#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jke s ILE 2 N 0.00 2.20 -0.23 1.12 1.01 0.49 -1.59 121.20 124.20 1jke s ILE 2 Ca 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 60.65 59.50 1jke s ILE 2 Cb 0.00 -1.80 0.07 0.00 0.01 0.00 0.00 42.46 40.74 1jke s ILE 2 CO 0.00 0.53 0.02 0.00 0.00 0.00 0.00 174.94 175.48 1jke s ALA 3 N -0.68 1.45 -0.43 9.38 0.00 0.45 -0.51 121.76 131.42 1jke s ALA 3 Ca 0.11 -1.11 -0.19 0.00 0.00 0.00 0.00 51.96 50.76 1jke s ALA 3 Cb -0.10 -1.35 0.02 0.00 0.00 0.00 0.00 23.12 21.69 1jke s ALA 3 CO 0.00 -1.27 0.54 -1.17 0.00 0.00 0.00 175.76 173.86 1jke s LEU 4 N 1.64 4.70 -0.03 0.00 1.98 -0.31 -1.10 118.68 125.57 1jke s LEU 4 Ca -0.01 -0.53 0.01 0.00 -2.89 0.00 0.00 54.13 50.71 1jke s LEU 4 Cb -0.18 -2.55 -0.03 0.00 0.66 0.00 0.00 46.19 44.09 1jke s LEU 4 CO -0.10 -0.69 -0.04 0.27 -1.89 0.00 0.00 176.35 173.90 1jke s ILE 5 N 2.48 3.90 -0.06 6.68 -4.36 0.09 -1.21 121.20 128.72 1jke s ILE 5 Ca 0.17 -0.57 0.03 0.00 -0.26 0.00 0.00 60.65 60.02 1jke s ILE 5 Cb -0.16 -2.67 0.01 0.00 1.25 0.00 0.00 42.46 40.88 1jke s ILE 5 CO 0.16 0.48 -0.15 -1.10 0.24 0.00 0.00 174.94 174.57 1jke s GLN 6 N -1.22 1.86 -0.09 0.37 -0.21 -0.53 -0.95 119.66 118.89 1jke s GLN 6 Ca 0.16 -0.52 -0.30 0.00 0.02 0.00 0.00 55.36 54.72 1jke s GLN 6 Cb -0.11 -1.53 -0.02 0.00 1.00 0.00 0.00 33.01 32.35 1jke s GLN 6 CO 0.06 0.11 1.06 0.50 -2.12 0.00 0.00 175.29 174.90 1jke s ARG 7 N 0.43 4.40 0.20 2.91 3.52 -0.50 -1.30 118.95 128.61 1jke s ARG 7 Ca -0.12 1.47 0.08 0.00 -0.13 0.00 0.00 55.73 57.03 1jke s ARG 7 Cb -0.15 -3.55 -0.05 0.00 -1.56 0.00 0.00 34.95 29.65 1jke s ARG 7 CO 0.04 -0.35 -0.14 0.14 -0.81 0.00 0.00 175.30 174.17 1jke s VAL 8 N 2.07 1.72 -0.32 7.11 -7.23 0.00 -0.39 120.40 123.36 1jke s VAL 8 Ca 0.51 -2.19 0.22 0.00 -1.81 0.00 0.00 61.98 58.70 1jke s VAL 8 Cb -0.20 -2.03 -0.24 0.00 0.56 0.00 0.00 36.38 34.47 1jke s VAL 8 CO 0.19 -0.59 0.72 0.35 -0.31 0.00 0.00 175.10 175.45 1jke n THR 9 N -0.35 0.10 -3.60 5.32 -2.24 -0.63 -1.51 114.28 111.37 1jke n THR 9 Ca -0.08 -0.38 -0.06 0.00 -2.27 0.00 0.00 64.05 61.26 1jke n THR 9 Cb 0.60 0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.96 1jke n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jke s ARG 10 N -3.36 0.35 -0.10 -0.78 1.70 -1.19 -2.24 118.95 113.33 1jke s ARG 10 Ca -0.02 0.00 -0.29 0.00 -0.47 0.00 0.00 55.73 54.95 1jke s ARG 10 Cb 0.14 0.16 0.07 0.00 -0.57 0.00 0.00 34.95 34.75 1jke s ARG 10 CO 0.87 -0.13 0.68 0.00 -1.08 0.00 0.00 175.30 175.64 1jke s ALA 11 N -1.56 -1.75 -0.09 7.88 0.00 -0.89 -1.48 121.76 123.87 1jke s ALA 11 Ca 0.05 1.47 -0.16 0.00 0.00 0.00 0.00 51.96 53.32 1jke s ALA 11 Cb -0.01 -0.29 0.04 0.00 0.00 0.00 0.00 23.12 22.86 1jke s ALA 11 CO -0.04 -0.36 0.40 -1.54 0.00 0.00 0.00 175.76 174.22 1jke s SER 12 N -0.80 -0.36 -0.11 0.00 1.04 0.98 -0.83 113.70 113.62 1jke s SER 12 Ca -0.08 0.53 0.02 0.00 0.48 0.00 0.00 55.95 56.90 1jke s SER 12 Cb -0.01 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.71 1jke s SER 12 CO 0.08 -0.31 -0.19 -0.69 0.98 0.00 0.00 173.24 173.10 1jke s VAL 13 N -0.53 2.49 0.08 5.02 1.01 -0.15 -0.31 120.40 128.01 1jke s VAL 13 Ca -0.06 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.13 1jke s VAL 13 Cb -0.04 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1jke s VAL 13 CO 0.03 0.55 -0.23 0.42 0.00 0.00 0.00 175.10 175.87 1jke s THR 14 N 0.31 1.86 -0.23 3.92 -4.23 -0.46 -0.82 115.64 115.98 1jke s THR 14 Ca -0.15 -1.43 -0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1jke s THR 14 Cb -0.17 -1.64 0.07 0.00 1.34 0.00 0.00 72.50 72.10 1jke s THR 14 CO 0.07 0.13 0.00 -0.69 -0.54 0.00 0.00 174.62 173.59 1jke s VAL 15 N -0.96 1.09 -1.92 2.29 1.01 -0.18 -1.48 120.40 120.26 1jke s VAL 15 Ca 0.09 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1jke s VAL 15 Cb -0.10 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1jke s VAL 15 CO 0.03 -0.24 0.00 -0.62 0.00 0.00 0.00 175.10 174.27 1jke n GLU 16 N 4.82 -1.40 0.00 2.72 1.02 -1.26 -2.06 120.64 124.47 1jke n GLU 16 Ca -0.09 1.10 0.00 0.00 -0.02 0.00 0.00 57.16 58.15 1jke n GLU 16 Cb 0.45 -5.50 0.00 0.00 -0.02 0.00 0.00 31.44 26.37 1jke n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jke n GLY 17 N -0.74 2.99 3.73 0.62 0.00 -1.26 -5.06 105.19 105.46 1jke n GLY 17 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 1jke n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jke s GLU 18 N -0.53 4.52 -0.12 1.61 0.41 -0.88 -4.97 118.70 118.74 1jke s GLU 18 Ca 0.00 1.14 -0.29 0.00 -0.41 0.00 0.00 54.97 55.40 1jke s GLU 18 Cb 0.00 -3.41 -0.02 0.00 -1.78 0.00 0.00 34.13 28.93 1jke s GLU 18 CO 0.00 0.15 1.15 0.08 -0.49 0.00 0.00 175.26 176.15 1jke s VAL 19 N 0.39 4.44 -0.12 2.63 1.01 -1.26 -1.01 120.40 126.48 1jke s VAL 19 Ca 0.42 1.74 0.20 0.00 0.00 0.00 0.00 61.98 64.34 1jke s VAL 19 Cb -0.20 -4.12 -0.24 0.00 0.00 0.00 0.00 36.38 31.82 1jke s VAL 19 CO 0.24 -0.07 0.50 0.35 0.00 0.00 0.00 175.10 176.12 1jke n THR 20 N 4.92 0.72 -3.58 3.92 -2.24 0.00 -4.98 114.28 113.04 1jke n THR 20 Ca 0.11 -0.65 -0.12 0.00 -2.27 0.00 0.00 64.05 61.12 1jke n THR 20 Cb 0.46 -0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.30 1jke n THR 20 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1jke s GLY 21 N -4.84 -0.35 -0.23 3.38 0.00 -1.15 -4.51 107.32 99.62 1jke s GLY 21 Ca -0.07 2.02 -0.22 0.00 0.00 0.00 0.00 44.72 46.44 1jke s GLY 21 CO 0.85 1.30 0.64 1.85 0.00 0.00 0.00 173.10 177.74 1jke s GLU 22 N -0.62 0.76 0.16 2.90 2.12 -1.26 -0.98 118.70 121.78 1jke s GLU 22 Ca -0.03 0.85 0.00 0.00 0.36 0.00 0.00 54.97 56.16 1jke s GLU 22 Cb -0.02 0.37 -0.04 0.00 0.26 0.00 0.00 34.13 34.70 1jke s GLU 22 CO 0.02 -0.10 0.05 0.96 -0.54 0.00 0.00 175.26 175.65 1jke s ILE 23 N 0.26 0.32 0.00 -3.70 -4.36 -0.01 -4.92 121.20 108.79 1jke s ILE 23 Ca -0.01 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 1jke s ILE 23 Cb -0.04 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.49 1jke s ILE 23 CO 0.01 -0.37 0.00 0.61 0.24 0.00 0.00 174.94 175.43 1jke n GLY 24 N -0.20 0.70 3.76 6.27 0.00 -1.26 -2.10 105.19 112.36 1jke n GLY 24 Ca -0.04 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 1jke n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jke s ALA 25 N -3.17 2.98 0.00 4.61 0.00 -0.95 -3.15 121.76 122.07 1jke s ALA 25 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.22 1jke s ALA 25 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1jke s ALA 25 CO 0.00 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.05 1jke n GLY 26 N 0.64 -0.09 3.12 0.00 0.00 -0.57 -1.41 105.19 106.87 1jke n GLY 26 Ca 0.08 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 1jke n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jke s LEU 27 N 0.00 1.96 -0.27 0.99 1.43 -0.32 -0.82 118.68 121.65 1jke s LEU 27 Ca 0.00 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.68 1jke s LEU 27 Cb 0.00 -0.84 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 1jke s LEU 27 CO 0.00 0.16 0.24 -0.22 0.23 0.00 0.00 176.35 176.77 1jke s LEU 28 N -0.16 4.03 -0.31 1.79 2.96 -0.42 -1.16 118.68 125.42 1jke s LEU 28 Ca 0.01 0.09 -0.05 0.00 -0.22 0.00 0.00 54.13 53.97 1jke s LEU 28 Cb -0.08 -2.21 0.03 0.00 0.50 0.00 0.00 46.19 44.43 1jke s LEU 28 CO 0.00 -0.08 0.06 -0.69 -1.32 0.00 0.00 176.35 174.32 1jke s VAL 29 N 1.82 3.52 -0.26 1.68 1.01 0.79 -1.45 120.40 127.50 1jke s VAL 29 Ca 0.09 -1.10 -0.17 0.00 0.00 0.00 0.00 61.98 60.81 1jke s VAL 29 Cb -0.16 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1jke s VAL 29 CO 0.10 -0.07 0.48 -0.76 0.00 0.00 0.00 175.10 174.86 1jke s LEU 30 N 1.38 4.05 -0.22 3.92 1.43 -0.35 -0.98 118.68 127.90 1jke s LEU 30 Ca -0.02 0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 53.47 1jke s LEU 30 Cb -0.19 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 1jke s LEU 30 CO 0.01 -0.26 0.10 -0.22 0.23 0.00 0.00 176.35 176.21 1jke s LEU 31 N 2.24 3.82 -0.28 1.79 2.96 -0.15 -1.16 118.68 127.90 1jke s LEU 31 Ca 0.20 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1jke s LEU 31 Cb -0.16 -2.01 0.05 0.00 0.50 0.00 0.00 46.19 44.57 1jke s LEU 31 CO 0.09 0.07 -0.04 -0.83 -1.32 0.00 0.00 176.35 174.33 1jke s GLY 32 N 0.99 1.71 -0.07 7.98 0.00 0.33 -0.42 107.32 117.84 1jke s GLY 32 Ca 0.05 -1.71 -0.22 0.00 0.00 0.00 0.00 44.72 42.84 1jke s GLY 32 CO 0.03 0.64 0.66 0.14 0.00 0.00 0.00 173.10 174.57 1jke s VAL 33 N 1.23 5.06 0.26 1.40 1.01 -1.26 -0.38 120.40 127.72 1jke s VAL 33 Ca -0.05 1.35 0.06 0.00 0.00 0.00 0.00 61.98 63.34 1jke s VAL 33 Cb -0.19 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1jke s VAL 33 CO -0.03 0.28 0.35 -1.61 0.00 0.00 0.00 175.10 174.09 1jke s GLU 34 N 0.69 3.26 0.24 2.72 2.02 -1.26 -2.16 118.70 124.20 1jke s GLU 34 Ca 0.35 -0.88 -0.15 0.00 0.02 0.00 0.00 54.97 54.31 1jke s GLU 34 Cb -0.17 -2.80 0.30 0.00 0.10 0.00 0.00 34.13 31.55 1jke s GLU 34 CO 0.17 0.34 1.56 -0.22 0.02 0.00 0.00 175.26 177.13 1jke h LYS 35 N 1.18 -0.01 -0.67 1.61 3.64 -0.58 -2.06 116.57 119.69 1jke h LYS 35 Ca -0.50 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 58.73 1jke h LYS 35 Cb 1.24 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.97 1jke h LYS 35 CO 0.59 -0.00 0.19 -0.25 -2.27 0.00 0.00 179.45 177.71 1jke n ASP 36 N -5.51 4.93 -4.75 4.20 8.00 -1.26 -4.75 116.55 117.40 1jke n ASP 36 Ca 0.12 -3.17 -0.30 0.00 0.71 0.00 0.00 54.79 52.14 1jke n ASP 36 Cb 0.43 -0.72 0.11 0.00 -0.02 0.00 0.00 41.12 40.92 1jke n ASP 36 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1jke s ASP 37 N -1.09 4.10 0.35 -2.24 1.01 -0.77 -5.05 116.67 112.97 1jke s ASP 37 Ca 0.54 1.65 -0.04 0.00 0.71 0.00 0.00 52.55 55.41 1jke s ASP 37 Cb 0.43 -2.35 0.02 0.00 1.01 0.00 0.00 42.92 42.03 1jke s ASP 37 CO 0.13 -2.27 0.52 -0.90 0.21 0.00 0.00 175.17 172.87 1jke n ASP 38 N -3.66 -1.47 0.12 0.27 5.68 -1.26 -5.03 116.55 111.20 1jke n ASP 38 Ca 0.08 -2.78 0.02 0.00 -0.50 0.00 0.00 54.79 51.61 1jke n ASP 38 Cb 0.54 2.66 0.38 0.00 -1.14 0.00 0.00 41.12 43.57 1jke n ASP 38 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1jke h GLU 39 N 0.00 0.24 -0.47 0.11 5.08 -1.99 -2.23 114.58 115.32 1jke h GLU 39 Ca -0.27 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1jke h GLU 39 Cb 1.15 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1jke h GLU 39 CO 0.37 0.38 0.24 0.37 -1.00 0.00 0.00 179.01 179.37 1jke h GLN 40 N 0.23 0.67 -0.49 2.33 -0.00 -1.99 0.78 115.11 116.64 1jke h GLN 40 Ca 0.05 -0.09 -0.08 0.00 -0.00 0.00 0.00 58.65 58.53 1jke h GLN 40 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 27.72 1jke h GLN 40 CO 0.02 0.55 -0.01 0.87 0.00 0.00 0.00 178.83 180.26 1jke h LYS 41 N 0.62 0.82 -0.61 1.69 1.57 -1.88 -1.36 116.57 117.42 1jke h LYS 41 Ca 0.16 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1jke h LYS 41 Cb 0.09 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1jke h LYS 41 CO -0.02 0.83 0.13 0.00 -0.57 0.00 0.00 179.45 179.82 1jke h ALA 42 N 1.22 0.80 -0.25 3.86 0.00 -0.90 0.27 119.26 124.27 1jke h ALA 42 Ca 0.14 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1jke h ALA 42 Cb 0.48 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1jke h ALA 42 CO 0.02 0.53 0.12 -0.91 0.00 0.00 0.00 179.25 179.01 1jke h ASN 43 N 0.90 0.17 -0.43 0.00 -0.26 -0.45 -1.04 115.58 114.46 1jke h ASN 43 Ca 0.19 0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.89 1jke h ASN 43 Cb 0.38 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.61 1jke h ASN 43 CO 0.01 0.13 0.08 -0.09 -1.06 0.00 0.00 177.43 176.50 1jke h ARG 44 N 0.25 0.71 -0.68 0.81 9.65 -0.95 -2.28 114.38 121.89 1jke h ARG 44 Ca 0.10 -0.19 -0.04 0.00 -1.10 0.00 0.00 59.98 58.75 1jke h ARG 44 Cb 0.04 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.50 1jke h ARG 44 CO -0.08 0.74 0.26 1.25 2.80 0.00 0.00 179.97 184.93 1jke h LEU 45 N 0.57 0.96 -0.53 3.80 5.85 -0.79 -1.92 115.31 123.25 1jke h LEU 45 Ca 0.13 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.70 1jke h LEU 45 Cb 0.36 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1jke h LEU 45 CO 0.01 0.88 0.31 0.00 -0.34 0.00 0.00 178.44 179.30 1jke h GLU 47 N 0.61 0.96 -0.45 0.00 5.08 -1.08 -0.97 114.58 118.75 1jke h GLU 47 Ca 0.22 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1jke h GLU 47 Cb 0.04 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1jke h GLU 47 CO -0.11 0.70 -0.01 0.00 -1.00 0.00 0.00 179.01 178.59 1jke h ARG 48 N 0.96 0.80 -0.04 2.33 3.08 -0.79 -0.93 114.38 119.79 1jke h ARG 48 Ca 0.25 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1jke h ARG 48 Cb -0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1jke h ARG 48 CO -0.04 0.87 0.02 0.28 -1.07 0.00 0.00 179.97 180.02 1jke h VAL 49 N 0.65 1.13 0.00 2.04 2.07 -0.71 -0.13 116.25 121.30 1jke h VAL 49 Ca 0.13 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1jke h VAL 49 Cb 0.51 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1jke h VAL 49 CO 0.03 0.11 0.00 -0.07 0.02 0.00 0.00 177.57 177.65 1jke h LEU 50 N -0.10 0.00 -0.54 2.57 3.38 -1.16 -3.14 115.31 116.32 1jke h LEU 50 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jke h LEU 50 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1jke h LEU 50 CO -0.00 0.00 -0.58 0.61 0.09 0.00 0.00 178.44 178.56 1jke n GLY 51 N 0.25 -0.28 3.67 0.83 0.00 -0.36 -4.01 105.19 105.30 1jke n GLY 51 Ca 0.02 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1jke n GLY 51 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jke s TYR 52 N -2.35 1.76 -1.26 1.61 5.04 -0.08 -4.68 117.35 117.40 1jke s TYR 52 Ca 0.12 -0.09 -0.17 0.00 -2.44 0.00 0.00 57.07 54.49 1jke s TYR 52 Cb 0.14 -4.09 0.10 0.00 0.35 0.00 0.00 41.96 38.46 1jke s TYR 52 CO 0.58 -4.70 1.63 1.03 -1.34 0.00 0.00 175.55 172.74 1jke s ARG 53 N 3.88 4.01 -0.02 4.97 0.52 -1.26 -4.12 118.95 126.92 1jke s ARG 53 Ca 0.81 -2.18 0.03 0.00 -0.52 0.00 0.00 55.73 53.87 1jke s ARG 53 Cb -0.40 -5.37 0.05 0.00 0.52 0.00 0.00 34.95 29.75 1jke s ARG 53 CO 0.36 -2.09 0.95 0.44 0.02 0.00 0.00 175.30 174.97 1jke n ILE 54 N 5.80 0.95 -4.12 1.52 -5.35 -0.73 -4.08 119.36 113.34 1jke n ILE 54 Ca 0.44 -1.01 -0.35 0.00 -0.27 0.00 0.00 62.75 61.56 1jke n ILE 54 Cb 0.45 0.45 -0.07 0.00 -1.74 0.00 0.00 39.64 38.73 1jke n ILE 54 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1jke s PHE 55 N -1.12 3.34 0.44 4.28 0.40 -0.09 -4.87 117.98 120.36 1jke s PHE 55 Ca 0.06 0.30 -0.25 0.00 -0.60 0.00 0.00 56.93 56.43 1jke s PHE 55 Cb 0.05 -1.81 -0.08 0.00 0.51 0.00 0.00 43.02 41.69 1jke s PHE 55 CO 0.01 0.58 1.33 -1.12 0.70 0.00 0.00 175.22 176.71 1jke s SER 56 N -1.28 6.04 0.00 1.36 0.01 -1.26 -1.68 113.70 116.89 1jke s SER 56 Ca 0.18 2.70 0.00 0.00 1.31 0.00 0.00 55.95 60.13 1jke s SER 56 Cb -0.12 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1jke s SER 56 CO 0.08 -1.04 0.00 -0.90 0.41 0.00 0.00 173.24 171.79 1jke n ASP 57 N -0.19 0.00 0.02 2.44 5.68 -0.12 -4.76 116.55 119.62 1jke n ASP 57 Ca 0.05 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.29 1jke n ASP 57 Cb 0.44 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.56 1jke n ASP 57 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jke h ALA 58 N -1.23 0.94 -0.05 2.12 0.00 -1.97 -2.73 119.26 116.35 1jke h ALA 58 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1jke h ALA 58 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jke h ALA 58 CO 0.00 0.62 0.00 0.39 0.00 0.00 0.00 179.25 180.26 1jke n GLU 59 N -4.04 1.13 -1.34 0.00 1.02 -1.26 -4.88 120.64 111.27 1jke n GLU 59 Ca -0.01 -0.20 -0.09 0.00 -0.02 0.00 0.00 57.16 56.84 1jke n GLU 59 Cb 0.49 -1.13 -0.03 0.00 -0.02 0.00 0.00 31.44 30.75 1jke n GLU 59 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jke n GLY 60 N 0.68 0.94 3.62 0.62 0.00 -1.03 -5.03 105.19 104.98 1jke n GLY 60 Ca 0.06 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 1jke n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jke s LYS 61 N -2.89 2.24 -0.43 1.61 1.02 -1.26 -4.77 119.74 115.26 1jke s LYS 61 Ca 0.00 -1.13 -0.28 0.00 0.02 0.00 0.00 55.97 54.58 1jke s LYS 61 Cb 0.00 -2.29 -0.01 0.00 -0.52 0.00 0.00 37.83 35.01 1jke s LYS 61 CO 0.00 0.46 1.75 -1.64 -0.92 0.00 0.00 175.35 175.00 1jke s MET 62 N -2.74 3.15 0.00 1.68 -1.94 -1.26 -0.95 119.30 117.25 1jke s MET 62 Ca 0.25 1.08 0.00 0.00 -1.71 0.00 0.00 55.69 55.32 1jke s MET 62 Cb -0.10 -4.23 0.00 0.00 2.01 0.00 0.00 34.83 32.52 1jke s MET 62 CO 0.16 -2.08 0.00 0.09 -0.01 0.00 0.00 175.02 173.18 1jke n ASN 63 N 10.80 0.00 -4.49 3.03 3.02 -0.88 -4.83 115.26 121.91 1jke n ASN 63 Ca 0.21 -0.49 -0.30 0.00 -0.03 0.00 0.00 54.58 53.97 1jke n ASN 63 Cb 0.49 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.54 1jke n ASN 63 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jke s LEU 64 N 0.00 2.73 0.63 3.41 1.43 -0.68 -4.89 118.68 121.31 1jke s LEU 64 Ca 0.00 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1jke s LEU 64 Cb 0.00 -1.58 0.08 0.00 0.03 0.00 0.00 46.19 44.72 1jke s LEU 64 CO 0.00 0.21 0.88 0.54 0.23 0.00 0.00 176.35 178.21 1jke s ASN 65 N -1.88 4.84 0.41 2.29 2.20 -1.26 -0.92 114.94 120.63 1jke s ASN 65 Ca 0.17 -0.19 0.10 0.00 -0.94 0.00 0.00 52.86 52.01 1jke s ASN 65 Cb -0.11 -0.45 0.92 0.00 -2.00 0.00 0.00 41.25 39.62 1jke s ASN 65 CO 0.09 -1.49 1.99 1.62 -2.94 0.00 0.00 177.10 176.37 1jke h VAL 66 N -0.21 0.97 -0.17 3.54 3.04 -1.72 -1.27 116.25 120.42 1jke h VAL 66 Ca -0.39 -0.18 -0.11 0.00 -1.01 0.00 0.00 66.70 65.01 1jke h VAL 66 Cb 1.28 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 1jke h VAL 66 CO 0.47 0.10 -0.33 1.56 -1.01 0.00 0.00 177.57 178.35 1jke h GLN 67 N 0.52 0.52 -0.33 4.17 4.20 -1.85 0.71 115.11 123.06 1jke h GLN 67 Ca 0.26 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1jke h GLN 67 Cb 0.34 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1jke h GLN 67 CO -0.07 0.94 0.07 1.96 -0.67 0.00 0.00 178.83 181.06 1jke h GLN 68 N 0.16 0.48 0.00 1.46 4.20 -1.79 -1.10 115.11 118.52 1jke h GLN 68 Ca 0.01 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1jke h GLN 68 Cb 0.93 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1jke h GLN 68 CO 0.07 0.45 0.00 0.00 -0.67 0.00 0.00 178.83 178.68 1jke n ALA 69 N -2.48 2.35 -1.85 3.87 0.00 -0.53 -4.89 120.51 116.99 1jke n ALA 69 Ca 0.02 -0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 1jke n ALA 69 Cb 0.18 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 1jke n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jke n GLY 70 N 0.99 0.41 3.98 0.00 0.00 -0.42 -5.02 105.19 105.14 1jke n GLY 70 Ca 0.13 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 1jke n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jke s GLY 71 N -2.68 1.76 0.44 -0.02 0.00 0.21 -5.00 107.32 102.03 1jke s GLY 71 Ca 0.00 -1.57 0.06 0.00 0.00 0.00 0.00 44.72 43.21 1jke s GLY 71 CO 0.00 -0.98 0.11 -0.56 0.00 0.00 0.00 173.10 171.66 1jke s SER 72 N -4.74 4.20 -0.04 1.64 0.01 -0.50 -4.72 113.70 109.54 1jke s SER 72 Ca 0.67 -1.30 0.02 0.00 1.31 0.00 0.00 55.95 56.66 1jke s SER 72 Cb -0.05 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 65.98 1jke s SER 72 CO 0.46 -0.61 -0.10 -0.69 0.41 0.00 0.00 173.24 172.71 1jke s VAL 73 N -2.70 0.91 -0.24 3.43 1.01 -0.13 -1.17 120.40 121.51 1jke s VAL 73 Ca 0.32 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 1jke s VAL 73 Cb 0.05 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.63 1jke s VAL 73 CO 0.17 0.29 -0.09 -0.22 0.00 0.00 0.00 175.10 175.25 1jke s LEU 74 N 0.48 3.06 -0.21 3.92 2.96 -0.31 -0.15 118.68 128.43 1jke s LEU 74 Ca -0.09 -0.93 -0.09 0.00 -0.22 0.00 0.00 54.13 52.80 1jke s LEU 74 Cb -0.12 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1jke s LEU 74 CO 0.02 -0.12 0.10 -0.69 -1.32 0.00 0.00 176.35 174.34 1jke s VAL 75 N 1.28 4.96 -0.06 1.68 1.01 0.24 -0.15 120.40 129.36 1jke s VAL 75 Ca -0.01 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1jke s VAL 75 Cb -0.17 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 32.95 1jke s VAL 75 CO -0.06 0.41 -0.10 -0.69 0.00 0.00 0.00 175.10 174.65 1jke s VAL 76 N 0.74 0.99 0.18 2.92 1.01 -0.15 -1.95 120.40 124.14 1jke s VAL 76 Ca 0.05 -0.39 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 1jke s VAL 76 Cb -0.13 -0.93 -0.10 0.00 0.00 0.00 0.00 36.38 35.22 1jke s VAL 76 CO 0.02 0.32 1.55 -0.94 0.00 0.00 0.00 175.10 176.05 1jke s SER 77 N 0.75 6.59 -0.32 3.32 1.04 -1.26 -0.98 113.70 122.84 1jke s SER 77 Ca -0.13 2.63 -0.01 0.00 0.48 0.00 0.00 55.95 58.92 1jke s SER 77 Cb -0.15 -2.60 0.13 0.00 0.10 0.00 0.00 66.02 63.49 1jke s SER 77 CO 0.03 -0.81 0.21 -1.58 0.98 0.00 0.00 173.24 172.07 1jke s GLN 78 N 0.83 0.38 0.49 4.02 2.00 0.44 -4.80 119.66 123.02 1jke s GLN 78 Ca 0.68 -0.80 0.27 0.00 -2.00 0.00 0.00 55.36 53.51 1jke s GLN 78 Cb -0.44 -1.09 1.21 0.00 0.80 0.00 0.00 33.01 33.50 1jke s GLN 78 CO 0.34 -1.11 1.95 0.27 -0.50 0.00 0.00 175.29 176.24 1jke h PHE 79 N 7.74 0.00 0.00 1.67 -5.15 -1.95 -3.18 116.94 116.07 1jke h PHE 79 Ca -0.07 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.69 1jke h PHE 79 Cb 1.01 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.18 1jke h PHE 79 CO 0.35 0.16 -0.06 1.79 -2.00 0.00 0.00 178.31 178.55 1jke h THR 80 N 0.00 0.21 -0.02 0.88 1.35 -1.95 -3.05 112.91 110.33 1jke h THR 80 Ca -0.00 -0.48 -0.06 0.00 -0.55 0.00 0.00 66.41 65.31 1jke h THR 80 Cb 0.54 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 1jke h THR 80 CO 0.02 0.06 -0.27 -0.07 -0.25 0.00 0.00 175.52 175.01 1jke h LEU 81 N 0.00 0.03 -0.53 3.87 3.38 -1.93 -2.58 115.31 117.55 1jke h LEU 81 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jke h LEU 81 Cb 0.39 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1jke h LEU 81 CO 0.01 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.84 1jke n ALA 82 N -2.49 2.55 -1.43 1.53 0.00 -1.15 -4.92 120.51 114.60 1jke n ALA 82 Ca -0.02 -0.30 -0.34 0.00 0.00 0.00 0.00 53.44 52.78 1jke n ALA 82 Cb 0.33 -1.17 0.07 0.00 0.00 0.00 0.00 19.45 18.68 1jke n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jke s ALA 83 N -1.89 2.30 -0.37 0.00 0.00 -0.98 -4.33 121.76 116.50 1jke s ALA 83 Ca 0.27 0.70 -0.17 0.00 0.00 0.00 0.00 51.96 52.76 1jke s ALA 83 Cb 0.14 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1jke s ALA 83 CO 0.21 -1.56 0.47 0.34 0.00 0.00 0.00 175.76 175.22 1jke s ASP 84 N -2.32 6.25 -0.14 0.00 -1.08 0.06 -4.90 116.67 114.54 1jke s ASP 84 Ca 0.70 -0.25 0.18 0.00 -0.52 0.00 0.00 52.55 52.66 1jke s ASP 84 Cb -0.24 -2.24 0.35 0.00 -1.46 0.00 0.00 42.92 39.32 1jke s ASP 84 CO 0.43 -0.49 1.21 0.35 0.52 0.00 0.00 175.17 177.19 1jke n THR 85 N 5.42 1.99 0.04 1.71 -2.24 -1.26 -2.35 114.28 117.58 1jke n THR 85 Ca -0.06 -2.22 -0.12 0.00 -2.27 0.00 0.00 64.05 59.38 1jke n THR 85 Cb 0.49 -0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.42 1jke n THR 85 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1jke h GLU 86 N 0.42 -0.45 -4.15 -0.78 3.07 -1.96 -3.45 114.58 107.28 1jke h GLU 86 Ca 0.00 0.03 -0.18 0.00 -0.50 0.00 0.00 59.36 58.71 1jke h GLU 86 Cb 1.10 0.10 -0.20 0.00 -0.84 0.00 0.00 28.75 28.92 1jke h GLU 86 CO 0.05 -0.30 -0.70 1.03 -1.40 0.00 0.00 179.01 177.69 1jke s ARG 87 N -5.98 0.41 0.00 2.33 0.52 -1.26 -5.12 118.95 109.85 1jke s ARG 87 Ca -0.16 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.31 1jke s ARG 87 Cb 0.09 0.04 0.00 0.00 0.52 0.00 0.00 34.95 35.60 1jke s ARG 87 CO 0.65 -0.04 0.00 0.41 0.02 0.00 0.00 175.30 176.34 1jke n GLY 88 N 1.30 -0.33 1.04 -3.53 0.00 -1.26 -4.66 105.19 97.75 1jke n GLY 88 Ca -0.22 -1.74 0.10 0.00 0.00 0.00 0.00 46.02 44.17 1jke n GLY 88 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jke n MET 89 N -0.27 2.32 -3.99 1.61 2.81 -1.26 -4.81 117.12 113.54 1jke n MET 89 Ca 0.00 -2.03 -0.31 0.00 -1.81 0.00 0.00 57.70 53.55 1jke n MET 89 Cb 0.00 -1.47 -0.16 0.00 -0.71 0.00 0.00 33.22 30.89 1jke n MET 89 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1jke s ARG 90 N -1.38 1.92 0.65 0.03 0.52 -1.26 -5.12 118.95 114.31 1jke s ARG 90 Ca 0.38 -0.98 -0.17 0.00 -0.52 0.00 0.00 55.73 54.45 1jke s ARG 90 Cb 0.21 -2.55 -0.01 0.00 0.52 0.00 0.00 34.95 33.12 1jke s ARG 90 CO 0.28 -0.51 1.16 -1.25 0.02 0.00 0.00 175.30 175.01 1jke s PRO 91 N 1.35 2.74 0.08 3.54 0.04 -1.26 -4.98 135.00 136.51 1jke s PRO 91 Ca -0.04 1.64 0.10 0.00 0.04 0.00 0.00 61.00 62.73 1jke s PRO 91 Cb -0.18 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1jke s PRO 91 CO -0.07 -1.34 -0.26 -1.54 0.04 0.00 0.00 177.00 173.82 1jke s SER 92 N -2.06 3.18 -0.57 6.66 1.04 -0.99 -4.95 113.70 116.01 1jke s SER 92 Ca 0.73 -0.66 0.04 0.00 0.48 0.00 0.00 55.95 56.54 1jke s SER 92 Cb -0.26 -0.25 0.15 0.00 0.10 0.00 0.00 66.02 65.76 1jke s SER 92 CO 0.38 0.22 0.35 -0.36 0.98 0.00 0.00 173.24 174.81 1jke s PHE 93 N -0.92 2.95 -0.03 5.02 0.40 -1.26 -0.76 117.98 123.38 1jke s PHE 93 Ca 0.12 -3.04 0.04 0.00 -0.60 0.00 0.00 56.93 53.46 1jke s PHE 93 Cb -0.10 -2.46 -0.06 0.00 0.51 0.00 0.00 43.02 40.91 1jke s PHE 93 CO 0.04 -0.68 0.05 0.43 0.70 0.00 0.00 175.22 175.76 1jke n SER 94 N 2.72 3.90 -0.41 1.36 7.64 -1.26 -4.51 113.62 123.06 1jke n SER 94 Ca 0.13 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.12 1jke n SER 94 Cb 0.35 0.82 0.45 0.00 -1.01 0.00 0.00 64.21 64.82 1jke n SER 94 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1jke n LYS 95 N -1.99 1.55 -2.96 1.43 5.02 -1.26 -4.82 118.16 115.12 1jke n LYS 95 Ca -0.05 -0.82 -0.33 0.00 -2.02 0.00 0.00 58.31 55.09 1jke n LYS 95 Cb 0.47 -1.39 -0.07 0.00 -0.02 0.00 0.00 35.03 34.02 1jke n LYS 95 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1jke s GLY 96 N -1.64 2.36 0.67 0.72 0.00 -1.26 -0.08 107.32 108.09 1jke s GLY 96 Ca 0.33 0.23 -0.14 0.00 0.00 0.00 0.00 44.72 45.13 1jke s GLY 96 CO 0.27 0.47 1.10 0.00 0.00 0.00 0.00 173.10 174.94 1jke s ALA 97 N -2.09 2.48 1.01 3.20 0.00 -0.92 -3.78 121.76 121.66 1jke s ALA 97 Ca 0.58 0.48 -0.12 0.00 0.00 0.00 0.00 51.96 52.90 1jke s ALA 97 Cb -0.10 -3.30 0.19 0.00 0.00 0.00 0.00 23.12 19.92 1jke s ALA 97 CO 0.15 -1.28 1.08 -1.54 0.00 0.00 0.00 175.76 174.17 1jke s SER 98 N -2.75 2.37 0.15 0.00 1.04 -1.26 -4.62 113.70 108.63 1jke s SER 98 Ca 0.65 1.63 -0.16 0.00 0.48 0.00 0.00 55.95 58.55 1jke s SER 98 Cb -0.19 -2.28 0.06 0.00 0.10 0.00 0.00 66.02 63.71 1jke s SER 98 CO 0.43 -3.35 1.74 -0.65 0.98 0.00 0.00 173.24 172.40 1jke h PRO 99 N -2.04 0.23 -0.33 4.02 0.11 -1.99 0.27 132.00 132.28 1jke h PRO 99 Ca -0.53 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.60 1jke h PRO 99 Cb 1.30 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1jke h PRO 99 CO 0.50 0.15 0.11 -0.44 -0.21 0.00 0.00 178.00 178.12 1jke h ASP 100 N 0.24 0.12 -0.45 -2.05 5.19 -2.00 -1.76 116.42 115.72 1jke h ASP 100 Ca 0.16 0.03 -0.09 0.00 -0.62 0.00 0.00 57.03 56.52 1jke h ASP 100 Cb 0.15 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1jke h ASP 100 CO -0.18 0.11 -0.07 -0.09 -3.12 0.00 0.00 179.24 175.89 1jke h ARG 101 N 0.25 0.84 -0.26 3.56 2.43 -1.85 0.10 114.38 119.45 1jke h ARG 101 Ca 0.15 -0.30 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1jke h ARG 101 Cb 0.12 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1jke h ARG 101 CO -0.15 0.93 0.13 0.00 -1.51 0.00 0.00 179.97 179.37 1jke h ALA 102 N 0.88 0.31 -0.19 2.80 0.00 -0.75 -0.31 119.26 122.01 1jke h ALA 102 Ca 0.12 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1jke h ALA 102 Cb 0.60 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1jke h ALA 102 CO 0.04 -0.27 -0.10 1.49 0.00 0.00 0.00 179.25 180.41 1jke h GLU 103 N 0.27 0.39 -0.38 0.00 4.22 -1.25 -2.25 114.58 115.57 1jke h GLU 103 Ca 0.11 -0.18 -0.03 0.00 0.08 0.00 0.00 59.36 59.34 1jke h GLU 103 Cb 0.03 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1jke h GLU 103 CO -0.08 0.70 0.11 0.00 -2.18 0.00 0.00 179.01 177.56 1jke h ALA 104 N 0.68 0.51 0.00 2.92 0.00 -0.87 -1.71 119.26 120.79 1jke h ALA 104 Ca 0.04 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1jke h ALA 104 Cb 0.59 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1jke h ALA 104 CO 0.03 0.16 -0.24 -0.07 0.00 0.00 0.00 179.25 179.13 1jke h LEU 105 N 0.48 0.00 0.10 0.00 3.38 -1.12 -0.32 115.31 117.82 1jke h LEU 105 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1jke h LEU 105 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1jke h LEU 105 CO -0.00 0.24 -0.05 0.22 0.09 0.00 0.00 178.44 178.94 1jke h TYR 106 N 0.00 -0.12 -0.68 1.13 3.20 -1.23 0.96 116.97 120.22 1jke h TYR 106 Ca -0.00 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1jke h TYR 106 Cb 0.96 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 39.21 1jke h TYR 106 CO 0.00 0.29 0.36 -0.44 -1.64 0.00 0.00 178.16 176.74 1jke h ASP 107 N -0.57 0.52 -0.26 -2.11 5.19 -1.19 -1.10 116.42 116.90 1jke h ASP 107 Ca -0.01 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 1jke h ASP 107 Cb 0.47 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 1jke h ASP 107 CO 0.02 0.32 0.10 0.22 -3.12 0.00 0.00 179.24 176.78 1jke h TYR 108 N 0.65 0.39 -0.47 4.55 3.20 -0.99 -1.63 116.97 122.68 1jke h TYR 108 Ca 0.32 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.18 1jke h TYR 108 Cb 0.25 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1jke h TYR 108 CO -0.09 0.41 0.27 0.35 -1.64 0.00 0.00 178.16 177.46 1jke h PHE 109 N 0.26 0.51 -0.25 -3.82 3.57 -0.32 0.54 116.94 117.43 1jke h PHE 109 Ca 0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1jke h PHE 109 Cb 0.19 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1jke h PHE 109 CO -0.01 0.29 0.16 0.28 -2.23 0.00 0.00 178.31 176.80 1jke h VAL 110 N 0.55 1.08 -0.41 1.41 2.07 -1.07 -0.52 116.25 119.36 1jke h VAL 110 Ca 0.19 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 1jke h VAL 110 Cb 0.04 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1jke h VAL 110 CO -0.10 0.07 0.01 -0.08 0.02 0.00 0.00 177.57 177.49 1jke h GLU 111 N 0.34 0.66 -0.61 1.57 4.57 -0.96 -1.28 114.58 118.86 1jke h GLU 111 Ca 0.09 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 1jke h GLU 111 Cb -0.02 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.45 1jke h GLU 111 CO -0.02 0.67 0.25 -0.09 -1.18 0.00 0.00 179.01 178.65 1jke h ARG 112 N 0.62 0.91 -0.38 1.92 9.65 -0.45 -1.45 114.38 125.20 1jke h ARG 112 Ca 0.13 -0.16 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1jke h ARG 112 Cb 0.38 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.79 1jke h ARG 112 CO 0.01 0.76 0.19 0.00 2.80 0.00 0.00 179.97 183.74 1jke h ARG 114 N 0.49 0.42 0.00 0.00 3.08 -0.88 1.09 114.38 118.58 1jke h ARG 114 Ca 0.13 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1jke h ARG 114 Cb 0.10 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1jke h ARG 114 CO -0.02 0.34 -0.17 1.96 -1.07 0.00 0.00 179.97 181.01 1jke h GLN 115 N 0.42 0.00 0.00 0.04 4.20 -0.93 -3.27 115.11 115.58 1jke h GLN 115 Ca 0.11 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.47 1jke h GLN 115 Cb 0.06 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.78 1jke h GLN 115 CO -0.01 0.17 -2.28 1.04 -0.67 0.00 0.00 178.83 177.07 1jke n GLN 116 N -3.59 0.54 -3.90 1.46 1.13 -0.48 -4.90 117.38 107.64 1jke n GLN 116 Ca -0.01 0.15 -0.30 0.00 -1.94 0.00 0.00 57.00 54.89 1jke n GLN 116 Cb 0.30 -1.42 -0.15 0.00 0.11 0.00 0.00 30.24 29.08 1jke n GLN 116 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1jke s GLU 117 N -2.44 1.25 0.57 -1.09 2.56 0.37 -4.99 118.70 114.93 1jke s GLU 117 Ca -0.31 -1.39 0.27 0.00 0.00 0.00 0.00 54.97 53.55 1jke s GLU 117 Cb 0.09 -2.64 1.56 0.00 2.00 0.00 0.00 34.13 35.14 1jke s GLU 117 CO 0.49 -0.87 2.06 0.00 -0.56 0.00 0.00 175.26 176.37 1jke h MET 118 N 7.86 0.00 -3.32 4.30 -0.00 -1.79 -3.21 114.93 118.76 1jke h MET 118 Ca -0.11 0.00 -0.73 0.00 -0.00 0.00 0.00 59.70 58.86 1jke h MET 118 Cb 1.03 0.00 -0.10 0.00 -0.00 0.00 0.00 31.60 32.53 1jke h MET 118 CO 0.48 0.00 2.54 0.09 -0.00 0.00 0.00 176.91 180.02 1jke n ASN 119 N -3.94 6.00 -4.24 -0.10 5.03 -1.26 -4.91 115.26 111.85 1jke n ASN 119 Ca 0.04 -3.01 -0.33 0.00 0.87 0.00 0.00 54.58 52.15 1jke n ASN 119 Cb 0.40 -1.49 -0.16 0.00 -1.02 0.00 0.00 39.78 37.51 1jke n ASN 119 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1jke s THR 120 N 0.73 2.38 0.32 3.41 2.01 -1.21 -0.95 115.64 122.32 1jke s THR 120 Ca 0.48 -0.88 0.10 0.00 0.31 0.00 0.00 61.69 61.70 1jke s THR 120 Cb 0.14 -1.96 -0.06 0.00 0.01 0.00 0.00 72.50 70.62 1jke s THR 120 CO -0.04 0.54 -0.12 -1.10 -0.69 0.00 0.00 174.62 173.20 1jke s GLN 121 N 0.64 1.76 0.27 4.92 -1.52 0.79 -4.99 119.66 121.53 1jke s GLN 121 Ca -0.10 -1.88 -0.02 0.00 -1.95 0.00 0.00 55.36 51.41 1jke s GLN 121 Cb -0.16 -1.69 -0.02 0.00 -0.22 0.00 0.00 33.01 30.92 1jke s GLN 121 CO 0.02 0.19 0.31 0.95 -0.25 0.00 0.00 175.29 176.51 1jke s THR 122 N -2.61 0.00 0.00 -0.19 -4.23 -1.26 -0.60 115.64 106.75 1jke s THR 122 Ca 0.32 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1jke s THR 122 Cb 0.01 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1jke s THR 122 CO 0.16 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 1jke n GLY 123 N -0.43 1.51 3.04 3.99 0.00 -0.82 -2.95 105.19 109.53 1jke n GLY 123 Ca 0.02 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 1jke n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jke s ARG 124 N 2.67 2.46 0.09 1.61 0.52 -1.26 -4.92 118.95 120.12 1jke s ARG 124 Ca 0.00 -0.63 -0.34 0.00 -0.52 0.00 0.00 55.73 54.23 1jke s ARG 124 Cb 0.00 -2.23 -0.14 0.00 0.52 0.00 0.00 34.95 33.10 1jke s ARG 124 CO 0.00 -0.24 1.63 0.34 0.02 0.00 0.00 175.30 177.06 1jke n PHE 125 N 4.73 2.24 -1.04 -0.53 7.35 -1.26 -1.76 117.46 127.19 1jke n PHE 125 Ca -0.18 0.23 -0.01 0.00 -0.76 0.00 0.00 57.45 56.73 1jke n PHE 125 Cb 0.50 -2.56 -0.01 0.00 0.35 0.00 0.00 39.48 37.77 1jke n PHE 125 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1jke n ALA 126 N 4.13 -0.02 -2.63 3.13 0.00 -1.26 -5.01 120.51 118.85 1jke n ALA 126 Ca 0.18 0.02 -0.25 0.00 0.00 0.00 0.00 53.44 53.40 1jke n ALA 126 Cb 0.28 -0.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 1jke n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jke s ALA 127 N -1.55 3.68 -0.44 0.00 0.00 -0.72 -5.02 121.76 117.71 1jke s ALA 127 Ca 0.00 -0.85 -0.27 0.00 0.00 0.00 0.00 51.96 50.83 1jke s ALA 127 Cb 0.00 -2.15 0.03 0.00 0.00 0.00 0.00 23.12 21.00 1jke s ALA 127 CO 0.00 0.01 1.03 0.34 0.00 0.00 0.00 175.76 177.14 1jke s ASP 128 N -3.92 6.62 0.14 0.00 -1.08 -1.26 -4.94 116.67 112.23 1jke s ASP 128 Ca 0.41 0.41 0.08 0.00 -0.52 0.00 0.00 52.55 52.93 1jke s ASP 128 Cb -0.10 -2.50 -0.04 0.00 -1.46 0.00 0.00 42.92 38.82 1jke s ASP 128 CO 0.36 -1.10 -0.07 -0.04 0.52 0.00 0.00 175.17 174.84 1jke s MET 129 N 4.01 2.20 -0.20 4.34 -1.94 -1.26 -4.42 119.30 122.03 1jke s MET 129 Ca 0.43 -1.11 0.01 0.00 -1.71 0.00 0.00 55.69 53.31 1jke s MET 129 Cb -0.09 -2.29 0.02 0.00 2.01 0.00 0.00 34.83 34.49 1jke s MET 129 CO 0.27 0.47 -0.16 -0.65 -0.01 0.00 0.00 175.02 174.94 1jke s GLN 130 N -2.58 2.88 -0.39 2.03 -1.52 -0.55 -4.98 119.66 114.55 1jke s GLN 130 Ca 0.24 -0.91 -0.09 0.00 -1.95 0.00 0.00 55.36 52.65 1jke s GLN 130 Cb -0.10 -2.68 0.06 0.00 -0.22 0.00 0.00 33.01 30.07 1jke s GLN 130 CO 0.16 -0.28 0.21 0.08 -0.25 0.00 0.00 175.29 175.21 1jke s VAL 131 N 1.28 4.18 -0.02 1.09 1.01 -1.26 -1.35 120.40 125.32 1jke s VAL 131 Ca 0.02 -1.25 -0.14 0.00 0.00 0.00 0.00 61.98 60.61 1jke s VAL 131 Cb -0.14 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1jke s VAL 131 CO -0.10 -0.39 0.39 -0.44 0.00 0.00 0.00 175.10 174.56 1jke s SER 132 N 1.84 6.77 0.18 3.32 0.01 0.58 -4.94 113.70 121.45 1jke s SER 132 Ca 0.02 0.91 -0.23 0.00 1.31 0.00 0.00 55.95 57.96 1jke s SER 132 Cb -0.21 -2.24 0.06 0.00 0.21 0.00 0.00 66.02 63.84 1jke s SER 132 CO 0.03 0.32 0.66 -1.48 0.41 0.00 0.00 173.24 173.18 1jke s LEU 133 N -1.00 -0.47 -0.27 2.44 2.34 -1.26 -0.01 118.68 120.45 1jke s LEU 133 Ca 0.23 -0.17 0.01 0.00 0.06 0.00 0.00 54.13 54.26 1jke s LEU 133 Cb -0.16 2.59 0.07 0.00 -0.56 0.00 0.00 46.19 48.13 1jke s LEU 133 CO 0.12 -1.05 -0.01 -0.69 -1.06 0.00 0.00 176.35 173.66 1jke s VAL 134 N -3.75 1.58 -0.28 1.48 1.01 -0.55 -4.98 120.40 114.92 1jke s VAL 134 Ca 0.04 -1.46 -0.29 0.00 0.00 0.00 0.00 61.98 60.28 1jke s VAL 134 Cb -0.02 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.42 1jke s VAL 134 CO -0.07 -0.27 1.04 0.21 0.00 0.00 0.00 175.10 176.01 1jke s ASN 135 N 1.33 6.99 -0.68 3.32 3.84 -1.26 -1.61 114.94 126.88 1jke s ASN 135 Ca -0.01 1.18 -0.24 0.00 0.21 0.00 0.00 52.86 54.00 1jke s ASN 135 Cb -0.19 -2.53 0.06 0.00 -0.55 0.00 0.00 41.25 38.04 1jke s ASN 135 CO -0.09 -0.77 1.06 -0.62 -2.79 0.00 0.00 177.10 173.89 1jke s ASP 136 N 1.44 6.17 0.00 -4.21 2.15 0.48 -4.43 116.67 118.28 1jke s ASP 136 Ca 0.44 -0.81 0.00 0.00 0.43 0.00 0.00 52.55 52.61 1jke s ASP 136 Cb -0.14 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 1jke s ASP 136 CO 0.11 -1.55 0.00 0.61 -0.17 0.00 0.00 175.17 174.16 1jke n GLY 137 N 5.34 1.96 3.87 2.66 0.00 -1.26 -3.54 105.19 114.21 1jke n GLY 137 Ca -0.02 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 1jke n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jke s PRO 138 N 0.00 2.53 -0.06 1.61 0.04 -1.26 -5.17 135.00 132.69 1jke s PRO 138 Ca 0.00 0.44 -0.02 0.00 0.04 0.00 0.00 61.00 61.47 1jke s PRO 138 Cb 0.00 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.58 1jke s PRO 138 CO 0.00 -1.27 0.03 0.08 0.04 0.00 0.00 177.00 175.88 1jke s VAL 139 N -3.35 0.15 -0.04 -0.36 1.01 -1.23 -5.06 120.40 111.52 1jke s VAL 139 Ca 0.59 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.83 1jke s VAL 139 Cb -0.12 -0.35 0.03 0.00 0.00 0.00 0.00 36.38 35.94 1jke s VAL 139 CO 0.52 0.22 0.06 -0.89 0.00 0.00 0.00 175.10 175.01 1jke s THR 140 N 2.07 -0.09 0.03 3.92 2.01 -1.26 -1.41 115.64 120.90 1jke s THR 140 Ca 0.05 0.29 0.05 0.00 0.31 0.00 0.00 61.69 62.39 1jke s THR 140 Cb -0.12 -0.13 -0.02 0.00 0.01 0.00 0.00 72.50 72.24 1jke s THR 140 CO -0.04 0.12 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.49 1jke s PHE 141 N 1.51 1.36 -0.37 4.92 0.40 -0.12 -4.98 117.98 120.69 1jke s PHE 141 Ca -0.04 -0.33 -0.12 0.00 -0.60 0.00 0.00 56.93 55.85 1jke s PHE 141 Cb -0.12 -0.83 0.02 0.00 0.51 0.00 0.00 43.02 42.60 1jke s PHE 141 CO -0.04 0.03 0.22 -0.46 0.70 0.00 0.00 175.22 175.68 1jke s TRP 142 N -0.70 3.24 -0.08 0.36 -0.11 -1.26 -0.73 118.94 119.66 1jke s TRP 142 Ca 0.04 -0.81 0.01 0.00 1.22 0.00 0.00 56.10 56.55 1jke s TRP 142 Cb -0.07 -2.47 -0.03 0.00 -1.50 0.00 0.00 33.47 29.40 1jke s TRP 142 CO 0.01 -0.61 -0.07 -0.51 -4.62 0.00 0.00 176.95 171.15 1jke s LEU 143 N 1.59 3.15 -0.05 5.86 1.43 -0.26 -4.99 118.68 125.41 1jke s LEU 143 Ca 0.03 -0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 52.96 1jke s LEU 143 Cb -0.19 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1jke s LEU 143 CO 0.08 0.34 0.29 -1.58 0.23 0.00 0.00 176.35 175.71 1jke s GLN 144 N -0.68 0.54 0.00 1.70 0.74 -1.26 -0.41 119.66 120.29 1jke s GLN 144 Ca 0.10 0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.53 1jke s GLN 144 Cb -0.11 0.24 0.00 0.00 1.10 0.00 0.00 33.01 34.24 1jke s GLN 144 CO 0.02 -0.12 0.22 1.33 -0.55 0.00 0.00 175.29 176.18