#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2n s PRO 2 N 0.00 4.23 0.00 1.61 0.04 -1.26 -5.05 135.00 134.58 1j2n s PRO 2 Ca 0.00 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1j2n s PRO 2 Cb 0.00 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.77 1j2n s PRO 2 CO 0.00 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.31 1j2n n GLY 3 N 0.68 1.39 0.00 0.56 0.00 -1.26 -4.95 105.19 101.62 1j2n n GLY 3 Ca 0.03 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1j2n n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2n n GLY 4 N 5.00 2.17 3.17 -0.02 0.00 -1.26 -4.90 105.19 109.35 1j2n n GLY 4 Ca 0.00 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 1j2n n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j2n s SER 5 N -4.00 5.59 -0.08 1.61 1.04 -1.26 -5.06 113.70 111.54 1j2n s SER 5 Ca 0.00 -2.34 -0.30 0.00 0.48 0.00 0.00 55.95 53.80 1j2n s SER 5 Cb 0.00 -1.95 -0.04 0.00 0.10 0.00 0.00 66.02 64.14 1j2n s SER 5 CO 0.00 -0.54 1.35 -2.16 0.98 0.00 0.00 173.24 172.87 1j2n s PRO 6 N 0.71 4.26 -0.08 4.02 0.04 -1.26 -4.99 135.00 137.71 1j2n s PRO 6 Ca 0.11 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 62.68 1j2n s PRO 6 Cb -0.22 -3.71 0.09 0.00 0.04 0.00 0.00 34.50 30.70 1j2n s PRO 6 CO -0.03 -0.64 0.78 0.20 0.04 0.00 0.00 177.00 177.35 1j2n s GLY 7 N 2.07 -0.48 0.00 0.56 0.00 -1.26 -4.95 107.32 103.26 1j2n s GLY 7 Ca 0.60 1.51 0.00 0.00 0.00 0.00 0.00 44.72 46.83 1j2n s GLY 7 CO 0.22 0.95 0.00 0.61 0.00 0.00 0.00 173.10 174.87 1j2n n GLY 8 N 0.79 2.71 3.39 0.20 0.00 -1.26 -5.01 105.19 106.02 1j2n n GLY 8 Ca -0.16 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.03 1j2n n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j2n s LEU 9 N 0.00 5.20 -0.15 0.99 2.01 -1.26 -4.73 118.68 120.74 1j2n s LEU 9 Ca 0.00 -1.34 -0.06 0.00 0.01 0.00 0.00 54.13 52.74 1j2n s LEU 9 Cb 0.00 -2.33 0.02 0.00 0.01 0.00 0.00 46.19 43.89 1j2n s LEU 9 CO 0.00 -1.17 0.11 0.00 1.01 0.00 0.00 176.35 176.30 1j2n n GLN 10 N 6.58 -3.11 0.09 1.70 1.13 -1.26 -4.91 117.38 117.60 1j2n n GLN 10 Ca -0.08 2.50 -0.15 0.00 -1.94 0.00 0.00 57.00 57.33 1j2n n GLN 10 Cb 0.43 -3.68 -0.14 0.00 0.11 0.00 0.00 30.24 26.96 1j2n n GLN 10 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1j2n h LYS 11 N 4.06 0.23 -2.34 -1.09 3.64 -1.94 -3.49 116.57 115.64 1j2n h LYS 11 Ca -0.25 -0.40 0.18 0.00 -1.27 0.00 0.00 60.65 58.91 1j2n h LYS 11 Cb 0.69 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.59 1j2n h LYS 11 CO 0.03 1.16 0.54 0.50 -2.27 0.00 0.00 179.45 179.41 1j2n s ARG 12 N -2.65 1.19 -0.06 1.90 3.00 -1.26 -5.06 118.95 116.01 1j2n s ARG 12 Ca -0.04 -0.70 0.10 0.00 -1.00 0.00 0.00 55.73 54.09 1j2n s ARG 12 Cb 0.07 0.38 -0.14 0.00 0.00 0.00 0.00 34.95 35.26 1j2n s ARG 12 CO 0.87 -0.55 0.13 1.58 0.00 0.00 0.00 175.30 177.33 1j2n n HIS 13 N -0.54 0.00 0.30 5.12 -0.00 -1.26 -4.49 115.22 114.34 1j2n n HIS 13 Ca -0.05 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.71 1j2n n HIS 13 Cb 0.60 -0.37 0.20 0.00 -0.00 0.00 0.00 29.99 30.43 1j2n n HIS 13 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1j2n n ALA 14 N -2.13 2.91 -3.68 1.57 0.00 -1.26 -4.80 120.51 113.12 1j2n n ALA 14 Ca -0.09 -0.89 -0.11 0.00 0.00 0.00 0.00 53.44 52.35 1j2n n ALA 14 Cb 0.56 -1.03 -0.12 0.00 0.00 0.00 0.00 19.45 18.87 1j2n n ALA 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1j2n s ARG 15 N -1.75 0.25 -0.01 0.00 6.06 -1.26 -4.82 118.95 117.42 1j2n s ARG 15 Ca 0.28 0.80 -0.05 0.00 -2.50 0.00 0.00 55.73 54.26 1j2n s ARG 15 Cb 0.19 0.06 0.00 0.00 0.06 0.00 0.00 34.95 35.25 1j2n s ARG 15 CO 0.13 -0.23 0.10 0.14 -2.50 0.00 0.00 175.30 172.93 1j2n s VAL 16 N 2.10 0.06 -0.10 7.11 -7.23 -1.26 -4.70 120.40 116.39 1j2n s VAL 16 Ca -0.03 -0.53 -0.08 0.00 -1.81 0.00 0.00 61.98 59.53 1j2n s VAL 16 Cb -0.11 -0.33 -0.03 0.00 0.56 0.00 0.00 36.38 36.48 1j2n s VAL 16 CO -0.10 -0.29 -0.15 -0.67 -0.31 0.00 0.00 175.10 173.57 1j2n n ASP 17 N 1.93 1.16 -4.57 4.85 2.03 -1.26 -4.85 116.55 115.83 1j2n n ASP 17 Ca -0.20 0.39 -0.42 0.00 0.52 0.00 0.00 54.79 55.08 1j2n n ASP 17 Cb 0.56 -0.70 -0.06 0.00 -0.72 0.00 0.00 41.12 40.20 1j2n n ASP 17 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1j2n s VAL 18 N -1.92 4.81 -0.14 5.18 1.01 -1.26 -4.88 120.40 123.19 1j2n s VAL 18 Ca -0.12 0.70 0.04 0.00 0.00 0.00 0.00 61.98 62.60 1j2n s VAL 18 Cb 0.02 -4.15 -0.12 0.00 0.00 0.00 0.00 36.38 32.13 1j2n s VAL 18 CO 0.18 -0.39 -0.08 0.29 0.00 0.00 0.00 175.10 175.10 1j2n n LYS 19 N 6.24 0.94 -3.91 2.72 4.01 -1.26 -5.05 118.16 121.84 1j2n n LYS 19 Ca 0.01 0.06 -0.23 0.00 -0.51 0.00 0.00 58.31 57.63 1j2n n LYS 19 Cb 0.48 -1.31 -0.05 0.00 -0.51 0.00 0.00 35.03 33.65 1j2n n LYS 19 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1j2n n TYR 20 N -2.78 0.82 -2.40 2.13 4.02 -1.26 -4.86 117.16 112.82 1j2n n TYR 20 Ca -0.25 -1.80 -0.40 0.00 -0.01 0.00 0.00 57.90 55.44 1j2n n TYR 20 Cb 0.83 -0.23 0.02 0.00 -0.02 0.00 0.00 39.34 39.93 1j2n n TYR 20 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1j2n n ASP 21 N -1.23 7.47 -4.55 7.72 2.03 -1.26 -4.96 116.55 121.77 1j2n n ASP 21 Ca -0.15 -3.61 -0.14 0.00 0.52 0.00 0.00 54.79 51.42 1j2n n ASP 21 Cb 0.46 -1.19 -0.09 0.00 -0.72 0.00 0.00 41.12 39.58 1j2n n ASP 21 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1j2n n ARG 22 N 0.20 0.45 -3.85 -0.67 0.00 -1.26 -4.80 116.66 106.73 1j2n n ARG 22 Ca 0.50 -0.86 -0.07 0.00 -0.00 0.00 0.00 57.85 57.42 1j2n n ARG 22 Cb 0.26 -3.45 -0.01 0.00 -0.00 0.00 0.00 32.46 29.26 1j2n n ARG 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1j2n s ARG 23 N 8.67 1.89 1.11 2.89 6.06 -1.26 -4.74 118.95 133.57 1j2n s ARG 23 Ca 0.94 -1.09 0.00 0.00 -2.50 0.00 0.00 55.73 53.08 1j2n s ARG 23 Cb -0.19 0.61 0.00 0.00 0.06 0.00 0.00 34.95 35.44 1j2n s ARG 23 CO 0.14 -0.87 0.00 0.39 -2.50 0.00 0.00 175.30 172.46 1j2n n GLU 24 N -0.48 0.00 -2.53 5.12 1.02 -1.26 -4.52 120.64 118.00 1j2n n GLU 24 Ca -0.05 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.66 1j2n n GLU 24 Cb 0.59 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.99 1j2n n GLU 24 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1j2n s LEU 25 N 0.00 3.78 0.67 -4.62 1.43 -1.26 -4.87 118.68 113.80 1j2n s LEU 25 Ca 0.00 0.88 0.37 0.00 -1.03 0.00 0.00 54.13 54.36 1j2n s LEU 25 Cb 0.00 -3.54 2.03 0.00 0.03 0.00 0.00 46.19 44.71 1j2n s LEU 25 CO 0.00 -1.13 2.15 1.56 0.23 0.00 0.00 176.35 179.16 1j2n h GLN 26 N 9.13 0.00 -0.56 1.70 4.20 -1.98 -2.52 115.11 125.08 1j2n h GLN 26 Ca -0.24 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.56 1j2n h GLN 26 Cb 1.08 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.79 1j2n h GLN 26 CO 1.07 0.00 0.18 0.00 -0.67 0.00 0.00 178.83 179.41 1j2n h ARG 27 N 0.00 0.34 -0.86 1.46 3.08 -1.92 -0.73 114.38 115.75 1j2n h ARG 27 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1j2n h ARG 27 Cb 0.34 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 1j2n h ARG 27 CO -0.00 0.22 0.54 0.00 -1.07 0.00 0.00 179.97 179.66 1j2n h ARG 28 N 0.35 1.15 -0.02 0.04 -0.00 -1.78 -0.85 114.38 113.26 1j2n h ARG 28 Ca 0.28 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.98 59.64 1j2n h ARG 28 Cb 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 29.97 30.07 1j2n h ARG 28 CO -0.31 0.79 -0.12 1.25 0.00 0.00 0.00 179.97 181.58 1j2n h LEU 29 N 1.18 0.03 -0.66 3.04 6.46 -1.30 -1.00 115.31 123.06 1j2n h LEU 29 Ca 0.31 -0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.92 1j2n h LEU 29 Cb -0.09 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.82 1j2n h LEU 29 CO -0.06 0.16 -0.62 -0.78 -0.62 0.00 0.00 178.44 176.52 1j2n h ASP 30 N 0.03 0.21 -0.46 1.25 1.82 -0.36 -2.80 116.42 116.10 1j2n h ASP 30 Ca 0.01 -0.12 -0.03 0.00 -0.39 0.00 0.00 57.03 56.50 1j2n h ASP 30 Cb 0.24 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.17 1j2n h ASP 30 CO 0.02 0.77 0.17 0.58 -1.61 0.00 0.00 179.24 179.17 1j2n h VAL 31 N 0.13 1.21 -0.34 2.25 2.07 -0.64 0.33 116.25 121.27 1j2n h VAL 31 Ca -0.01 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1j2n h VAL 31 Cb 1.13 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1j2n h VAL 31 CO 0.09 0.25 0.21 -0.33 0.02 0.00 0.00 177.57 177.81 1j2n h GLU 32 N 0.59 0.45 -0.60 1.57 4.39 -1.37 0.36 114.58 119.98 1j2n h GLU 32 Ca 0.15 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1j2n h GLU 32 Cb 0.22 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1j2n h GLU 32 CO -0.01 0.33 0.36 -0.22 -1.16 0.00 0.00 179.01 178.30 1j2n h LYS 33 N 0.44 0.81 -0.83 2.33 3.64 -1.26 -1.48 116.57 120.23 1j2n h LYS 33 Ca 0.12 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1j2n h LYS 33 Cb -0.01 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 31.59 1j2n h LYS 33 CO -0.02 0.59 0.53 2.35 -2.27 0.00 0.00 179.45 180.63 1j2n h TRP 34 N 0.81 1.00 -0.46 1.91 7.01 -0.42 -0.96 115.95 124.84 1j2n h TRP 34 Ca 0.21 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.22 1j2n h TRP 34 Cb -0.02 -0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 26.69 1j2n h TRP 34 CO -0.02 0.59 0.22 0.82 -2.79 0.00 0.00 178.44 177.26 1j2n h ILE 35 N 1.05 1.18 -0.75 2.65 2.04 -0.27 0.84 117.51 124.26 1j2n h ILE 35 Ca 0.32 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1j2n h ILE 35 Cb -0.02 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1j2n h ILE 35 CO -0.10 0.20 0.44 0.44 0.00 0.00 0.00 178.15 179.13 1j2n h ASP 36 N 0.59 0.89 0.01 1.72 3.32 -0.65 0.79 116.42 123.09 1j2n h ASP 36 Ca 0.16 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1j2n h ASP 36 Cb 0.12 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1j2n h ASP 36 CO -0.02 0.69 -0.00 1.23 -1.72 0.00 0.00 179.24 179.42 1j2n h GLY 37 N 1.06 -0.01 0.62 2.75 0.00 -0.62 -2.52 103.07 104.35 1j2n h GLY 37 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 1j2n h GLY 37 CO -0.05 -0.00 -0.04 -0.09 0.00 0.00 0.00 176.54 176.36 1j2n h ARG 38 N -0.86 -0.10 -0.96 4.80 9.65 0.82 -2.34 114.38 125.39 1j2n h ARG 38 Ca -0.00 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 58.94 1j2n h ARG 38 Cb 0.82 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.37 1j2n h ARG 38 CO 0.00 0.27 0.63 1.25 2.80 0.00 0.00 179.97 184.92 1j2n h LEU 39 N -0.48 1.02 -1.84 3.80 5.85 0.46 1.08 115.31 125.20 1j2n h LEU 39 Ca -0.01 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1j2n h LEU 39 Cb 0.41 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1j2n h LEU 39 CO 0.02 0.67 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.33 1j2n h GLU 40 N 1.16 0.00 0.00 1.25 4.39 -1.39 -2.64 114.58 117.35 1j2n h GLU 40 Ca 0.40 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.04 1j2n h GLU 40 Cb 0.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1j2n h GLU 40 CO -0.14 0.13 -1.78 0.39 -1.16 0.00 0.00 179.01 176.45 1j2n n GLU 41 N -3.64 0.65 0.27 2.33 -0.58 0.62 -3.35 120.64 116.94 1j2n n GLU 41 Ca -0.02 -0.07 0.14 0.00 -0.42 0.00 0.00 57.16 56.80 1j2n n GLU 41 Cb 0.25 -1.61 0.75 0.00 -0.57 0.00 0.00 31.44 30.26 1j2n n GLU 41 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1j2n h LEU 42 N 0.00 0.00 0.00 -4.62 3.38 0.14 -3.39 115.31 110.83 1j2n h LEU 42 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1j2n h LEU 42 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1j2n h LEU 42 CO 0.01 0.10 -0.01 -1.22 0.09 0.00 0.00 178.44 177.41 1j2n n TYR 43 N -3.51 0.00 -3.38 1.13 4.01 -1.22 -4.51 117.16 109.68 1j2n n TYR 43 Ca -0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.59 1j2n n TYR 43 Cb 0.24 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 1j2n n TYR 43 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1j2n n ARG 44 N -2.66 -1.55 0.00 -0.72 3.00 -1.21 -4.24 116.66 109.27 1j2n n ARG 44 Ca -0.00 1.24 0.00 0.00 -0.00 0.00 0.00 57.85 59.09 1j2n n ARG 44 Cb 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 32.46 28.43 1j2n n ARG 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1j2n n GLY 45 N -1.47 1.28 3.15 5.14 0.00 -1.26 -5.09 105.19 106.94 1j2n n GLY 45 Ca -0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.94 1j2n n GLY 45 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j2n s ARG 46 N -0.26 0.32 -0.16 1.61 3.52 -1.26 -5.06 118.95 117.66 1j2n s ARG 46 Ca 0.00 0.38 -0.26 0.00 -0.13 0.00 0.00 55.73 55.72 1j2n s ARG 46 Cb 0.00 0.19 -0.23 0.00 -1.56 0.00 0.00 34.95 33.35 1j2n s ARG 46 CO 0.00 -0.53 0.58 0.93 -0.81 0.00 0.00 175.30 175.47 1j2n h GLU 47 N 7.69 0.00 -2.18 5.12 5.08 -1.98 -3.45 114.58 124.85 1j2n h GLU 47 Ca -0.09 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.98 1j2n h GLU 47 Cb 1.18 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.35 1j2n h GLU 47 CO 0.01 0.96 -0.30 0.00 -1.00 0.00 0.00 179.01 178.68 1j2n n ALA 48 N -2.86 -0.41 -0.98 3.43 0.00 -1.26 -0.87 120.51 117.55 1j2n n ALA 48 Ca -0.16 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1j2n n ALA 48 Cb 0.53 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1j2n n ALA 48 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1j2n n ASP 49 N -1.09 -5.12 -1.19 0.00 -0.08 -1.26 -4.77 116.55 103.04 1j2n n ASP 49 Ca -0.15 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.26 1j2n n ASP 49 Cb 0.53 -2.83 -0.06 0.00 2.34 0.00 0.00 41.12 41.11 1j2n n ASP 49 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 1j2n n MET 50 N 0.06 -2.30 -2.39 -0.67 2.81 -0.05 -4.56 117.12 110.02 1j2n n MET 50 Ca 0.00 1.77 -0.34 0.00 -1.81 0.00 0.00 57.70 57.32 1j2n n MET 50 Cb 0.38 -2.88 -0.02 0.00 -0.71 0.00 0.00 33.22 29.99 1j2n n MET 50 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1j2n s PRO 51 N -3.59 3.62 0.63 0.03 0.04 -1.26 -4.91 135.00 129.56 1j2n s PRO 51 Ca 0.00 1.37 0.36 0.00 0.04 0.00 0.00 61.00 62.77 1j2n s PRO 51 Cb 0.00 -2.07 2.07 0.00 0.04 0.00 0.00 34.50 34.55 1j2n s PRO 51 CO 0.00 -0.58 2.28 -0.44 0.04 0.00 0.00 177.00 178.30 1j2n h ASP 52 N 1.26 0.00 -2.34 6.66 3.32 -1.86 -3.45 116.42 120.00 1j2n h ASP 52 Ca -0.49 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.47 1j2n h ASP 52 Cb 1.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1j2n h ASP 52 CO 0.58 0.00 -0.01 1.21 -1.72 0.00 0.00 179.24 179.30 1j2n n GLU 53 N -3.46 0.33 0.00 3.56 2.13 -1.26 -4.96 120.64 116.98 1j2n n GLU 53 Ca -0.02 -1.07 0.00 0.00 0.66 0.00 0.00 57.16 56.73 1j2n n GLU 53 Cb 0.12 1.10 0.00 0.00 0.27 0.00 0.00 31.44 32.93 1j2n n GLU 53 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1j2n n VAL 54 N -0.23 0.00 -2.14 6.31 0.31 -1.26 -4.91 118.33 116.41 1j2n n VAL 54 Ca -0.01 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.93 1j2n n VAL 54 Cb 0.24 -0.15 -0.03 0.00 -0.91 0.00 0.00 33.84 32.99 1j2n n VAL 54 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1j2n s ASN 55 N -2.93 5.50 0.60 4.52 -0.87 -1.26 -4.82 114.94 115.68 1j2n s ASN 55 Ca 0.00 0.27 0.30 0.00 -1.57 0.00 0.00 52.86 51.86 1j2n s ASN 55 Cb 0.00 -2.54 1.71 0.00 -0.02 0.00 0.00 41.25 40.40 1j2n s ASN 55 CO 0.00 -2.21 2.12 0.40 -2.57 0.00 0.00 177.10 174.84 1j2n h ILE 56 N 6.71 0.43 0.00 0.60 1.08 -1.96 0.12 117.51 124.50 1j2n h ILE 56 Ca -0.27 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 1j2n h ILE 56 Cb 1.14 0.85 -0.00 0.00 -3.07 0.00 0.00 36.82 35.74 1j2n h ILE 56 CO 1.21 0.00 -0.05 0.44 -0.69 0.00 0.00 178.15 179.07 1j2n h ASP 57 N 0.00 0.00 0.84 1.72 5.19 -1.95 0.87 116.42 123.09 1j2n h ASP 57 Ca 0.07 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.28 1j2n h ASP 57 Cb 0.44 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.93 1j2n h ASP 57 CO -0.00 0.05 -0.96 -0.08 -3.12 0.00 0.00 179.24 175.13 1j2n h GLU 58 N 0.00 0.06 0.00 3.56 4.57 -1.36 -2.86 114.58 118.55 1j2n h GLU 58 Ca -0.00 -0.09 -0.34 0.00 -1.18 0.00 0.00 59.36 57.75 1j2n h GLU 58 Cb 0.27 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.83 1j2n h GLU 58 CO 0.01 0.97 -2.29 1.28 -1.18 0.00 0.00 179.01 177.80 1j2n n LEU 59 N -3.48 2.66 -0.03 1.64 4.77 -0.88 -4.76 117.00 116.91 1j2n n LEU 59 Ca -0.02 -0.11 -0.01 0.00 -0.03 0.00 0.00 56.01 55.85 1j2n n LEU 59 Cb 0.89 -0.66 -0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1j2n n LEU 59 CO 0.47 0.84 -0.06 0.25 -1.33 0.00 0.00 177.39 177.56 1j2n h LEU 60 N 0.00 0.00 2.10 2.23 5.85 0.58 -3.47 115.31 122.60 1j2n h LEU 60 Ca -0.50 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 57.93 1j2n h LEU 60 Cb 1.82 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.83 1j2n h LEU 60 CO -0.07 0.32 -0.39 1.21 -0.34 0.00 0.00 178.44 179.17 1j2n n GLU 61 N -3.54 -2.61 -0.78 1.25 2.13 -1.08 -4.94 120.64 111.07 1j2n n GLU 61 Ca -0.01 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.42 1j2n n GLU 61 Cb 0.05 -5.26 0.00 0.00 0.27 0.00 0.00 31.44 26.50 1j2n n GLU 61 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1j2n n LEU 62 N -3.08 0.00 -0.03 4.31 7.94 -1.26 -5.08 117.00 119.81 1j2n n LEU 62 Ca -0.12 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.75 1j2n n LEU 62 Cb 0.60 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.51 1j2n n LEU 62 CO 0.26 -0.10 -0.68 -0.62 -1.11 0.00 0.00 177.39 175.14 1j2n n GLU 63 N -0.21 2.76 -1.64 1.96 1.02 -1.26 -5.03 120.64 118.25 1j2n n GLU 63 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 1j2n n GLU 63 Cb 0.00 -1.14 0.08 0.00 -0.02 0.00 0.00 31.44 30.36 1j2n n GLU 63 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1j2n s SER 64 N -3.78 4.45 -0.19 1.62 0.15 -1.26 -4.95 113.70 109.73 1j2n s SER 64 Ca -0.03 2.55 0.13 0.00 0.70 0.00 0.00 55.95 59.29 1j2n s SER 64 Cb 0.02 -2.61 -0.21 0.00 -1.71 0.00 0.00 66.02 61.51 1j2n s SER 64 CO 0.21 -2.10 -0.01 -0.62 1.20 0.00 0.00 173.24 171.92 1j2n n GLU 65 N -2.17 0.90 0.11 5.44 -0.58 -1.26 -4.16 120.64 118.93 1j2n n GLU 65 Ca 0.15 0.03 0.13 0.00 -0.42 0.00 0.00 57.16 57.05 1j2n n GLU 65 Cb 0.49 -1.47 0.64 0.00 -0.57 0.00 0.00 31.44 30.52 1j2n n GLU 65 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1j2n h GLU 66 N 0.00 0.06 0.07 3.49 3.07 -2.02 -0.62 114.58 118.64 1j2n h GLU 66 Ca -0.50 -0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.11 1j2n h GLU 66 Cb 2.05 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.94 1j2n h GLU 66 CO -0.00 0.04 -1.10 1.49 -1.40 0.00 0.00 179.01 178.04 1j2n h GLU 67 N 0.06 0.27 -0.79 2.33 4.81 -1.99 -3.25 114.58 116.03 1j2n h GLU 67 Ca 0.13 -0.39 0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1j2n h GLU 67 Cb 0.46 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.93 1j2n h GLU 67 CO -0.01 1.14 0.52 -0.09 -0.73 0.00 0.00 179.01 179.84 1j2n h ARG 68 N 0.11 0.94 -0.20 1.92 1.12 -1.28 -1.28 114.38 115.71 1j2n h ARG 68 Ca -0.10 -0.06 -0.10 0.00 -1.11 0.00 0.00 59.98 58.62 1j2n h ARG 68 Cb 1.79 -0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 31.52 1j2n h ARG 68 CO 0.18 0.62 -0.29 0.66 -3.11 0.00 0.00 179.97 178.04 1j2n h SER 69 N 0.97 0.40 0.10 -3.80 4.64 -1.52 -2.26 113.55 112.08 1j2n h SER 69 Ca 0.32 -0.14 -0.18 0.00 -0.47 0.00 0.00 61.79 61.32 1j2n h SER 69 Cb 0.05 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1j2n h SER 69 CO -0.09 0.68 -0.66 -0.09 -0.87 0.00 0.00 176.83 175.79 1j2n h ARG 70 N 0.35 0.53 0.00 4.77 9.65 -1.32 -2.56 114.38 125.79 1j2n h ARG 70 Ca 0.05 -0.39 -0.09 0.00 -1.10 0.00 0.00 59.98 58.45 1j2n h ARG 70 Cb 0.69 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.32 1j2n h ARG 70 CO 0.05 1.01 -0.45 0.87 2.80 0.00 0.00 179.97 184.25 1j2n h LYS 71 N 0.38 0.00 -0.09 0.20 1.79 -1.08 -1.88 116.57 115.89 1j2n h LYS 71 Ca -0.02 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.22 1j2n h LYS 71 Cb 1.23 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.89 1j2n h LYS 71 CO 0.12 0.45 -0.84 0.82 -1.08 0.00 0.00 179.45 178.92 1j2n h ILE 72 N 0.00 1.30 -0.09 1.86 2.04 -1.28 -1.62 117.51 119.72 1j2n h ILE 72 Ca -0.00 -2.10 -0.03 0.00 1.00 0.00 0.00 64.86 63.72 1j2n h ILE 72 Cb 0.80 2.13 -0.00 0.00 -0.74 0.00 0.00 36.82 39.00 1j2n h ILE 72 CO 0.06 0.65 -0.07 1.56 0.00 0.00 0.00 178.15 180.35 1j2n h GLN 73 N 0.44 0.22 -0.14 2.37 4.20 -1.29 -1.47 115.11 119.43 1j2n h GLN 73 Ca -0.07 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 1j2n h GLN 73 Cb 1.47 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.24 1j2n h GLN 73 CO 0.17 0.62 -0.12 0.78 -0.67 0.00 0.00 178.83 179.61 1j2n h GLY 74 N -0.18 0.23 0.57 3.46 0.00 -1.42 0.47 103.07 106.19 1j2n h GLY 74 Ca 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1j2n h GLY 74 CO 0.02 0.12 -0.08 -2.00 0.00 0.00 0.00 176.54 174.61 1j2n h LEU 75 N 0.20 -0.18 -1.24 3.11 5.85 -1.14 -3.10 115.31 118.81 1j2n h LEU 75 Ca 0.04 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1j2n h LEU 75 Cb 0.34 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1j2n h LEU 75 CO 0.02 0.25 0.00 -0.11 -0.34 0.00 0.00 178.44 178.26 1j2n n LEU 76 N -4.99 1.80 0.24 2.25 7.94 -0.57 -4.11 117.00 119.57 1j2n n LEU 76 Ca -0.09 -0.90 0.10 0.00 -1.11 0.00 0.00 56.01 54.01 1j2n n LEU 76 Cb 0.25 -0.24 0.69 0.00 0.53 0.00 0.00 43.42 44.65 1j2n n LEU 76 CO 0.31 0.42 1.09 0.50 -1.11 0.00 0.00 177.39 178.60 1j2n h LYS 77 N 1.84 0.00 0.00 1.96 3.64 0.02 -0.29 116.57 123.74 1j2n h LYS 77 Ca 0.00 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 1j2n h LYS 77 Cb 0.48 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1j2n h LYS 77 CO 0.02 0.00 -0.83 1.03 -2.27 0.00 0.00 179.45 177.40 1j2n h SER 78 N 0.00 0.02 -1.01 4.20 0.87 -1.79 -3.45 113.55 112.39 1j2n h SER 78 Ca 0.02 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1j2n h SER 78 Cb 0.10 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1j2n h SER 78 CO -0.00 0.84 0.00 0.00 -0.53 0.00 0.00 176.83 177.14 1j2n n THR 80 N -2.34 0.00 -1.94 0.00 -2.24 -1.26 -4.99 114.28 101.51 1j2n n THR 80 Ca 0.00 0.22 -0.36 0.00 -2.27 0.00 0.00 64.05 61.65 1j2n n THR 80 Cb 0.00 -1.20 0.04 0.00 -2.10 0.00 0.00 70.33 67.07 1j2n n THR 80 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1j2n s ASN 81 N -2.32 5.08 1.00 3.42 0.01 -1.26 -5.01 114.94 115.87 1j2n s ASN 81 Ca 0.00 2.36 -0.14 0.00 -0.71 0.00 0.00 52.86 54.37 1j2n s ASN 81 Cb 0.00 -2.59 0.19 0.00 0.41 0.00 0.00 41.25 39.26 1j2n s ASN 81 CO 0.00 -1.66 1.13 -2.16 -1.51 0.00 0.00 177.10 172.90 1j2n s PRO 82 N -3.44 0.37 -0.25 -0.60 0.04 -1.26 -4.97 135.00 124.90 1j2n s PRO 82 Ca 0.76 0.22 0.14 0.00 0.04 0.00 0.00 61.00 62.16 1j2n s PRO 82 Cb -0.30 -1.76 0.74 0.00 0.04 0.00 0.00 34.50 33.23 1j2n s PRO 82 CO 0.35 -2.70 1.69 0.25 0.04 0.00 0.00 177.00 176.63 1j2n n THR 83 N -4.10 2.71 -0.34 1.26 -2.24 -1.26 -4.58 114.28 105.73 1j2n n THR 83 Ca 0.08 -1.59 0.01 0.00 -2.27 0.00 0.00 64.05 60.28 1j2n n THR 83 Cb 0.59 -0.29 0.14 0.00 -2.10 0.00 0.00 70.33 68.67 1j2n n THR 83 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1j2n h GLU 84 N 3.22 1.10 -0.02 -0.78 4.11 -1.98 0.88 114.58 121.11 1j2n h GLU 84 Ca 0.06 -0.07 -0.17 0.00 0.07 0.00 0.00 59.36 59.25 1j2n h GLU 84 Cb 1.95 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 1j2n h GLU 84 CO 0.49 0.73 -0.76 -2.95 0.07 0.00 0.00 179.01 176.59 1j2n h ASN 85 N 1.14 0.22 -0.08 3.06 -1.07 -1.99 -2.36 115.58 114.49 1j2n h ASN 85 Ca 0.39 -0.16 -0.19 0.00 0.07 0.00 0.00 56.30 56.41 1j2n h ASN 85 Cb 0.08 -0.07 0.01 0.00 -2.07 0.00 0.00 38.32 36.28 1j2n h ASN 85 CO -0.15 0.90 -0.70 0.15 0.07 0.00 0.00 177.43 177.70 1j2n h PHE 86 N 0.11 0.87 -0.17 4.14 3.57 -1.58 -0.08 116.94 123.80 1j2n h PHE 86 Ca -0.03 -0.41 -0.06 0.00 3.53 0.00 0.00 57.97 61.01 1j2n h PHE 86 Cb 1.34 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1j2n h PHE 86 CO 0.02 1.22 -0.15 0.28 -2.23 0.00 0.00 178.31 177.45 1j2n h VAL 87 N 0.26 1.20 0.00 1.41 2.07 0.73 -0.82 116.25 121.11 1j2n h VAL 87 Ca -0.06 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 1j2n h VAL 87 Cb 1.35 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1j2n h VAL 87 CO 0.14 0.28 -0.14 1.56 0.02 0.00 0.00 177.57 179.43 1j2n h GLN 88 N 0.26 0.00 0.00 1.57 1.08 -1.38 -2.45 115.11 114.19 1j2n h GLN 88 Ca 0.05 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1j2n h GLN 88 Cb 0.43 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1j2n h GLN 88 CO 0.03 0.37 -0.00 0.93 -0.95 0.00 0.00 178.83 179.20 1j2n h GLU 89 N -1.00 0.00 0.24 1.46 3.07 -1.05 0.26 114.58 117.56 1j2n h GLU 89 Ca -0.02 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.50 1j2n h GLU 89 Cb 0.44 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.38 1j2n h GLU 89 CO -0.01 0.00 -1.53 1.25 -1.40 0.00 0.00 179.01 177.31 1j2n h LEU 90 N 0.00 0.78 -0.39 1.33 5.85 -1.27 -2.10 115.31 119.51 1j2n h LEU 90 Ca -0.00 -0.89 -0.11 0.00 0.84 0.00 0.00 57.88 57.72 1j2n h LEU 90 Cb 0.00 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1j2n h LEU 90 CO 0.00 1.71 -0.52 0.25 -0.34 0.00 0.00 178.44 179.54 1j2n h LEU 91 N 0.14 0.00 0.00 2.25 6.46 -0.95 -2.28 115.31 120.92 1j2n h LEU 91 Ca -0.27 0.00 -0.24 0.00 -0.12 0.00 0.00 57.88 57.25 1j2n h LEU 91 Cb 2.15 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 42.04 1j2n h LEU 91 CO 0.25 0.52 -1.34 0.58 -0.62 0.00 0.00 178.44 177.84 1j2n h VAL 92 N 0.00 1.20 0.11 1.05 2.07 -0.59 -2.04 116.25 118.05 1j2n h VAL 92 Ca -0.01 -2.95 -0.27 0.00 0.82 0.00 0.00 66.70 64.29 1j2n h VAL 92 Cb 1.24 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 33.59 1j2n h VAL 92 CO 0.07 0.68 -1.26 0.11 0.02 0.00 0.00 177.57 177.19 1j2n h LYS 93 N 0.00 0.24 0.00 1.57 1.79 -1.39 -3.42 116.57 115.36 1j2n h LYS 93 Ca -0.15 -0.41 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 1j2n h LYS 93 Cb 1.86 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 32.67 1j2n h LYS 93 CO 0.10 1.18 -0.23 -0.11 -1.08 0.00 0.00 179.45 179.31 1j2n n LEU 94 N -3.50 0.60 -3.82 2.94 0.00 -0.86 -4.96 117.00 107.39 1j2n n LEU 94 Ca -0.09 0.10 -0.24 0.00 0.00 0.00 0.00 56.01 55.78 1j2n n LEU 94 Cb 1.02 -0.42 0.01 0.00 0.00 0.00 0.00 43.42 44.03 1j2n n LEU 94 CO 0.53 -0.48 -0.11 -1.14 0.00 0.00 0.00 177.39 176.19 1j2n n ARG 95 N -3.09 -4.34 0.00 1.96 0.00 -0.77 -4.70 116.66 105.73 1j2n n ARG 95 Ca -0.03 0.54 0.00 0.00 -0.00 0.00 0.00 57.85 58.35 1j2n n ARG 95 Cb 0.12 -4.97 0.00 0.00 0.00 0.00 0.00 32.46 27.61 1j2n n ARG 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1j2n n GLY 96 N -1.72 -1.67 2.79 5.14 0.00 -1.26 -5.09 105.19 103.37 1j2n n GLY 96 Ca -0.27 0.79 -0.03 0.00 0.00 0.00 0.00 46.02 46.51 1j2n n GLY 96 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j2n n LEU 97 N 0.00 -5.91 -2.90 0.99 7.94 -1.26 -4.56 117.00 111.29 1j2n n LEU 97 Ca 0.00 1.68 -0.02 0.00 -1.11 0.00 0.00 56.01 56.56 1j2n n LEU 97 Cb 0.00 -2.74 0.00 0.00 0.53 0.00 0.00 43.42 41.21 1j2n n LEU 97 CO 0.00 -3.40 -0.45 1.57 -1.11 0.00 0.00 177.39 174.00 1j2n n HIS 98 N 1.70 -2.73 1.82 1.96 -0.00 -1.26 -5.16 115.22 111.55 1j2n n HIS 98 Ca -0.21 1.20 0.15 0.00 -0.00 0.00 0.00 57.72 58.86 1j2n n HIS 98 Cb 0.38 -3.04 0.80 0.00 -0.00 0.00 0.00 29.99 28.12 1j2n n HIS 98 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97