 0.18 0.00 -0.31 0.00 0.00 39.34 38.89 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 -1.96 4.88 3.73 2.72 0.00 -1.26 -4.98 105.19 108.32 2eej n GLY 21 Ca 0.06 -1.31 -0.06 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.33 -0.22 0.22 1.61 -0.71 -1.26 -0.68 117.98 113.61 2eej s PHE 22 Ca 0.51 -0.12 -0.00 0.00 -1.04 0.00 0.00 56.93 56.29 2eej s PHE 22 Cb 0.45 0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 42.86 2eej s PHE 22 CO 0.04 -0.96 0.11 -1.01 -1.34 0.00 0.00 175.22 172.07 2eej s HIS 23 N -3.56 1.30 0.20 3.49 3.76 -0.20 -4.95 115.29 115.33 2eej s HIS 23 Ca 0.10 -1.28 0.06 0.00 -0.15 0.00 0.00 55.06 53.79 2eej s HIS 23 Cb -0.03 -0.70 -0.04 0.00 1.11 0.00 0.00 32.58 32.92 2eej s HIS 23 CO 0.01 -0.50 0.10 -0.51 -0.85 0.00 0.00 174.74 173.00 2eej s LEU 24 N -3.22 3.64 -0.14 0.89 1.02 -1.26 -0.42 118.68 119.18 2eej s LEU 24 Ca 0.38 -0.27 -0.05 0.00 0.02 0.00 0.00 54.13 54.21 2eej s LEU 24 Cb 0.07 -2.23 0.07 0.00 0.02 0.00 0.00 46.19 44.12 2eej s LEU 24 CO 0.12 0.04 0.30 0.21 0.02 0.00 0.00 176.35 177.05 2eej s ASN 25 N -3.28 0.12 -0.18 2.29 2.47 -0.96 -4.85 114.94 110.54 2eej s ASN 25 Ca 0.31 0.69 -0.29 0.00 0.42 0.00 0.00 52.86 53.99 2eej s ASN 25 Cb -0.09 0.83 -0.02 0.00 -1.45 0.00 0.00 41.25 40.52 2eej s ASN 25 CO 0.22 -0.23 1.40 0.00 -3.72 0.00 0.00 177.10 174.77 2eej s ALA 26 N 2.31 3.54 -0.11 1.71 0.00 -1.26 -3.47 121.76 124.48 2eej s ALA 26 Ca -0.01 0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.47 2eej s ALA 26 Cb -0.12 -3.71 0.01 0.00 0.00 0.00 0.00 23.12 19.30 2eej s ALA 26 CO -0.10 -1.45 -0.22 0.42 0.00 0.00 0.00 175.76 174.42 2eej s ILE 27 N 4.03 1.97 0.08 0.00 -1.09 -1.26 -5.09 121.20 119.84 2eej s ILE 27 Ca 0.61 -0.95 -0.30 0.00 -2.23 0.00 0.00 60.65 57.78 2eej s ILE 27 Cb -0.23 -1.73 -0.05 0.00 -1.58 0.00 0.00 42.46 38.86 2eej s ILE 27 CO 0.21 0.54 1.09 -0.60 -1.23 0.00 0.00 174.94 174.95 2eej s ARG 28 N 0.59 4.54 0.00 2.79 6.06 -1.26 -4.00 118.95 127.67 2eej s ARG 28 Ca -0.13 1.63 0.00 0.00 -2.50 0.00 0.00 55.73 54.73 2eej s ARG 28 Cb -0.17 -3.36 0.00 0.00 0.06 0.00 0.00 34.95 31.48 2eej s ARG 28 CO 0.04 -0.06 0.00 0.41 -2.50 0.00 0.00 175.30 173.19 2eej n GLY 29 N 2.71 3.57 3.48 8.12 0.00 -1.26 -5.09 105.19 116.72 2eej n GLY 29 Ca 0.06 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 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 2.71 0.55 0.99 2.01 -1.26 -5.12 118.68 118.57 2eej s LEU 30 Ca 0.00 -0.37 -0.19 0.00 0.01 0.00 0.00 54.13 53.58 2eej s LEU 30 Cb 0.00 -1.58 -0.06 0.00 0.01 0.00 0.00 46.19 44.57 2eej s LEU 30 CO 0.00 0.26 1.13 -2.16 1.01 0.00 0.00 176.35 176.59 2eej s PRO 31 N -1.41 3.34 0.00 1.29 0.04 -1.26 -4.84 135.00 132.16 2eej s PRO 31 Ca 0.15 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2eej s PRO 31 Cb -0.11 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2eej s PRO 31 CO 0.06 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.65 2eej n GLY 32 N 0.13 -1.80 2.00 0.56 0.00 -1.01 -4.97 105.19 100.11 2eej n GLY 32 Ca 0.12 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 2eej n GLY 32 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eej n SER 33 N -2.34 0.61 -3.86 1.61 2.88 -1.26 -4.71 113.62 106.55 2eej n SER 33 Ca 0.00 -1.54 -0.12 0.00 -1.33 0.00 0.00 58.87 55.88 2eej n SER 33 Cb 0.00 -0.36 -0.12 0.00 -0.75 0.00 0.00 64.21 62.98 2eej n SER 33 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2eej s PHE 34 N -1.62 -0.04 -0.13 0.66 0.40 -1.23 -2.88 117.98 113.14 2eej s PHE 34 Ca 0.35 0.09 -0.29 0.00 -0.60 0.00 0.00 56.93 56.47 2eej s PHE 34 Cb -0.02 -0.01 -0.01 0.00 0.51 0.00 0.00 43.02 43.49 2eej s PHE 34 CO 0.23 -0.15 1.14 0.42 0.70 0.00 0.00 175.22 177.56 2eej s ILE 35 N -0.58 4.48 0.03 0.64 1.01 -0.37 -2.28 121.20 124.13 2eej s ILE 35 Ca -0.07 1.78 -0.00 0.00 0.00 0.00 0.00 60.65 62.36 2eej s ILE 35 Cb -0.04 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 2eej s ILE 35 CO 0.01 -0.07 -0.03 -0.75 0.00 0.00 0.00 174.94 174.09 2eej s LYS 36 N 2.70 0.39 -1.09 2.79 2.20 0.44 -3.44 119.74 123.73 2eej s LYS 36 Ca 0.51 -0.75 -0.03 0.00 -0.36 0.00 0.00 55.97 55.34 2eej s LYS 36 Cb -0.20 0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.24 2eej s LYS 36 CO 0.16 -0.06 0.35 0.39 -0.36 0.00 0.00 175.35 175.82 2eej n GLU 37 N 1.26 -2.98 -2.53 4.03 1.02 -1.26 -1.04 120.64 119.14 2eej n GLU 37 Ca -0.22 0.64 -0.43 0.00 -0.02 0.00 0.00 57.16 57.13 2eej n GLU 37 Cb 0.56 -4.90 -0.02 0.00 -0.02 0.00 0.00 31.44 27.06 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 -2.93 4.16 0.33 2.62 0.11 -1.26 -4.37 120.40 119.06 2eej s VAL 38 Ca 0.17 1.22 -0.29 0.00 -2.93 0.00 0.00 61.98 60.15 2eej s VAL 38 Cb -0.08 -4.45 -0.10 0.00 -1.53 0.00 0.00 36.38 30.22 2eej s VAL 38 CO 0.21 -0.84 1.33 -1.10 -3.33 0.00 0.00 175.10 171.36 2eej s GLN 39 N 4.45 4.34 -0.21 1.54 -1.52 0.15 -4.93 119.66 123.47 2eej s GLN 39 Ca 0.52 2.24 -0.26 0.00 -1.95 0.00 0.00 55.36 55.90 2eej s GLN 39 Cb -0.10 -3.07 -0.00 0.00 -0.22 0.00 0.00 33.01 29.62 2eej s GLN 39 CO 0.29 -0.23 0.91 0.21 -0.25 0.00 0.00 175.29 176.23 2eej s LYS 40 N -1.67 4.25 0.00 2.91 2.36 -1.26 -3.61 119.74 122.71 2eej s LYS 40 Ca 0.50 1.12 0.00 0.00 -2.55 0.00 0.00 55.97 55.04 2eej s LYS 40 Cb -0.40 -3.62 0.00 0.00 -1.05 0.00 0.00 37.83 32.76 2eej s LYS 40 CO 0.52 -0.50 0.00 0.41 1.55 0.00 0.00 175.35 177.33 2eej n GLY 41 N 3.51 1.27 0.00 5.54 0.00 -1.26 -5.08 105.19 109.16 2eej n GLY 41 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.26 5.11 0.21 -0.02 0.00 -1.24 -4.91 105.19 103.09 2eej n GLY 42 Ca 0.00 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 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 0.70 0.59 1.61 0.13 -1.89 -2.19 132.00 130.96 2eej h PRO 43 Ca 0.00 -0.37 -0.03 0.00 -0.87 0.00 0.00 66.00 64.73 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 0.98 -0.28 0.00 -0.23 0.00 0.00 178.00 178.47 2eej h ALA 44 N 0.71 -0.79 -0.01 -0.56 0.00 -1.88 -1.39 119.26 115.33 2eej h ALA 44 Ca 0.05 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2eej h ALA 44 Cb 0.85 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 2eej h ALA 44 CO 0.07 -0.77 -0.41 0.22 0.00 0.00 0.00 179.25 178.36 2eej h ASP 45 N -1.15 -1.25 -0.28 0.00 3.58 -1.73 0.22 116.42 115.82 2eej h ASP 45 Ca -0.08 0.15 0.07 0.00 0.42 0.00 0.00 57.03 57.59 2eej h ASP 45 Cb 0.64 0.49 -0.07 0.00 1.72 0.00 0.00 39.33 42.12 2eej h ASP 45 CO 0.13 -0.45 -0.18 -0.07 -2.88 0.00 0.00 179.24 175.79 2eej h LEU 46 N -0.56 -0.59 -1.14 2.28 3.38 -1.49 0.28 115.31 117.47 2eej h LEU 46 Ca 0.05 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2eej h LEU 46 Cb 0.64 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2eej h LEU 46 CO -0.32 -0.22 0.33 0.00 0.09 0.00 0.00 178.44 178.33 2eej h ALA 47 N 1.02 1.26 0.00 1.53 0.00 -0.74 -3.43 119.26 118.90 2eej h ALA 47 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2eej h ALA 47 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2eej h ALA 47 CO -0.37 -0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.02 2eej n GLY 48 N -1.27 1.05 3.82 0.00 0.00 0.98 -4.79 105.19 105.00 2eej n GLY 48 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 4.34 0.50 0.99 1.43 0.02 -5.00 118.68 120.96 2eej s LEU 49 Ca 0.00 1.30 0.02 0.00 -1.03 0.00 0.00 54.13 54.43 2eej s LEU 49 Cb 0.00 -3.49 -0.02 0.00 0.03 0.00 0.00 46.19 42.71 2eej s LEU 49 CO 0.00 0.05 0.04 -1.61 0.23 0.00 0.00 176.35 175.06 2eej s GLU 50 N -1.99 2.18 0.00 1.70 0.41 -1.26 -4.18 118.70 115.56 2eej s GLU 50 Ca 0.41 -2.33 0.09 0.00 -0.41 0.00 0.00 54.97 52.73 2eej s GLU 50 Cb -0.16 -1.60 0.55 0.00 -1.78 0.00 0.00 34.13 31.14 2eej s GLU 50 CO 0.20 -0.35 1.28 -0.40 -0.49 0.00 0.00 175.26 175.51 2eej n ASP 51 N -1.28 0.00 0.00 -0.19 5.75 -1.26 -3.15 116.55 116.43 2eej n ASP 51 Ca -0.16 -1.55 0.00 0.00 -0.01 0.00 0.00 54.79 53.07 2eej n ASP 51 Cb 0.67 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 2eej n ASP 51 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2eej n GLU 52 N -0.66 3.31 -1.67 0.11 -0.58 -1.22 -4.43 120.64 115.50 2eej n GLU 52 Ca 0.07 0.00 -0.61 0.00 -0.42 0.00 0.00 57.16 56.20 2eej n GLU 52 Cb 0.03 -0.97 -0.08 0.00 -0.57 0.00 0.00 31.44 29.85 2eej n GLU 52 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2eej n ASP 53 N -1.85 1.41 -4.92 1.62 9.92 -1.19 -4.51 116.55 117.03 2eej n ASP 53 Ca 0.00 1.14 -0.29 0.00 -0.53 0.00 0.00 54.79 55.11 2eej n ASP 53 Cb 0.41 -1.01 -0.04 0.00 -0.64 0.00 0.00 41.12 39.84 2eej n ASP 53 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2eej s VAL 54 N 2.26 5.19 -0.50 2.53 -7.23 -1.26 -1.23 120.40 120.15 2eej s VAL 54 Ca 0.97 -0.22 -0.19 0.00 -1.81 0.00 0.00 61.98 60.73 2eej s VAL 54 Cb -1.25 -3.70 0.05 0.00 0.56 0.00 0.00 36.38 32.05 2eej s VAL 54 CO 0.67 -0.12 0.62 -0.63 -0.31 0.00 0.00 175.10 175.33 2eej s ILE 55 N -1.82 4.88 -0.04 -0.62 1.01 -1.14 -4.03 121.20 119.45 2eej s ILE 55 Ca 0.39 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.60 2eej s ILE 55 Cb -0.11 -4.28 -0.00 0.00 0.01 0.00 0.00 42.46 38.08 2eej s ILE 55 CO 0.28 -0.77 -0.02 0.40 0.00 0.00 0.00 174.94 174.83 2eej h ILE 56 N 5.86 0.00 -5.11 2.92 2.04 -1.37 -3.38 117.51 118.47 2eej h ILE 56 Ca -0.27 -0.31 -0.57 0.00 1.00 0.00 0.00 64.86 64.71 2eej h ILE 56 Cb 1.10 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.08 2eej h ILE 56 CO 0.95 0.00 -0.38 -1.84 0.00 0.00 0.00 178.15 176.88 2eej n GLU 57 N -2.90 0.88 -3.45 2.37 0.28 -1.25 -0.99 120.64 115.57 2eej n GLU 57 Ca -0.01 -3.21 -0.02 0.00 -0.16 0.00 0.00 57.16 53.76 2eej n GLU 57 Cb 0.03 0.74 -0.05 0.00 1.43 0.00 0.00 31.44 33.59 2eej n GLU 57 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2eej s VAL 58 N -2.56 -0.88 -1.30 3.84 0.11 -0.22 -3.34 120.40 116.05 2eej s VAL 58 Ca 0.07 0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 59.09 2eej s VAL 58 Cb -0.01 -0.91 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 2eej s VAL 58 CO 0.04 -0.00 0.57 0.59 -3.33 0.00 0.00 175.10 172.97 2eej n ASN 59 N 5.42 -5.47 -1.85 3.54 3.02 -0.95 -3.61 115.26 115.36 2eej n ASN 59 Ca -0.07 -0.27 -0.03 0.00 -0.03 0.00 0.00 54.58 54.19 2eej n ASN 59 Cb 0.50 -4.28 0.01 0.00 -0.61 0.00 0.00 39.78 35.40 2eej n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eej n GLY 60 N -1.45 0.31 3.39 7.41 0.00 -1.26 -5.08 105.19 108.50 2eej n GLY 60 Ca -0.08 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.07 -0.21 -0.26 1.61 0.11 -1.24 -5.12 120.40 112.22 2eej s VAL 61 Ca 0.08 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.84 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 0.15 0.00 1.74 0.21 -3.33 0.00 0.00 175.10 173.88 2eej s ASN 62 N 1.98 6.11 -0.32 3.54 3.84 -1.26 -1.06 114.94 127.77 2eej s ASN 62 Ca -0.03 1.53 0.08 0.00 0.21 0.00 0.00 52.86 54.64 2eej s ASN 62 Cb -0.03 -2.53 0.48 0.00 -0.55 0.00 0.00 41.25 38.62 2eej s ASN 62 CO -0.16 -1.49 1.43 1.33 -2.79 0.00 0.00 177.10 175.42 2eej n VAL 63 N 6.92 2.61 0.11 -5.21 0.24 -0.16 -4.74 118.33 118.10 2eej n VAL 63 Ca 0.21 -3.17 -0.13 0.00 -2.04 0.00 0.00 64.34 59.22 2eej n VAL 63 Cb 0.46 -0.57 -0.08 0.00 -1.47 0.00 0.00 33.84 32.18 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 1.35 -0.25 -0.72 1.34 3.38 -1.79 -2.90 115.31 115.72 2eej h LEU 64 Ca 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2eej h LEU 64 Cb 1.48 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.29 2eej h LEU 64 CO 0.53 0.10 0.00 0.44 0.09 0.00 0.00 178.44 179.60 2eej h ASP 65 N -0.63 0.00 -3.95 -0.43 5.19 -1.91 -2.66 116.42 112.02 2eej h ASP 65 Ca -0.03 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.86 2eej h ASP 65 Cb 0.45 0.00 0.07 0.00 0.18 0.00 0.00 39.33 40.03 2eej h ASP 65 CO 0.05 0.00 0.54 -1.61 -3.12 0.00 0.00 179.24 175.10 2eej s GLU 66 N -3.33 3.95 0.72 3.56 8.01 -1.10 -4.97 118.70 125.54 2eej s GLU 66 Ca 0.04 1.95 -0.13 0.00 0.01 0.00 0.00 54.97 56.84 2eej s GLU 66 Cb 0.09 -2.65 0.03 0.00 -4.31 0.00 0.00 34.13 27.29 2eej s GLU 66 CO 0.41 -0.44 1.10 -1.25 0.01 0.00 0.00 175.26 175.09 2eej s PRO 67 N -2.35 2.51 0.45 0.39 0.04 -1.26 -4.59 135.00 130.20 2eej s PRO 67 Ca 0.58 1.27 0.14 0.00 0.04 0.00 0.00 61.00 63.03 2eej s PRO 67 Cb -0.33 -1.92 1.07 0.00 0.04 0.00 0.00 34.50 33.35 2eej s PRO 67 CO 0.42 -1.46 2.03 -0.92 0.04 0.00 0.00 177.00 177.11 2eej h TYR 68 N -0.58 0.34 -0.00 0.56 3.20 -1.95 0.13 116.97 118.66 2eej h TYR 68 Ca -0.45 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.34 2eej h TYR 68 Cb 1.24 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 2eej h TYR 68 CO 0.56 0.18 -0.43 0.93 -1.64 0.00 0.00 178.16 177.76 2eej h GLU 69 N 0.33 0.01 0.10 1.82 4.39 -2.00 -2.30 114.58 116.94 2eej h GLU 69 Ca 0.20 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 2eej h GLU 69 Cb 0.35 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2eej h GLU 69 CO -0.04 0.43 -0.05 0.87 -1.16 0.00 0.00 179.01 179.06 2eej h LYS 70 N 0.01 -0.13 -0.38 2.33 1.79 -1.36 -3.03 116.57 115.80 2eej h LYS 70 Ca -0.00 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.56 2eej h LYS 70 Cb 0.76 0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 31.35 2eej h LYS 70 CO 0.06 0.03 -0.26 -0.39 -1.08 0.00 0.00 179.45 177.81 2eej h VAL 71 N -1.02 0.32 -0.34 0.50 -1.51 -1.37 -1.22 116.25 111.61 2eej h VAL 71 Ca -0.01 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.53 2eej h VAL 71 Cb 0.23 0.32 -0.07 0.00 -2.13 0.00 0.00 31.29 29.64 2eej h VAL 71 CO 0.02 0.00 -0.14 1.62 -1.23 0.00 0.00 177.57 177.85 2eej h VAL 72 N -0.20 0.55 -0.70 7.19 3.04 -1.57 -0.92 116.25 123.64 2eej h VAL 72 Ca 0.18 0.00 0.11 0.00 -1.01 0.00 0.00 66.70 65.98 2eej h VAL 72 Cb 0.49 0.55 -0.08 0.00 -2.01 0.00 0.00 31.29 30.24 2eej h VAL 72 CO -0.50 0.00 0.31 -0.78 -1.01 0.00 0.00 177.57 175.60 2eej h ASP 73 N -0.07 0.36 -0.28 3.17 3.58 -1.18 0.94 116.42 122.94 2eej h ASP 73 Ca 0.17 0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.66 2eej h ASP 73 Cb 0.33 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 2eej h ASP 73 CO -0.39 0.19 0.07 0.03 -2.88 0.00 0.00 179.24 176.26 2eej h ARG 74 N 0.51 0.54 -0.01 0.28 3.08 -0.13 0.34 114.38 118.99 2eej h ARG 74 Ca 0.36 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 2eej h ARG 74 Cb 0.46 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2eej h ARG 74 CO -0.32 0.51 -0.03 0.82 -1.07 0.00 0.00 179.97 179.88 2eej h ILE 75 N 0.53 1.46 -0.49 2.04 2.04 0.27 -1.33 117.51 122.03 2eej h ILE 75 Ca 0.12 -1.42 -0.12 0.00 1.00 0.00 0.00 64.86 64.45 2eej h ILE 75 Cb 0.23 2.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 2eej h ILE 75 CO -0.00 0.37 -0.16 1.56 0.00 0.00 0.00 178.15 179.92 2eej h GLN 76 N -0.53 0.95 0.00 2.37 1.08 -0.76 -2.78 115.11 115.43 2eej h GLN 76 Ca -0.00 -0.37 -0.07 0.00 -1.45 0.00 0.00 58.65 56.76 2eej h GLN 76 Cb 0.63 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 2eej h GLN 76 CO 0.01 1.03 -0.33 1.03 -0.95 0.00 0.00 178.83 179.61 2eej h SER 77 N 0.83 0.00 -0.49 1.46 0.87 -0.38 -2.91 113.55 112.94 2eej h SER 77 Ca 0.12 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.75 2eej h SER 77 Cb 0.71 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.64 2eej h SER 77 CO 0.05 0.33 0.33 0.28 -0.53 0.00 0.00 176.83 177.30 2eej h SER 78 N 0.00 0.33 0.00 6.23 0.02 -0.94 -3.48 113.55 115.70 2eej h SER 78 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2eej h SER 78 Cb 0.77 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.24 2eej h SER 78 CO 0.04 0.21 0.00 0.61 -1.14 0.00 0.00 176.83 176.55 2eej n GLY 79 N -1.52 0.55 0.13 -3.77 0.00 -1.10 -4.60 105.19 94.87 2eej n GLY 79 Ca 0.07 -1.53 -0.22 0.00 0.00 0.00 0.00 46.02 44.35 2eej n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eej n LYS 80 N 0.00 0.69 -3.68 1.61 5.02 -1.26 -4.86 118.16 115.67 2eej n LYS 80 Ca 0.00 0.38 -0.35 0.00 -2.02 0.00 0.00 58.31 56.31 2eej n LYS 80 Cb 0.00 -1.72 -0.08 0.00 -0.02 0.00 0.00 35.03 33.21 2eej n LYS 80 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2eej s ASN 81 N -6.99 6.28 -0.20 4.39 2.20 -1.26 -1.26 114.94 118.11 2eej s ASN 81 Ca -0.25 0.32 -0.12 0.00 -0.94 0.00 0.00 52.86 51.87 2eej s ASN 81 Cb 0.06 -2.11 0.06 0.00 -2.00 0.00 0.00 41.25 37.26 2eej s ASN 81 CO 0.70 0.17 0.49 0.54 -2.94 0.00 0.00 177.10 176.06 2eej s VAL 82 N 0.33 -0.02 -0.36 3.54 0.11 -1.13 -4.90 120.40 117.97 2eej s VAL 82 Ca 0.11 0.06 -0.21 0.00 -2.93 0.00 0.00 61.98 59.01 2eej s VAL 82 Cb -0.12 -0.71 0.01 0.00 -1.53 0.00 0.00 36.38 34.03 2eej s VAL 82 CO -0.00 0.02 0.66 -0.89 -3.33 0.00 0.00 175.10 171.56 2eej s THR 83 N 1.31 4.86 -0.20 5.04 2.01 -1.26 -2.13 115.64 125.27 2eej s THR 83 Ca -0.08 0.59 -0.03 0.00 0.31 0.00 0.00 61.69 62.48 2eej s THR 83 Cb -0.07 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 2eej s THR 83 CO -0.13 -0.36 -0.06 -0.76 -0.69 0.00 0.00 174.62 172.63 2eej s LEU 84 N 2.78 2.88 -0.18 4.42 2.01 -0.82 -2.24 118.68 127.52 2eej s LEU 84 Ca 0.25 -0.36 -0.22 0.00 0.01 0.00 0.00 54.13 53.81 2eej s LEU 84 Cb -0.14 -1.71 -0.02 0.00 0.01 0.00 0.00 46.19 44.32 2eej s LEU 84 CO 0.15 0.03 0.70 -0.22 1.01 0.00 0.00 176.35 178.03 2eej s LEU 85 N 1.17 4.16 0.13 1.79 0.20 -1.21 -3.26 118.68 121.67 2eej s LEU 85 Ca 0.02 0.97 0.07 0.00 0.69 0.00 0.00 54.13 55.88 2eej s LEU 85 Cb -0.14 -3.01 -0.04 0.00 -0.43 0.00 0.00 46.19 42.56 2eej s LEU 85 CO -0.01 -0.30 -0.16 0.68 -0.29 0.00 0.00 176.35 176.26 2eej s VAL 86 N 1.92 1.52 -0.19 1.68 -7.23 -1.17 -0.90 120.40 116.03 2eej s VAL 86 Ca 0.32 -1.75 -0.04 0.00 -1.81 0.00 0.00 61.98 58.71 2eej s VAL 86 Cb -0.16 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.14 2eej s VAL 86 CO 0.11 -0.34 -0.04 0.00 -0.31 0.00 0.00 175.10 174.52 2eej s GLY 88 N 0.91 2.43 -0.89 0.00 0.00 -1.26 -4.57 107.32 103.93 2eej s GLY 88 Ca -0.00 0.89 -0.01 0.00 0.00 0.00 0.00 44.72 45.60 2eej s GLY 88 CO 0.01 1.29 0.77 1.17 0.00 0.00 0.00 173.10 176.35 2eej n LYS 89 N -2.44 2.60 -3.94 2.90 4.81 -1.26 -5.02 118.16 115.81 2eej n LYS 89 Ca 0.13 -4.48 -0.10 0.00 -0.87 0.00 0.00 58.31 52.99 2eej n LYS 89 Cb 0.50 -2.40 -0.12 0.00 0.02 0.00 0.00 35.03 33.03 2eej n LYS 89 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2eej s LYS 90 N -1.42 0.24 0.22 1.64 2.47 -1.26 -5.17 119.74 116.47 2eej s LYS 90 Ca 0.28 -0.41 0.03 0.00 -1.56 0.00 0.00 55.97 54.31 2eej s LYS 90 Cb -0.07 0.09 -0.05 0.00 -1.46 0.00 0.00 37.83 36.34 2eej s LYS 90 CO -0.13 -0.04 0.00 -1.12 0.16 0.00 0.00 175.35 174.22 2eej s SER 91 N -1.03 1.69 0.00 1.43 0.01 -1.26 -5.12 113.70 109.42 2eej s SER 91 Ca -0.11 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 55.93 2eej s SER 91 Cb -0.07 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.20 2eej s SER 91 CO -0.00 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.73 2eej n GLY 92 N -0.39 2.28 3.77 3.44 0.00 -1.26 -5.05 105.19 107.98 2eej n GLY 92 Ca -0.05 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 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 -3.92 2.31 -0.14 1.61 0.04 -1.26 -5.02 135.00 128.62 2eej s PRO 93 Ca 0.00 1.19 -0.10 0.00 0.04 0.00 0.00 61.00 62.13 2eej s PRO 93 Cb 0.00 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 2eej s PRO 93 CO 0.00 -1.61 -0.06 0.66 0.04 0.00 0.00 177.00 176.04 2eej h SER 94 N -1.01 0.00 -3.71 6.66 4.64 -2.05 -3.48 113.55 114.59 2eej h SER 94 Ca -0.44 -0.11 -0.19 0.00 -0.47 0.00 0.00 61.79 60.58 2eej h SER 94 Cb 1.23 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.05 2eej h SER 94 CO 0.52 0.84 -0.50 -0.44 -0.87 0.00 0.00 176.83 176.38 2eej s SER 95 N -5.90 -0.20 0.00 4.97 0.01 -1.26 -5.32 113.70 106.00 2eej s SER 95 Ca -0.15 0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.52 2eej s SER 95 Cb 0.02 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.63 2eej s SER 95 CO 0.26 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.43