#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkn s SER 1 N 0.00 -0.20 -0.12 1.61 1.04 0.25 -4.93 113.70 111.35 2jkn s SER 1 Ca 0.00 -0.71 -0.16 0.00 0.48 0.00 0.00 55.95 55.55 2jkn s SER 1 Cb 0.00 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 2jkn s SER 1 CO 0.00 -1.23 0.40 0.12 0.98 0.00 0.00 173.24 173.51 2jkn s PHE 2 N -3.95 3.52 -0.27 5.02 2.19 -1.26 -0.92 117.98 122.30 2jkn s PHE 2 Ca 0.15 0.79 -0.05 0.00 0.33 0.00 0.00 56.93 58.16 2jkn s PHE 2 Cb -0.03 -2.45 0.01 0.00 -1.31 0.00 0.00 43.02 39.24 2jkn s PHE 2 CO 0.07 0.24 0.02 0.99 1.83 0.00 0.00 175.22 178.37 2jkn s THR 3 N 0.39 3.57 0.15 0.12 2.01 0.21 -4.98 115.64 117.11 2jkn s THR 3 Ca 0.22 -0.73 -0.31 0.00 0.31 0.00 0.00 61.69 61.18 2jkn s THR 3 Cb -0.14 -2.80 -0.10 0.00 0.01 0.00 0.00 72.50 69.47 2jkn s THR 3 CO 0.08 0.18 1.56 -2.84 -0.69 0.00 0.00 174.62 172.91 2jkn s PRO 4 N 1.45 4.22 -0.41 4.92 0.02 -1.26 -1.66 135.00 142.28 2jkn s PRO 4 Ca 0.03 2.33 -0.01 0.00 0.02 0.00 0.00 61.00 63.36 2jkn s PRO 4 Cb -0.16 -3.22 0.20 0.00 0.02 0.00 0.00 34.50 31.33 2jkn s PRO 4 CO -0.00 -0.61 0.92 0.45 -0.33 0.00 0.00 177.00 177.43 2jkn s SER 5 N 1.30 -0.82 0.00 2.53 0.15 -0.40 -4.92 113.70 111.55 2jkn s SER 5 Ca 0.70 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2jkn s SER 5 Cb -0.42 1.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2jkn s SER 5 CO 0.31 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.32 2jkn n GLY 6 N 3.06 -1.24 3.97 9.45 0.00 -1.13 -3.65 105.19 115.65 2jkn n GLY 6 Ca 0.13 -1.21 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 2jkn n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jkn s THR 7 N -3.00 1.75 -0.10 2.61 -4.23 -1.26 -4.60 115.64 106.81 2jkn s THR 7 Ca 0.00 -1.28 0.02 0.00 -1.18 0.00 0.00 61.69 59.25 2jkn s THR 7 Cb 0.00 -2.03 -0.02 0.00 1.34 0.00 0.00 72.50 71.79 2jkn s THR 7 CO 0.00 0.00 -0.15 -0.89 -0.54 0.00 0.00 174.62 173.04 2jkn s THR 8 N -2.76 2.93 -0.14 3.99 2.01 -1.26 -1.00 115.64 119.40 2jkn s THR 8 Ca 0.46 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 2jkn s THR 8 Cb -0.04 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 2jkn s THR 8 CO 0.29 0.55 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.86 2jkn s GLY 9 N -0.04 1.64 -0.18 4.40 0.00 -0.00 -4.98 107.32 108.17 2jkn s GLY 9 Ca -0.04 -0.85 -0.01 0.00 0.00 0.00 0.00 44.72 43.82 2jkn s GLY 9 CO 0.04 -0.17 -0.14 -1.59 0.00 0.00 0.00 173.10 171.24 2jkn s THR 10 N 0.25 2.67 -0.24 0.90 2.01 -1.26 -1.03 115.64 118.94 2jkn s THR 10 Ca -0.05 -0.75 -0.09 0.00 0.31 0.00 0.00 61.69 61.11 2jkn s THR 10 Cb -0.15 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 2jkn s THR 10 CO 0.04 0.50 0.12 -0.89 -0.69 0.00 0.00 174.62 173.69 2jkn s THR 11 N 1.16 4.84 -0.01 -0.82 2.01 0.90 -4.96 115.64 118.75 2jkn s THR 11 Ca 0.01 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.09 2jkn s THR 11 Cb -0.14 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 2jkn s THR 11 CO -0.05 0.34 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.45 2jkn s LYS 12 N 1.34 1.78 -0.07 4.92 1.02 -1.26 -0.31 119.74 127.15 2jkn s LYS 12 Ca 0.06 -0.82 -0.04 0.00 0.02 0.00 0.00 55.97 55.20 2jkn s LYS 12 Cb -0.15 -1.74 0.03 0.00 -0.52 0.00 0.00 37.83 35.46 2jkn s LYS 12 CO 0.05 0.47 0.16 -1.17 -0.92 0.00 0.00 175.35 173.95 2jkn s LEU 13 N -0.59 0.82 -0.22 3.17 2.96 -0.12 -4.62 118.68 120.09 2jkn s LEU 13 Ca 0.09 0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 54.25 2jkn s LEU 13 Cb -0.09 0.46 -0.04 0.00 0.50 0.00 0.00 46.19 47.03 2jkn s LEU 13 CO -0.01 -0.13 0.10 -0.89 -1.32 0.00 0.00 176.35 174.10 2jkn s THR 14 N 0.95 4.86 -0.13 3.68 2.01 -0.48 0.15 115.64 126.68 2jkn s THR 14 Ca -0.07 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.85 2jkn s THR 14 Cb -0.09 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 2jkn s THR 14 CO -0.05 0.38 0.15 -0.69 -0.69 0.00 0.00 174.62 173.72 2jkn s VAL 15 N 0.99 5.47 0.38 3.82 1.01 0.07 -0.96 120.40 131.18 2jkn s VAL 15 Ca 0.05 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.33 2jkn s VAL 15 Cb -0.14 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 2jkn s VAL 15 CO 0.03 0.58 0.19 0.42 0.00 0.00 0.00 175.10 176.33 2jkn s THR 16 N -0.76 0.32 0.80 3.92 -4.23 -0.10 -1.65 115.64 113.94 2jkn s THR 16 Ca 0.14 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.61 2jkn s THR 16 Cb -0.12 -2.38 0.17 0.00 1.34 0.00 0.00 72.50 71.50 2jkn s THR 16 CO 0.03 0.00 1.10 -0.62 -0.54 0.00 0.00 174.62 174.59 2jkn n GLU 17 N -0.81 -0.43 -0.23 3.99 -0.58 -1.26 -1.19 120.64 120.12 2jkn n GLU 17 Ca -0.01 -2.58 -0.00 0.00 -0.42 0.00 0.00 57.16 54.15 2jkn n GLU 17 Cb 0.64 -0.86 0.11 0.00 -0.57 0.00 0.00 31.44 30.76 2jkn n GLU 17 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2jkn h LYS 18 N 0.00 0.61 -6.30 3.49 3.11 -1.97 -3.33 116.57 112.17 2jkn h LYS 18 Ca -0.36 -0.04 -0.58 0.00 -2.81 0.00 0.00 60.65 56.86 2jkn h LYS 18 Cb 1.23 -0.14 -0.09 0.00 -1.00 0.00 0.00 32.23 32.23 2jkn h LYS 18 CO 0.35 0.40 0.79 0.00 -2.81 0.00 0.00 179.45 178.18 2jkn s GLN 20 N 4.44 3.02 -0.37 0.00 0.74 -1.25 -5.06 119.66 121.17 2jkn s GLN 20 Ca 0.39 -0.84 -0.02 0.00 0.05 0.00 0.00 55.36 54.93 2jkn s GLN 20 Cb -0.09 -2.51 0.09 0.00 1.10 0.00 0.00 33.01 31.60 2jkn s GLN 20 CO 0.24 -0.10 0.14 0.08 -0.55 0.00 0.00 175.29 175.10 2jkn s VAL 21 N 1.03 3.19 -0.23 1.34 1.01 -1.26 -5.08 120.40 120.40 2jkn s VAL 21 Ca -0.02 -1.84 -0.26 0.00 0.00 0.00 0.00 61.98 59.87 2jkn s VAL 21 Cb -0.14 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 33.15 2jkn s VAL 21 CO -0.07 -0.50 0.88 -0.13 0.00 0.00 0.00 175.10 175.28 2jkn s ARG 22 N 1.17 4.22 -0.16 2.72 0.52 -1.26 -5.04 118.95 121.12 2jkn s ARG 22 Ca 0.04 1.05 -0.01 0.00 -0.52 0.00 0.00 55.73 56.29 2jkn s ARG 22 Cb -0.22 -3.63 -0.01 0.00 0.52 0.00 0.00 34.95 31.61 2jkn s ARG 22 CO -0.03 -0.51 -0.11 0.08 0.02 0.00 0.00 175.30 174.75 2jkn s VAL 23 N 2.81 3.03 0.00 3.52 1.01 -1.26 -5.03 120.40 124.48 2jkn s VAL 23 Ca 0.37 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2jkn s VAL 23 Cb -0.15 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.92 2jkn s VAL 23 CO 0.08 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2jkn n GLY 24 N 4.04 -1.43 3.71 4.51 0.00 -1.26 -4.91 105.19 109.85 2jkn n GLY 24 Ca -0.18 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.17 2jkn n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jkn n ASP 25 N -0.07 1.94 -4.64 1.61 10.43 -1.26 -4.90 116.55 119.66 2jkn n ASP 25 Ca 0.00 0.85 -0.47 0.00 2.57 0.00 0.00 54.79 57.74 2jkn n ASP 25 Cb 0.00 -1.53 -0.03 0.00 1.84 0.00 0.00 41.12 41.40 2jkn n ASP 25 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 2jkn n LEU 26 N -1.55 2.51 -4.21 0.64 7.94 -1.26 -5.00 117.00 116.06 2jkn n LEU 26 Ca 0.15 1.14 -0.13 0.00 -1.11 0.00 0.00 56.01 56.05 2jkn n LEU 26 Cb 0.47 -1.35 -0.09 0.00 0.53 0.00 0.00 43.42 42.98 2jkn n LEU 26 CO 0.48 -0.77 -0.20 0.42 -1.11 0.00 0.00 177.39 176.22 2jkn s THR 27 N 0.00 0.00 -0.33 1.96 -4.23 -1.26 -5.12 115.64 106.67 2jkn s THR 27 Ca 0.71 -1.98 -0.29 0.00 -1.18 0.00 0.00 61.69 58.96 2jkn s THR 27 Cb -0.73 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 70.63 2jkn s THR 27 CO 0.49 0.00 1.07 -0.69 -0.54 0.00 0.00 174.62 174.95 2jkn s VAL 28 N -4.01 4.51 0.01 2.29 1.01 -1.26 -5.00 120.40 117.94 2jkn s VAL 28 Ca 0.39 1.70 0.01 0.00 0.00 0.00 0.00 61.98 64.08 2jkn s VAL 28 Cb 0.06 -4.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 2jkn s VAL 28 CO 0.15 -0.49 -0.05 0.00 0.00 0.00 0.00 175.10 174.70 2jkn s ALA 29 N 3.66 0.38 0.03 5.51 0.00 -1.26 -1.38 121.76 128.70 2jkn s ALA 29 Ca 0.45 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2jkn s ALA 29 Cb -0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 2jkn s ALA 29 CO 0.16 0.03 -0.04 0.15 0.00 0.00 0.00 175.76 176.06 2jkn s LYS 30 N -0.61 0.42 0.62 0.00 1.02 -0.14 -4.95 119.74 116.11 2jkn s LYS 30 Ca -0.03 -0.77 -0.11 0.00 0.02 0.00 0.00 55.97 55.07 2jkn s LYS 30 Cb -0.05 0.04 -0.04 0.00 -0.52 0.00 0.00 37.83 37.26 2jkn s LYS 30 CO -0.00 -0.04 1.03 0.95 -0.92 0.00 0.00 175.35 176.37 2jkn s THR 31 N -1.95 4.60 0.44 2.17 -4.23 -1.26 -0.93 115.64 114.49 2jkn s THR 31 Ca -0.10 0.88 0.15 0.00 -1.18 0.00 0.00 61.69 61.44 2jkn s THR 31 Cb -0.06 -3.79 0.19 0.00 1.34 0.00 0.00 72.50 70.17 2jkn s THR 31 CO -0.02 -1.07 1.99 0.08 -0.54 0.00 0.00 174.62 175.06 2jkn h ARG 32 N -0.27 0.00 0.00 3.99 0.11 -1.45 -0.97 114.38 115.78 2jkn h ARG 32 Ca -0.44 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.63 2jkn h ARG 32 Cb 1.19 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.27 2jkn h ARG 32 CO 0.61 0.18 -0.02 0.78 0.10 0.00 0.00 179.97 181.63 2jkn h GLY 33 N 0.57 0.00 1.09 0.08 0.00 -1.86 -1.21 103.07 101.75 2jkn h GLY 33 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jkn h GLY 33 CO 0.02 0.00 -0.11 -1.06 0.00 0.00 0.00 176.54 175.39 2jkn n GLN 34 N -3.57 0.55 -1.52 4.80 6.02 -0.37 -4.42 117.38 118.87 2jkn n GLN 34 Ca -0.03 -0.16 -0.37 0.00 -0.01 0.00 0.00 57.00 56.43 2jkn n GLN 34 Cb 0.11 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 2jkn n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jkn n LEU 35 N -1.08 8.16 -4.91 1.08 4.77 -0.46 -4.85 117.00 119.71 2jkn n LEU 35 Ca 0.13 -4.44 -0.27 0.00 -0.03 0.00 0.00 56.01 51.41 2jkn n LEU 35 Cb 0.28 -1.47 0.02 0.00 -2.33 0.00 0.00 43.42 39.92 2jkn n LEU 35 CO 0.25 2.03 0.48 0.42 -1.33 0.00 0.00 177.39 179.24 2jkn s THR 36 N 0.75 4.18 0.21 -5.08 -4.23 -1.26 -1.33 115.64 108.89 2jkn s THR 36 Ca 0.64 0.06 -0.32 0.00 -1.18 0.00 0.00 61.69 60.88 2jkn s THR 36 Cb 0.20 -3.62 -0.13 0.00 1.34 0.00 0.00 72.50 70.29 2jkn s THR 36 CO -0.07 -0.62 1.55 -0.67 -0.54 0.00 0.00 174.62 174.27 2jkn n ASP 37 N -2.42 3.24 0.00 3.99 2.03 -1.26 -1.40 116.55 120.72 2jkn n ASP 37 Ca 0.03 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.44 2jkn n ASP 37 Cb 0.57 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 2jkn n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jkn n ALA 38 N 2.88 0.00 -1.73 -1.67 0.00 0.53 -4.93 120.51 115.60 2jkn n ALA 38 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 2jkn n ALA 38 Cb 0.32 -0.38 -0.02 0.00 0.00 0.00 0.00 19.45 19.36 2jkn n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jkn n ALA 39 N 1.00 2.65 -1.96 0.00 0.00 -0.49 -4.55 120.51 117.16 2jkn n ALA 39 Ca 0.00 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.42 2jkn n ALA 39 Cb 0.03 -2.49 -0.04 0.00 0.00 0.00 0.00 19.45 16.96 2jkn n ALA 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jkn s PRO 40 N 0.40 4.54 -0.25 0.00 0.04 -1.26 -0.85 135.00 137.62 2jkn s PRO 40 Ca 0.70 1.85 -0.01 0.00 0.04 0.00 0.00 61.00 63.59 2jkn s PRO 40 Cb -0.51 -3.22 -0.15 0.00 0.04 0.00 0.00 34.50 30.66 2jkn s PRO 40 CO 0.40 0.01 -0.23 -0.89 0.04 0.00 0.00 177.00 176.33 2jkn n ILE 41 N 2.03 1.40 0.00 0.56 5.41 0.29 -4.90 119.36 124.15 2jkn n ILE 41 Ca 0.02 -0.51 0.00 0.00 1.00 0.00 0.00 62.75 63.27 2jkn n ILE 41 Cb 0.45 -1.44 0.00 0.00 -0.71 0.00 0.00 39.64 37.94 2jkn n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jkn n GLY 42 N 2.18 1.85 3.90 7.39 0.00 -1.20 -5.02 105.19 114.29 2jkn n GLY 42 Ca -0.44 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 2jkn n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jkn s PRO 43 N -2.00 3.66 -0.18 1.61 0.04 -1.26 -1.61 135.00 135.25 2jkn s PRO 43 Ca 0.00 0.09 -0.00 0.00 0.04 0.00 0.00 61.00 61.13 2jkn s PRO 43 Cb 0.00 -2.59 0.04 0.00 0.04 0.00 0.00 34.50 31.99 2jkn s PRO 43 CO 0.00 0.16 -0.07 0.08 0.04 0.00 0.00 177.00 177.21 2jkn s VAL 44 N -2.15 1.29 0.39 -0.36 1.01 0.10 -4.96 120.40 115.72 2jkn s VAL 44 Ca 0.45 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 61.40 2jkn s VAL 44 Cb -0.11 -1.45 -0.09 0.00 0.00 0.00 0.00 36.38 34.73 2jkn s VAL 44 CO 0.30 0.12 1.05 0.42 0.00 0.00 0.00 175.10 177.00 2jkn s THR 45 N 1.55 3.71 -0.04 3.92 -4.23 -1.26 -0.07 115.64 119.21 2jkn s THR 45 Ca -0.00 1.34 -0.00 0.00 -1.18 0.00 0.00 61.69 61.84 2jkn s THR 45 Cb -0.16 -3.71 0.03 0.00 1.34 0.00 0.00 72.50 70.00 2jkn s THR 45 CO -0.08 0.04 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.35 2jkn s VAL 46 N -1.62 0.27 -0.22 2.29 1.01 -0.13 -4.90 120.40 117.11 2jkn s VAL 46 Ca 0.57 0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.60 2jkn s VAL 46 Cb -0.23 -0.38 0.07 0.00 0.00 0.00 0.00 36.38 35.84 2jkn s VAL 46 CO 0.29 0.19 0.06 -1.10 0.00 0.00 0.00 175.10 174.54 2jkn s GLN 47 N 1.34 0.50 0.11 2.72 -1.52 -1.26 -0.79 119.66 120.76 2jkn s GLN 47 Ca -0.05 -0.46 -0.07 0.00 -1.95 0.00 0.00 55.36 52.83 2jkn s GLN 47 Cb -0.13 -1.94 -0.06 0.00 -0.22 0.00 0.00 33.01 30.66 2jkn s GLN 47 CO -0.02 -0.73 0.39 0.00 -0.25 0.00 0.00 175.29 174.68 2jkn s ALA 48 N 1.91 3.75 -0.02 6.09 0.00 -0.14 -5.01 121.76 128.34 2jkn s ALA 48 Ca 0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 2jkn s ALA 48 Cb -0.17 -2.21 0.01 0.00 0.00 0.00 0.00 23.12 20.76 2jkn s ALA 48 CO -0.14 0.61 0.05 -0.51 0.00 0.00 0.00 175.76 175.78 2jkn s LEU 49 N -2.29 1.67 -0.50 0.00 1.02 -1.26 -4.56 118.68 112.76 2jkn s LEU 49 Ca 0.37 0.09 0.00 0.00 0.02 0.00 0.00 54.13 54.62 2jkn s LEU 49 Cb -0.13 0.14 0.00 0.00 0.02 0.00 0.00 46.19 46.22 2jkn s LEU 49 CO 0.21 -0.04 0.00 0.61 0.02 0.00 0.00 176.35 177.15 2jkn n GLY 50 N 3.26 0.75 1.43 -3.19 0.00 -1.26 -4.94 105.19 101.25 2jkn n GLY 50 Ca -0.15 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 2jkn n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jkn h ASP 52 N 1.08 0.11 -0.35 0.00 3.45 -1.92 -1.89 116.42 116.89 2jkn h ASP 52 Ca 0.32 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.78 2jkn h ASP 52 Cb 1.96 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 40.71 2jkn h ASP 52 CO 0.56 0.07 0.00 0.00 -1.57 0.00 0.00 179.24 178.30 2jkn n ALA 53 N -2.58 2.48 -2.34 3.45 0.00 -1.26 -3.56 120.51 116.71 2jkn n ALA 53 Ca 0.06 -1.52 -0.17 0.00 0.00 0.00 0.00 53.44 51.81 2jkn n ALA 53 Cb 0.38 -0.57 -0.10 0.00 0.00 0.00 0.00 19.45 19.16 2jkn n ALA 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jkn s ARG 54 N -1.59 1.22 -0.29 0.00 1.81 -0.78 -4.90 118.95 114.43 2jkn s ARG 54 Ca 0.31 -1.51 -0.18 0.00 -1.72 0.00 0.00 55.73 52.63 2jkn s ARG 54 Cb 0.20 -0.97 -0.02 0.00 -0.45 0.00 0.00 34.95 33.72 2jkn s ARG 54 CO 0.15 0.16 0.53 -0.65 -0.68 0.00 0.00 175.30 174.80 2jkn s GLN 55 N -3.55 3.92 0.46 3.54 -0.21 -1.25 -1.60 119.66 120.96 2jkn s GLN 55 Ca 0.19 0.17 -0.25 0.00 0.02 0.00 0.00 55.36 55.50 2jkn s GLN 55 Cb -0.00 -3.71 -0.08 0.00 1.00 0.00 0.00 33.01 30.22 2jkn s GLN 55 CO 0.05 -0.47 1.42 0.08 -2.12 0.00 0.00 175.29 174.25 2jkn s VAL 56 N 2.38 2.07 0.05 1.09 1.01 -1.26 -0.91 120.40 124.83 2jkn s VAL 56 Ca 0.21 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.14 2jkn s VAL 56 Cb -0.15 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.20 2jkn s VAL 56 CO 0.11 0.01 0.24 0.00 0.00 0.00 0.00 175.10 175.45 2jkn s ALA 57 N -1.22 -0.47 -0.05 5.51 0.00 0.16 -1.05 121.76 124.64 2jkn s ALA 57 Ca 0.62 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.38 2jkn s ALA 57 Cb -0.43 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.04 2jkn s ALA 57 CO 0.55 -0.42 -0.13 -0.51 0.00 0.00 0.00 175.76 175.25 2jkn s LEU 58 N -2.25 1.75 -0.13 0.00 2.01 -0.27 -0.87 118.68 118.91 2jkn s LEU 58 Ca -0.03 -0.29 0.01 0.00 0.01 0.00 0.00 54.13 53.83 2jkn s LEU 58 Cb 0.00 -0.81 -0.00 0.00 0.01 0.00 0.00 46.19 45.39 2jkn s LEU 58 CO -0.05 0.07 -0.18 -0.75 1.01 0.00 0.00 176.35 176.45 2jkn s LYS 59 N 0.40 3.19 0.40 1.70 2.20 -0.17 -0.61 119.74 126.85 2jkn s LYS 59 Ca -0.09 -0.78 -0.23 0.00 -0.36 0.00 0.00 55.97 54.51 2jkn s LYS 59 Cb -0.13 -2.52 -0.11 0.00 -1.51 0.00 0.00 37.83 33.57 2jkn s LYS 59 CO 0.03 0.11 0.95 0.00 -0.36 0.00 0.00 175.35 176.08 2jkn s ALA 60 N 0.56 3.09 0.72 3.13 0.00 -0.17 -0.96 121.76 128.14 2jkn s ALA 60 Ca -0.11 0.45 -0.16 0.00 0.00 0.00 0.00 51.96 52.14 2jkn s ALA 60 Cb -0.16 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.80 2jkn s ALA 60 CO 0.04 0.12 1.00 -0.25 0.00 0.00 0.00 175.76 176.67 2jkn n ASP 61 N -0.27 0.61 -0.34 0.00 9.92 -0.68 -4.86 116.55 120.93 2jkn n ASP 61 Ca 0.05 0.68 0.13 0.00 -0.53 0.00 0.00 54.79 55.12 2jkn n ASP 61 Cb 0.53 -1.42 0.32 0.00 -0.64 0.00 0.00 41.12 39.91 2jkn n ASP 61 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2jkn h THR 62 N -0.22 0.66 0.00 -3.53 2.02 -1.93 -0.66 112.91 109.24 2jkn h THR 62 Ca -0.48 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2jkn h THR 62 Cb 1.33 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2jkn h THR 62 CO 0.47 0.13 0.00 0.47 0.37 0.00 0.00 175.52 176.96 2jkn n ASP 63 N -4.82 0.00 -0.72 4.18 8.00 -1.26 -3.45 116.55 118.48 2jkn n ASP 63 Ca 0.23 -0.49 0.06 0.00 0.71 0.00 0.00 54.79 55.31 2jkn n ASP 63 Cb 0.60 -0.09 0.17 0.00 -0.02 0.00 0.00 41.12 41.78 2jkn n ASP 63 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jkn n ASN 64 N -1.09 3.08 -3.66 -2.24 5.03 -0.26 -4.74 115.26 111.38 2jkn n ASN 64 Ca 0.15 -2.06 -0.12 0.00 0.87 0.00 0.00 54.58 53.42 2jkn n ASN 64 Cb 0.11 -0.27 -0.06 0.00 -1.02 0.00 0.00 39.78 38.54 2jkn n ASN 64 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 2jkn s PHE 65 N -1.10 -0.22 -0.17 3.10 -0.12 -1.22 -1.09 117.98 117.16 2jkn s PHE 65 Ca 0.26 0.04 -0.30 0.00 -0.05 0.00 0.00 56.93 56.88 2jkn s PHE 65 Cb 0.14 0.22 0.14 0.00 -0.63 0.00 0.00 43.02 42.89 2jkn s PHE 65 CO 0.17 -0.62 1.06 -2.00 -0.05 0.00 0.00 175.22 173.78 2jkn s GLU 66 N -3.10 0.51 -1.22 1.99 2.12 -0.52 -4.98 118.70 113.50 2jkn s GLU 66 Ca -0.01 0.08 -0.33 0.00 0.36 0.00 0.00 54.97 55.07 2jkn s GLU 66 Cb 0.01 0.24 0.04 0.00 0.26 0.00 0.00 34.13 34.67 2jkn s GLU 66 CO -0.07 -0.17 0.68 0.94 -0.54 0.00 0.00 175.26 176.10 2jkn n GLN 67 N 0.59 -0.35 -0.54 4.30 7.27 -1.26 0.29 117.38 127.68 2jkn n GLN 67 Ca -0.08 0.11 0.00 0.00 0.07 0.00 0.00 57.00 57.10 2jkn n GLN 67 Cb 0.58 -2.70 0.00 0.00 2.41 0.00 0.00 30.24 30.54 2jkn n GLN 67 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jkn n GLY 68 N -2.07 0.00 3.66 1.69 0.00 -1.26 -4.91 105.19 102.30 2jkn n GLY 68 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 2jkn n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jkn s LYS 69 N -1.07 2.83 0.13 1.61 1.02 0.14 -4.97 119.74 119.44 2jkn s LYS 69 Ca 0.00 -0.53 0.04 0.00 0.02 0.00 0.00 55.97 55.50 2jkn s LYS 69 Cb 0.00 -2.69 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 2jkn s LYS 69 CO 0.00 0.66 0.12 -0.06 -0.92 0.00 0.00 175.35 175.15 2jkn s PHE 70 N -0.95 3.18 -0.06 3.18 0.40 -1.26 -1.43 117.98 121.03 2jkn s PHE 70 Ca 0.16 0.02 -0.30 0.00 -0.60 0.00 0.00 56.93 56.21 2jkn s PHE 70 Cb -0.11 -1.56 0.07 0.00 0.51 0.00 0.00 43.02 41.93 2jkn s PHE 70 CO 0.05 0.52 0.66 -0.59 0.70 0.00 0.00 175.22 176.56 2jkn s PHE 71 N -1.62 -0.64 0.53 0.36 -0.12 -0.25 -1.95 117.98 114.29 2jkn s PHE 71 Ca 0.30 1.11 -0.18 0.00 -0.05 0.00 0.00 56.93 58.12 2jkn s PHE 71 Cb -0.11 0.39 -0.07 0.00 -0.63 0.00 0.00 43.02 42.60 2jkn s PHE 71 CO 0.23 -0.59 1.02 -0.51 -0.05 0.00 0.00 175.22 175.32 2jkn s LEU 72 N -1.13 3.67 0.01 -1.99 1.02 0.35 -4.51 118.68 116.11 2jkn s LEU 72 Ca -0.11 1.77 0.07 0.00 0.02 0.00 0.00 54.13 55.88 2jkn s LEU 72 Cb -0.01 -4.53 -0.02 0.00 0.02 0.00 0.00 46.19 41.65 2jkn s LEU 72 CO 0.09 -0.82 -0.22 -0.51 0.02 0.00 0.00 176.35 174.91 2jkn s ILE 73 N -2.34 1.75 0.80 -0.59 1.10 -0.35 -1.36 121.20 120.21 2jkn s ILE 73 Ca 0.63 -1.08 -0.10 0.00 -0.51 0.00 0.00 60.65 59.58 2jkn s ILE 73 Cb -0.14 -1.48 0.07 0.00 0.15 0.00 0.00 42.46 41.07 2jkn s ILE 73 CO 0.28 0.37 1.10 -0.94 -2.11 0.00 0.00 174.94 173.64 2jkn s SER 74 N -0.85 4.19 0.40 4.50 1.04 -0.27 -0.93 113.70 121.78 2jkn s SER 74 Ca 0.08 1.88 0.15 0.00 0.48 0.00 0.00 55.95 58.54 2jkn s SER 74 Cb -0.09 -2.52 1.00 0.00 0.10 0.00 0.00 66.02 64.51 2jkn s SER 74 CO 0.00 -2.25 1.88 0.44 0.98 0.00 0.00 173.24 174.30 2jkn h ASP 75 N -1.27 0.47 -0.13 7.02 3.32 -1.55 0.20 116.42 124.48 2jkn h ASP 75 Ca -0.44 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2jkn h ASP 75 Cb 1.24 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2jkn h ASP 75 CO 0.50 0.22 0.00 -0.46 -1.72 0.00 0.00 179.24 177.77 2jkn n ASN 76 N -4.52 1.03 0.00 6.45 6.94 -1.26 -4.90 115.26 119.00 2jkn n ASN 76 Ca 0.17 -1.69 0.00 0.00 -0.02 0.00 0.00 54.58 53.04 2jkn n ASN 76 Cb 0.59 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 2jkn n ASN 76 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2jkn n ASN 77 N -0.07 -1.28 -0.03 0.53 5.15 0.06 -4.89 115.26 114.73 2jkn n ASN 77 Ca 0.13 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.90 2jkn n ASN 77 Cb 0.21 -1.23 -0.13 0.00 -0.53 0.00 0.00 39.78 38.10 2jkn n ASN 77 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2jkn h ARG 78 N 1.42 0.17 -5.69 1.20 2.43 -1.91 -3.46 114.38 108.53 2jkn h ARG 78 Ca 0.00 -0.28 -0.66 0.00 -0.81 0.00 0.00 59.98 58.23 2jkn h ARG 78 Cb 0.12 0.11 -0.13 0.00 -0.42 0.00 0.00 29.97 29.64 2jkn h ARG 78 CO 0.00 1.14 -0.57 -0.51 -1.51 0.00 0.00 179.97 178.51 2jkn s ASP 79 N -6.96 5.60 0.01 -3.80 1.01 -1.26 -4.96 116.67 106.32 2jkn s ASP 79 Ca -0.23 0.20 0.02 0.00 0.71 0.00 0.00 52.55 53.24 2jkn s ASP 79 Cb 0.05 -1.76 -0.04 0.00 1.01 0.00 0.00 42.92 42.19 2jkn s ASP 79 CO 0.71 0.33 0.02 -0.54 0.21 0.00 0.00 175.17 175.89 2jkn s LYS 80 N -0.56 2.80 -0.33 8.23 1.02 -1.26 -1.11 119.74 128.53 2jkn s LYS 80 Ca 0.10 -0.62 0.02 0.00 0.02 0.00 0.00 55.97 55.49 2jkn s LYS 80 Cb -0.12 -2.68 0.10 0.00 -0.52 0.00 0.00 37.83 34.61 2jkn s LYS 80 CO 0.02 0.61 0.08 -1.17 -0.92 0.00 0.00 175.35 173.97 2jkn s LEU 81 N -1.71 3.49 0.32 3.17 2.96 -0.46 -4.96 118.68 121.49 2jkn s LEU 81 Ca 0.21 -1.91 -0.29 0.00 -0.22 0.00 0.00 54.13 51.92 2jkn s LEU 81 Cb -0.12 -1.24 -0.10 0.00 0.50 0.00 0.00 46.19 45.23 2jkn s LEU 81 CO 0.12 -0.40 1.37 -0.31 -1.32 0.00 0.00 176.35 175.81 2jkn s TYR 82 N 1.24 2.96 0.11 5.38 1.51 -1.26 -0.50 117.35 126.79 2jkn s TYR 82 Ca 0.11 1.29 0.01 0.00 -1.01 0.00 0.00 57.07 57.46 2jkn s TYR 82 Cb -0.18 -3.77 -0.04 0.00 -0.11 0.00 0.00 41.96 37.85 2jkn s TYR 82 CO -0.16 -2.24 -0.04 0.14 -1.11 0.00 0.00 175.55 172.14 2jkn s VAL 83 N -0.89 0.54 0.02 0.71 -7.23 -0.82 -1.22 120.40 111.50 2jkn s VAL 83 Ca 0.52 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.79 2jkn s VAL 83 Cb -0.41 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 2jkn s VAL 83 CO 0.53 -0.79 0.03 0.20 -0.31 0.00 0.00 175.10 174.76 2jkn s ASN 84 N -3.04 5.27 -0.18 4.85 0.01 0.84 -4.33 114.94 118.37 2jkn s ASN 84 Ca 0.14 0.01 0.01 0.00 -0.71 0.00 0.00 52.86 52.31 2jkn s ASN 84 Cb 0.06 -1.40 0.01 0.00 0.41 0.00 0.00 41.25 40.33 2jkn s ASN 84 CO -0.04 0.26 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.00 2jkn s ILE 85 N -1.17 2.26 -0.11 0.60 1.01 -1.26 -1.18 121.20 121.36 2jkn s ILE 85 Ca 0.22 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 2jkn s ILE 85 Cb -0.12 -1.95 0.05 0.00 0.01 0.00 0.00 42.46 40.45 2jkn s ILE 85 CO 0.13 0.53 0.25 -0.60 0.00 0.00 0.00 174.94 175.24 2jkn s ARG 86 N 1.19 0.20 0.47 2.79 3.52 -0.59 -4.98 118.95 121.55 2jkn s ARG 86 Ca 0.02 0.54 -0.23 0.00 -0.13 0.00 0.00 55.73 55.92 2jkn s ARG 86 Cb -0.14 -0.12 -0.07 0.00 -1.56 0.00 0.00 34.95 33.06 2jkn s ARG 86 CO -0.09 -0.17 1.24 -1.25 -0.81 0.00 0.00 175.30 174.22 2jkn s PRO 87 N 1.30 3.67 0.45 5.12 0.04 -1.26 -0.48 135.00 143.84 2jkn s PRO 87 Ca -0.09 1.96 0.25 0.00 0.04 0.00 0.00 61.00 63.17 2jkn s PRO 87 Cb -0.10 -2.46 0.95 0.00 0.04 0.00 0.00 34.50 32.93 2jkn s PRO 87 CO -0.09 -0.68 1.83 1.79 0.04 0.00 0.00 177.00 179.90 2jkn h THR 88 N 1.91 0.47 -0.11 1.26 1.35 -1.46 -2.77 112.91 113.57 2jkn h THR 88 Ca -0.50 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 2jkn h THR 88 Cb 1.26 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 2jkn h THR 88 CO 0.60 0.19 0.00 -0.90 -0.25 0.00 0.00 175.52 175.16 2jkn n ASP 89 N -3.34 1.18 -2.05 5.36 3.85 -1.26 -4.93 116.55 115.36 2jkn n ASP 89 Ca 0.00 -1.60 -0.17 0.00 -0.71 0.00 0.00 54.79 52.32 2jkn n ASP 89 Cb 0.42 -0.07 -0.03 0.00 -1.35 0.00 0.00 41.12 40.09 2jkn n ASP 89 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2jkn n ASN 90 N -0.01 -4.68 -4.64 -1.12 4.13 -1.04 -4.98 115.26 102.91 2jkn n ASN 90 Ca 0.16 0.22 -0.30 0.00 1.68 0.00 0.00 54.58 56.34 2jkn n ASN 90 Cb 0.26 -4.05 0.18 0.00 -1.54 0.00 0.00 39.78 34.62 2jkn n ASN 90 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2jkn s SER 91 N -2.18 2.65 -0.19 6.41 1.04 -1.26 -4.97 113.70 115.20 2jkn s SER 91 Ca 0.00 1.65 -0.19 0.00 0.48 0.00 0.00 55.95 57.89 2jkn s SER 91 Cb 0.00 -2.29 -0.03 0.00 0.10 0.00 0.00 66.02 63.80 2jkn s SER 91 CO 0.00 -3.18 0.53 0.00 0.98 0.00 0.00 173.24 171.57 2jkn s ALA 92 N -2.74 3.53 0.28 5.32 0.00 -1.26 -4.82 121.76 122.07 2jkn s ALA 92 Ca 0.66 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.31 2jkn s ALA 92 Cb -0.21 -2.82 -0.06 0.00 0.00 0.00 0.00 23.12 20.03 2jkn s ALA 92 CO 0.59 -0.40 0.01 -1.58 0.00 0.00 0.00 175.76 174.38 2jkn s TRP 93 N 1.54 1.83 0.02 0.00 0.52 -1.26 -0.99 118.94 120.60 2jkn s TRP 93 Ca 0.25 -0.89 0.04 0.00 0.02 0.00 0.00 56.10 55.53 2jkn s TRP 93 Cb -0.15 -1.12 -0.02 0.00 -1.15 0.00 0.00 33.47 31.03 2jkn s TRP 93 CO 0.10 0.06 -0.13 0.99 0.02 0.00 0.00 176.95 177.99 2jkn s THR 94 N -3.27 0.99 -0.18 2.01 2.01 0.86 -4.85 115.64 113.21 2jkn s THR 94 Ca 0.32 -0.84 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 2jkn s THR 94 Cb 0.07 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 2jkn s THR 94 CO 0.12 0.05 0.02 -0.89 -0.69 0.00 0.00 174.62 173.23 2jkn s THR 95 N -0.70 4.25 -0.32 -0.82 2.01 -1.26 -0.69 115.64 118.11 2jkn s THR 95 Ca 0.02 -0.22 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 2jkn s THR 95 Cb -0.07 -2.91 0.13 0.00 0.01 0.00 0.00 72.50 69.66 2jkn s THR 95 CO 0.01 0.45 0.22 -0.62 -0.69 0.00 0.00 174.62 173.99 2jkn s ASP 96 N 0.64 2.61 -1.09 3.53 3.68 0.88 -4.97 116.67 121.95 2jkn s ASP 96 Ca 0.01 -1.43 -0.19 0.00 2.13 0.00 0.00 52.55 53.06 2jkn s ASP 96 Cb -0.14 -0.03 -0.01 0.00 -1.45 0.00 0.00 42.92 41.30 2jkn s ASP 96 CO 0.02 -0.37 0.77 -3.20 0.13 0.00 0.00 175.17 172.52 2jkn n ASN 97 N 4.81 -5.42 0.00 -0.34 5.15 -1.26 -1.98 115.26 116.23 2jkn n ASN 97 Ca 0.02 -0.97 0.00 0.00 -0.60 0.00 0.00 54.58 53.03 2jkn n ASN 97 Cb 0.42 -3.29 0.00 0.00 -0.53 0.00 0.00 39.78 36.38 2jkn n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jkn n GLY 98 N -1.70 1.48 3.50 8.20 0.00 -1.26 -5.01 105.19 110.39 2jkn n GLY 98 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 2jkn n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkn s VAL 99 N -2.71 3.88 -0.36 1.61 1.01 -0.84 -0.99 120.40 122.00 2jkn s VAL 99 Ca 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 2jkn s VAL 99 Cb 0.00 -2.70 0.08 0.00 0.00 0.00 0.00 36.38 33.76 2jkn s VAL 99 CO 0.00 0.50 0.13 0.12 0.00 0.00 0.00 175.10 175.84 2jkn s PHE 100 N 0.34 3.40 0.14 5.22 5.36 0.22 -0.08 117.98 132.59 2jkn s PHE 100 Ca -0.04 -1.97 0.11 0.00 -0.96 0.00 0.00 56.93 54.06 2jkn s PHE 100 Cb -0.14 -2.68 -0.04 0.00 -0.34 0.00 0.00 43.02 39.81 2jkn s PHE 100 CO 0.03 -0.86 -0.26 1.52 -1.46 0.00 0.00 175.22 174.19 2jkn s TYR 101 N 1.25 2.27 0.26 10.12 1.13 0.13 -1.11 117.35 131.40 2jkn s TYR 101 Ca 0.02 -0.38 -0.30 0.00 -1.41 0.00 0.00 57.07 55.00 2jkn s TYR 101 Cb -0.21 -1.21 -0.09 0.00 -1.10 0.00 0.00 41.96 39.35 2jkn s TYR 101 CO -0.01 0.36 1.03 0.21 -2.51 0.00 0.00 175.55 174.63 2jkn s LYS 102 N -2.18 4.73 0.43 -3.49 2.20 -0.21 -0.09 119.74 121.12 2jkn s LYS 102 Ca 0.15 1.67 0.29 0.00 -0.36 0.00 0.00 55.97 57.72 2jkn s LYS 102 Cb -0.10 -3.23 1.17 0.00 -1.51 0.00 0.00 37.83 34.17 2jkn s LYS 102 CO 0.07 0.34 1.87 -0.91 -0.36 0.00 0.00 175.35 176.35 2jkn h ASN 103 N 4.02 0.00 -3.00 1.43 2.35 -1.39 -3.44 115.58 115.55 2jkn h ASN 103 Ca -0.46 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 54.67 2jkn h ASN 103 Cb 1.21 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.44 2jkn h ASN 103 CO 0.68 0.00 -0.72 -0.62 -1.65 0.00 0.00 177.43 175.12 2jkn s ASP 104 N -5.15 4.29 0.83 5.81 3.68 -1.26 -5.09 116.67 119.78 2jkn s ASP 104 Ca 0.03 -0.57 -0.12 0.00 2.13 0.00 0.00 52.55 54.02 2jkn s ASP 104 Cb 0.09 -0.74 0.09 0.00 -1.45 0.00 0.00 42.92 40.91 2jkn s ASP 104 CO 0.50 0.10 1.13 0.68 0.13 0.00 0.00 175.17 177.71 2jkn s VAL 105 N -1.70 2.42 0.00 1.11 -7.23 -1.26 -4.46 120.40 109.28 2jkn s VAL 105 Ca 0.25 0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.56 2jkn s VAL 105 Cb -0.09 -2.98 0.00 0.00 0.56 0.00 0.00 36.38 33.87 2jkn s VAL 105 CO 0.15 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 2jkn n GLY 106 N -2.57 3.96 3.24 2.32 0.00 -0.63 -4.94 105.19 106.59 2jkn n GLY 106 Ca 0.07 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 2jkn n GLY 106 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jkn n SER 107 N 0.00 4.74 -4.77 1.61 7.64 -1.21 -4.44 113.62 117.19 2jkn n SER 107 Ca 0.00 -2.94 -0.38 0.00 1.01 0.00 0.00 58.87 56.57 2jkn n SER 107 Cb 0.00 -1.65 -0.02 0.00 -1.01 0.00 0.00 64.21 61.53 2jkn n SER 107 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 2jkn s TRP 108 N 2.92 2.98 -0.04 1.43 -0.00 -1.26 -4.65 118.94 120.32 2jkn s TRP 108 Ca 0.48 1.55 0.03 0.00 -0.00 0.00 0.00 56.10 58.16 2jkn s TRP 108 Cb 0.06 -3.38 0.00 0.00 -0.00 0.00 0.00 33.47 30.15 2jkn s TRP 108 CO 0.01 -1.39 -0.13 0.20 -0.00 0.00 0.00 176.95 175.64 2jkn s GLY 109 N -1.25 0.75 0.00 5.86 0.00 -1.26 -0.97 107.32 110.45 2jkn s GLY 109 Ca 0.60 -0.51 -0.02 0.00 0.00 0.00 0.00 44.72 44.79 2jkn s GLY 109 CO 0.36 -0.18 0.09 0.61 0.00 0.00 0.00 173.10 173.98 2jkn n GLY 110 N 3.29 0.76 3.32 0.20 0.00 0.03 -5.01 105.19 107.79 2jkn n GLY 110 Ca -0.19 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 2jkn n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkn s ILE 111 N -2.24 2.85 -0.26 -0.61 -1.09 -1.26 -0.95 121.20 117.63 2jkn s ILE 111 Ca 0.02 -0.73 -0.09 0.00 -2.23 0.00 0.00 60.65 57.62 2jkn s ILE 111 Cb -0.00 -2.19 -0.04 0.00 -1.58 0.00 0.00 42.46 38.65 2jkn s ILE 111 CO 0.00 0.52 0.13 -0.63 -1.23 0.00 0.00 174.94 173.73 2jkn s ILE 112 N 0.50 4.83 0.02 2.92 -1.09 0.90 -1.03 121.20 128.25 2jkn s ILE 112 Ca -0.10 0.00 -0.16 0.00 -2.23 0.00 0.00 60.65 58.17 2jkn s ILE 112 Cb -0.16 -3.28 -0.06 0.00 -1.58 0.00 0.00 42.46 37.38 2jkn s ILE 112 CO 0.04 0.30 0.44 -0.83 -1.23 0.00 0.00 174.94 173.67 2jkn s GLY 113 N 1.64 2.53 -0.22 6.18 0.00 0.37 0.01 107.32 117.82 2jkn s GLY 113 Ca 0.07 -0.16 -0.07 0.00 0.00 0.00 0.00 44.72 44.56 2jkn s GLY 113 CO 0.07 0.22 0.05 -0.42 0.00 0.00 0.00 173.10 173.02 2jkn s ILE 114 N -1.08 4.26 0.08 0.90 -1.09 -0.64 -1.54 121.20 122.10 2jkn s ILE 114 Ca 0.25 -0.20 0.07 0.00 -2.23 0.00 0.00 60.65 58.54 2jkn s ILE 114 Cb -0.17 -2.96 -0.03 0.00 -1.58 0.00 0.00 42.46 37.71 2jkn s ILE 114 CO 0.15 0.39 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.75 2jkn s TYR 115 N 1.22 1.59 0.22 3.97 2.02 -0.32 -0.55 117.35 125.50 2jkn s TYR 115 Ca 0.04 -0.41 -0.31 0.00 -0.37 0.00 0.00 57.07 56.02 2jkn s TYR 115 Cb -0.14 -0.90 -0.11 0.00 -0.40 0.00 0.00 41.96 40.41 2jkn s TYR 115 CO 0.03 0.13 1.61 0.08 -1.57 0.00 0.00 175.55 175.82 2jkn s VAL 116 N -1.08 2.32 -0.62 0.71 1.01 -0.03 -0.11 120.40 122.60 2jkn s VAL 116 Ca 0.04 0.24 -0.08 0.00 0.00 0.00 0.00 61.98 62.19 2jkn s VAL 116 Cb -0.09 -3.15 0.16 0.00 0.00 0.00 0.00 36.38 33.29 2jkn s VAL 116 CO 0.03 0.03 0.48 -0.62 0.00 0.00 0.00 175.10 175.02 2jkn s ASP 117 N 0.91 5.76 0.00 3.32 2.15 -0.36 -0.35 116.67 128.11 2jkn s ASP 117 Ca 0.69 -2.47 0.00 0.00 0.43 0.00 0.00 52.55 51.19 2jkn s ASP 117 Cb -0.46 -1.99 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 2jkn s ASP 117 CO 0.37 -0.53 0.00 0.61 -0.17 0.00 0.00 175.17 175.44 2jkn n GLY 118 N 4.12 0.77 3.68 2.66 0.00 -1.26 -4.68 105.19 110.48 2jkn n GLY 118 Ca 0.04 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 2jkn n GLY 118 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jkn s GLN 119 N -3.96 4.13 -0.32 1.61 -1.52 -1.26 -4.19 119.66 114.15 2jkn s GLN 119 Ca 0.00 2.62 0.17 0.00 -1.95 0.00 0.00 55.36 56.21 2jkn s GLN 119 Cb 0.00 -3.78 0.47 0.00 -0.22 0.00 0.00 33.01 29.48 2jkn s GLN 119 CO 0.00 -0.89 1.02 1.04 -0.25 0.00 0.00 175.29 176.21 2jkn n GLN 120 N 6.30 1.65 0.00 2.91 6.02 -0.44 -4.89 117.38 128.93 2jkn n GLN 120 Ca 0.19 -3.49 0.10 0.00 -0.01 0.00 0.00 57.00 53.78 2jkn n GLN 120 Cb 0.39 -1.49 0.57 0.00 1.02 0.00 0.00 30.24 30.72 2jkn n GLN 120 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2jkn n THR 121 N -0.28 0.00 -0.38 5.09 -2.24 -1.24 -2.06 114.28 113.17 2jkn n THR 121 Ca 0.13 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.99 2jkn n THR 121 Cb 0.81 -0.57 0.24 0.00 -2.10 0.00 0.00 70.33 68.70 2jkn n THR 121 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2jkn n ASN 122 N -0.92 3.57 -4.70 3.42 3.02 -1.26 -4.37 115.26 114.01 2jkn n ASN 122 Ca 0.14 -2.18 -0.43 0.00 -0.03 0.00 0.00 54.58 52.08 2jkn n ASN 122 Cb 0.07 -0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 38.82 2jkn n ASN 122 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2jkn n THR 123 N 0.78 0.08 -2.02 3.41 -1.04 -0.88 -4.93 114.28 109.69 2jkn n THR 123 Ca 0.18 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.77 2jkn n THR 123 Cb 0.60 -1.82 -0.01 0.00 -1.82 0.00 0.00 70.33 67.28 2jkn n THR 123 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2jkn s PRO 124 N 0.95 4.04 0.38 -2.82 0.02 -1.26 -4.83 135.00 131.48 2jkn s PRO 124 Ca 0.76 2.24 -0.28 0.00 0.02 0.00 0.00 61.00 63.73 2jkn s PRO 124 Cb -0.57 -2.84 -0.11 0.00 0.02 0.00 0.00 34.50 31.00 2jkn s PRO 124 CO 0.35 -0.46 1.46 -2.30 -0.33 0.00 0.00 177.00 175.73 2jkn n PRO 125 N 0.28 2.60 -3.67 5.54 -0.02 -1.26 -4.85 135.00 133.61 2jkn n PRO 125 Ca 0.03 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 2jkn n PRO 125 Cb 0.43 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 2jkn n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jkn n GLY 126 N 0.49 -1.85 3.58 -1.23 0.00 -0.66 -4.97 105.19 100.55 2jkn n GLY 126 Ca 0.02 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 2jkn n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jkn s ASN 127 N -1.95 5.46 -0.01 1.61 0.01 -1.26 -0.75 114.94 118.05 2jkn s ASN 127 Ca 0.00 -0.01 0.08 0.00 -0.71 0.00 0.00 52.86 52.22 2jkn s ASN 127 Cb 0.00 -1.95 -0.02 0.00 0.41 0.00 0.00 41.25 39.69 2jkn s ASN 127 CO 0.00 0.12 -0.24 -0.31 -1.51 0.00 0.00 177.10 175.15 2jkn s TYR 128 N 0.71 2.38 0.01 2.20 2.02 0.12 -1.29 117.35 123.51 2jkn s TYR 128 Ca 0.03 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 2jkn s TYR 128 Cb -0.13 -1.49 -0.01 0.00 -0.40 0.00 0.00 41.96 39.93 2jkn s TYR 128 CO 0.02 0.04 -0.08 0.99 -1.57 0.00 0.00 175.55 174.95 2jkn s THR 129 N -0.68 0.60 -0.10 -0.71 2.01 -0.11 -0.94 115.64 115.70 2jkn s THR 129 Ca 0.11 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.61 2jkn s THR 129 Cb -0.10 -0.54 0.02 0.00 0.01 0.00 0.00 72.50 71.89 2jkn s THR 129 CO 0.00 0.04 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.63 2jkn s LEU 130 N -0.52 1.51 -0.15 4.42 2.96 0.57 -1.21 118.68 126.26 2jkn s LEU 130 Ca 0.00 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 2jkn s LEU 130 Cb -0.05 -0.94 -0.01 0.00 0.50 0.00 0.00 46.19 45.69 2jkn s LEU 130 CO 0.00 -0.03 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.99 2jkn s THR 131 N 1.21 3.10 -0.10 3.68 2.01 -1.26 -0.07 115.64 124.20 2jkn s THR 131 Ca -0.03 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.36 2jkn s THR 131 Cb -0.14 -2.33 0.01 0.00 0.01 0.00 0.00 72.50 70.06 2jkn s THR 131 CO -0.04 0.50 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.48 2jkn s LEU 132 N 0.63 1.75 -0.10 4.42 1.43 -0.20 -1.68 118.68 124.92 2jkn s LEU 132 Ca -0.06 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.60 2jkn s LEU 132 Cb -0.15 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 2jkn s LEU 132 CO 0.03 0.04 -0.02 -0.89 0.23 0.00 0.00 176.35 175.74 2jkn s THR 133 N 0.85 4.13 0.42 5.49 2.01 -0.13 -0.82 115.64 127.58 2jkn s THR 133 Ca -0.10 -0.30 -0.21 0.00 0.31 0.00 0.00 61.69 61.39 2jkn s THR 133 Cb -0.15 -2.75 -0.11 0.00 0.01 0.00 0.00 72.50 69.50 2jkn s THR 133 CO 0.01 0.57 0.93 -0.83 -0.69 0.00 0.00 174.62 174.61 2jkn s GLY 134 N -0.53 2.39 0.00 4.40 0.00 -0.17 -1.00 107.32 112.41 2jkn s GLY 134 Ca 0.09 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.18 2jkn s GLY 134 CO 0.02 0.65 0.00 0.61 0.00 0.00 0.00 173.10 174.38 2jkn n GLY 135 N -0.59 0.84 3.11 0.20 0.00 -0.05 -1.28 105.19 107.42 2jkn n GLY 135 Ca 0.07 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 2jkn n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jkn s TYR 136 N -1.51 0.24 -0.25 1.61 1.13 -0.67 -0.67 117.35 117.23 2jkn s TYR 136 Ca 0.00 -0.57 -0.14 0.00 -1.41 0.00 0.00 57.07 54.95 2jkn s TYR 136 Cb 0.00 -0.17 -0.04 0.00 -1.10 0.00 0.00 41.96 40.65 2jkn s TYR 136 CO 0.00 -0.37 0.34 -0.46 -2.51 0.00 0.00 175.55 172.55 2jkn s TRP 137 N -2.74 3.28 0.00 -3.49 -0.11 -0.09 -0.62 118.94 115.17 2jkn s TRP 137 Ca -0.04 0.40 0.00 0.00 1.22 0.00 0.00 56.10 57.68 2jkn s TRP 137 Cb -0.00 -2.51 0.00 0.00 -1.50 0.00 0.00 33.47 29.46 2jkn s TRP 137 CO -0.05 -0.15 0.00 0.00 -4.62 0.00 0.00 176.95 172.13