#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j9k s GLN 2 N 0.00 3.05 -0.18 0.54 0.74 -1.26 -5.11 119.66 117.44 2j9k s GLN 2 Ca 0.00 -0.83 -0.00 0.00 0.05 0.00 0.00 55.36 54.58 2j9k s GLN 2 Cb 0.00 -2.37 0.01 0.00 1.10 0.00 0.00 33.01 31.75 2j9k s GLN 2 CO 0.00 0.23 -0.15 0.42 -0.55 0.00 0.00 175.29 175.24 2j9k s ILE 3 N 0.24 2.55 0.77 -2.34 1.01 -1.26 -5.12 121.20 117.05 2j9k s ILE 3 Ca -0.14 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.62 2j9k s ILE 3 Cb -0.17 -2.10 0.07 0.00 0.01 0.00 0.00 42.46 40.27 2j9k s ILE 3 CO 0.07 0.50 1.12 0.42 0.00 0.00 0.00 174.94 177.06 2j9k s THR 4 N 1.20 2.30 -0.19 2.92 -4.23 -1.26 -5.02 115.64 111.36 2j9k s THR 4 Ca 0.02 -0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.68 2j9k s THR 4 Cb -0.14 -3.07 0.32 0.00 1.34 0.00 0.00 72.50 70.95 2j9k s THR 4 CO -0.07 -0.09 1.22 0.18 -0.54 0.00 0.00 174.62 175.32 2j9k n LEU 5 N -3.17 2.81 -0.07 4.79 4.77 -1.26 -4.60 117.00 120.27 2j9k n LEU 5 Ca 0.08 -2.83 0.04 0.00 -0.03 0.00 0.00 56.01 53.26 2j9k n LEU 5 Cb 0.60 -0.39 0.38 0.00 -2.33 0.00 0.00 43.42 41.68 2j9k n LEU 5 CO 0.56 0.67 1.19 -0.50 -1.33 0.00 0.00 177.39 177.98 2j9k h TRP 6 N 0.70 0.64 -2.09 -1.77 4.06 -2.06 -3.43 115.95 111.99 2j9k h TRP 6 Ca 0.00 0.02 -0.60 0.00 2.06 0.00 0.00 58.89 60.37 2j9k h TRP 6 Cb 1.04 -0.21 -0.14 0.00 -1.00 0.00 0.00 29.16 28.85 2j9k h TRP 6 CO 0.17 0.39 -0.69 0.15 -3.56 0.00 0.00 178.44 174.90 2j9k s LYS 7 N -5.59 1.76 0.26 0.49 1.02 -1.26 -5.10 119.74 111.31 2j9k s LYS 7 Ca -0.09 -1.90 -0.31 0.00 0.02 0.00 0.00 55.97 53.70 2j9k s LYS 7 Cb 0.18 -1.61 -0.13 0.00 -0.52 0.00 0.00 37.83 35.75 2j9k s LYS 7 CO 0.75 0.14 1.45 0.54 -0.92 0.00 0.00 175.35 177.30 2j9k n ARG 8 N -0.74 2.22 -1.97 1.68 1.74 -1.26 -4.83 116.66 113.49 2j9k n ARG 8 Ca -0.05 0.79 -0.42 0.00 -0.77 0.00 0.00 57.85 57.40 2j9k n ARG 8 Cb 0.63 -2.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 2j9k n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2j9k n PRO 9 N 1.93 2.96 -3.22 5.56 -0.04 -1.26 -4.92 135.00 136.01 2j9k n PRO 9 Ca 0.10 -2.80 -0.39 0.00 -0.04 0.00 0.00 63.50 60.37 2j9k n PRO 9 Cb 0.33 -3.34 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 2j9k n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2j9k s LEU 10 N 2.73 4.24 0.15 1.53 1.43 -1.26 -1.26 118.68 126.23 2j9k s LEU 10 Ca 0.49 0.86 0.02 0.00 -1.03 0.00 0.00 54.13 54.47 2j9k s LEU 10 Cb 0.11 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 2j9k s LEU 10 CO -0.04 -0.10 -0.02 0.68 0.23 0.00 0.00 176.35 177.10 2j9k s VAL 11 N 1.07 0.68 0.04 -1.59 -7.23 0.03 -4.91 120.40 108.49 2j9k s VAL 11 Ca 0.28 -1.97 -0.28 0.00 -1.81 0.00 0.00 61.98 58.20 2j9k s VAL 11 Cb -0.16 -1.99 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 2j9k s VAL 11 CO 0.12 -0.59 0.89 -0.89 -0.31 0.00 0.00 175.10 174.32 2j9k s THR 12 N -3.65 4.73 0.30 5.32 2.01 -1.26 -0.69 115.64 122.39 2j9k s THR 12 Ca 0.20 1.90 0.09 0.00 0.31 0.00 0.00 61.69 64.20 2j9k s THR 12 Cb 0.06 -4.24 -0.06 0.00 0.01 0.00 0.00 72.50 68.27 2j9k s THR 12 CO 0.01 0.27 -0.12 0.27 -0.69 0.00 0.00 174.62 174.36 2j9k s ILE 13 N 0.39 2.11 -0.11 1.82 -4.36 0.66 -4.57 121.20 117.14 2j9k s ILE 13 Ca 0.46 -2.24 0.01 0.00 -0.26 0.00 0.00 60.65 58.61 2j9k s ILE 13 Cb -0.21 -2.44 0.02 0.00 1.25 0.00 0.00 42.46 41.08 2j9k s ILE 13 CO 0.26 -0.32 -0.14 -0.60 0.24 0.00 0.00 174.94 174.38 2j9k s ARG 14 N -3.61 2.11 -0.08 0.37 3.52 0.31 -1.53 118.95 120.04 2j9k s ARG 14 Ca 0.30 -0.51 -0.03 0.00 -0.13 0.00 0.00 55.73 55.36 2j9k s ARG 14 Cb 0.00 -1.86 0.04 0.00 -1.56 0.00 0.00 34.95 31.57 2j9k s ARG 14 CO 0.14 -0.12 0.17 -1.50 -0.81 0.00 0.00 175.30 173.17 2j9k s ILE 15 N 1.17 -0.08 -1.54 4.11 2.07 -0.37 -1.32 121.20 125.24 2j9k s ILE 15 Ca -0.03 0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.41 2j9k s ILE 15 Cb -0.14 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.17 2j9k s ILE 15 CO -0.04 0.08 0.00 0.61 -1.91 0.00 0.00 174.94 173.68 2j9k n GLY 16 N 4.38 0.48 3.01 1.50 0.00 -1.26 -2.10 105.19 111.20 2j9k n GLY 16 Ca -0.23 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2j9k n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j9k n GLY 17 N -0.99 1.35 3.43 -0.02 0.00 -1.26 -5.01 105.19 102.69 2j9k n GLY 17 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 2j9k n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j9k s GLN 18 N -0.00 1.56 0.06 1.61 -1.52 -0.89 -5.06 119.66 115.41 2j9k s GLN 18 Ca 0.00 -1.40 -0.22 0.00 -1.95 0.00 0.00 55.36 51.79 2j9k s GLN 18 Cb 0.00 -1.93 -0.06 0.00 -0.22 0.00 0.00 33.01 30.80 2j9k s GLN 18 CO 0.00 0.43 0.65 -0.51 -0.25 0.00 0.00 175.29 175.61 2j9k s LEU 19 N -2.41 4.49 0.08 2.90 1.43 -1.26 -1.24 118.68 122.67 2j9k s LEU 19 Ca 0.19 1.32 -0.01 0.00 -1.03 0.00 0.00 54.13 54.60 2j9k s LEU 19 Cb -0.09 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 2j9k s LEU 19 CO 0.09 0.16 -0.01 -0.54 0.23 0.00 0.00 176.35 176.28 2j9k s LYS 20 N -0.62 0.73 -0.06 1.70 1.02 -0.58 -4.98 119.74 116.95 2j9k s LYS 20 Ca 0.32 -1.30 -0.17 0.00 0.02 0.00 0.00 55.97 54.85 2j9k s LYS 20 Cb -0.20 0.14 -0.05 0.00 -0.52 0.00 0.00 37.83 37.21 2j9k s LYS 20 CO 0.20 -0.13 0.44 -2.00 -0.92 0.00 0.00 175.35 172.94 2j9k s GLU 21 N -3.94 4.16 0.02 1.68 2.12 -1.26 -0.25 118.70 121.23 2j9k s GLU 21 Ca 0.12 0.42 -0.06 0.00 0.36 0.00 0.00 54.97 55.82 2j9k s GLU 21 Cb 0.07 -3.34 -0.01 0.00 0.26 0.00 0.00 34.13 31.12 2j9k s GLU 21 CO -0.06 0.41 0.10 0.00 -0.54 0.00 0.00 175.26 175.17 2j9k s ALA 22 N -0.19 -0.19 -0.16 6.30 0.00 0.13 -4.38 121.76 123.28 2j9k s ALA 22 Ca 0.24 -0.33 -0.20 0.00 0.00 0.00 0.00 51.96 51.68 2j9k s ALA 22 Cb -0.16 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 2j9k s ALA 22 CO 0.12 -0.24 0.57 -1.17 0.00 0.00 0.00 175.76 175.04 2j9k s LEU 23 N -1.64 4.20 -0.39 0.00 2.96 0.63 -0.79 118.68 123.64 2j9k s LEU 23 Ca -0.12 0.83 -0.29 0.00 -0.22 0.00 0.00 54.13 54.34 2j9k s LEU 23 Cb -0.06 -2.82 0.02 0.00 0.50 0.00 0.00 46.19 43.83 2j9k s LEU 23 CO -0.01 -0.16 1.14 -0.76 -1.32 0.00 0.00 176.35 175.24 2j9k s LEU 24 N 1.38 3.78 -0.38 -0.68 1.43 -0.39 -0.55 118.68 123.28 2j9k s LEU 24 Ca 0.28 0.81 0.03 0.00 -1.03 0.00 0.00 54.13 54.22 2j9k s LEU 24 Cb -0.16 -3.55 0.11 0.00 0.03 0.00 0.00 46.19 42.63 2j9k s LEU 24 CO 0.11 -1.09 0.12 -0.62 0.23 0.00 0.00 176.35 175.11 2j9k s ASP 25 N 2.22 4.38 0.49 2.29 -1.08 -0.36 -4.79 116.67 119.83 2j9k s ASP 25 Ca 0.48 -2.24 0.33 0.00 -0.52 0.00 0.00 52.55 50.61 2j9k s ASP 25 Cb -0.11 -1.38 1.62 0.00 -1.46 0.00 0.00 42.92 41.59 2j9k s ASP 25 CO 0.24 -0.35 2.00 0.71 0.52 0.00 0.00 175.17 178.29 2j9k h THR 26 N 6.22 0.00 -0.10 1.71 1.35 -1.94 -1.88 112.91 118.29 2j9k h THR 26 Ca -0.07 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 2j9k h THR 26 Cb 0.99 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2j9k h THR 26 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 2j9k n GLY 27 N -0.60 -0.29 3.44 5.82 0.00 -1.26 -4.84 105.19 107.47 2j9k n GLY 27 Ca -0.01 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 2j9k n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j9k s ALA 28 N -1.88 2.93 0.21 4.61 0.00 -0.70 -5.00 121.76 121.93 2j9k s ALA 28 Ca 0.29 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 2j9k s ALA 28 Cb 0.15 -1.58 0.16 0.00 0.00 0.00 0.00 23.12 21.85 2j9k s ALA 28 CO 0.23 0.04 1.57 -0.44 0.00 0.00 0.00 175.76 177.17 2j9k h ASP 29 N 7.08 0.68 -2.15 0.00 3.32 -1.88 0.99 116.42 124.46 2j9k h ASP 29 Ca -0.33 -0.30 -0.58 0.00 0.02 0.00 0.00 57.03 55.83 2j9k h ASP 29 Cb 1.19 -0.19 -0.13 0.00 0.22 0.00 0.00 39.33 40.41 2j9k h ASP 29 CO 0.61 1.00 -0.63 -1.81 -1.72 0.00 0.00 179.24 176.69 2j9k s ASP 30 N -6.85 3.45 -0.20 6.45 1.01 -1.26 -2.45 116.67 116.83 2j9k s ASP 30 Ca -0.08 -1.31 -0.06 0.00 0.71 0.00 0.00 52.55 51.81 2j9k s ASP 30 Cb 0.12 -0.31 -0.03 0.00 1.01 0.00 0.00 42.92 43.71 2j9k s ASP 30 CO 0.84 -0.40 0.04 -0.89 0.21 0.00 0.00 175.17 174.96 2j9k s THR 31 N -2.82 4.40 -0.17 -1.27 2.01 -1.26 -3.10 115.64 113.43 2j9k s THR 31 Ca 0.34 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.18 2j9k s THR 31 Cb 0.07 -3.00 0.03 0.00 0.01 0.00 0.00 72.50 69.62 2j9k s THR 31 CO 0.16 0.43 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.72 2j9k s VAL 32 N 0.78 1.51 -0.11 3.82 1.01 -0.20 -0.64 120.40 126.57 2j9k s VAL 32 Ca 0.02 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.29 2j9k s VAL 32 Cb -0.14 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 2j9k s VAL 32 CO 0.02 0.31 -0.21 -0.63 0.00 0.00 0.00 175.10 174.59 2j9k s ILE 33 N 1.49 2.29 0.69 2.22 -1.09 0.56 -0.26 121.20 127.09 2j9k s ILE 33 Ca 0.02 -0.94 -0.17 0.00 -2.23 0.00 0.00 60.65 57.34 2j9k s ILE 33 Cb -0.14 -1.90 -0.05 0.00 -1.58 0.00 0.00 42.46 38.79 2j9k s ILE 33 CO -0.09 0.55 0.51 1.21 -1.23 0.00 0.00 174.94 175.89 2j9k n GLU 34 N 3.51 0.35 -0.91 2.79 4.07 -1.26 -2.48 120.64 126.71 2j9k n GLU 34 Ca -0.19 0.15 -0.30 0.00 -0.06 0.00 0.00 57.16 56.77 2j9k n GLU 34 Cb 0.53 -1.78 -0.00 0.00 -0.06 0.00 0.00 31.44 30.12 2j9k n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2j9k n GLU 35 N -0.51 0.00 -3.12 5.31 4.07 -0.97 -4.64 120.64 120.78 2j9k n GLU 35 Ca 0.10 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 57.03 2j9k n GLU 35 Cb 0.49 -0.70 -0.02 0.00 -0.06 0.00 0.00 31.44 31.16 2j9k n GLU 35 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2j9k n ASN 37 N 1.60 0.29 -4.77 4.31 3.02 -1.26 -5.03 115.26 113.42 2j9k n ASN 37 Ca 0.08 -3.08 -0.41 0.00 -0.03 0.00 0.00 54.58 51.15 2j9k n ASN 37 Cb 0.27 -0.24 -0.02 0.00 -0.61 0.00 0.00 39.78 39.17 2j9k n ASN 37 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2j9k s LEU 38 N -2.27 4.43 0.84 3.41 2.96 -1.26 -5.05 118.68 121.75 2j9k s LEU 38 Ca 0.37 2.65 -0.12 0.00 -0.22 0.00 0.00 54.13 56.81 2j9k s LEU 38 Cb 0.32 -3.65 0.10 0.00 0.50 0.00 0.00 46.19 43.47 2j9k s LEU 38 CO -0.08 -0.51 1.10 -2.16 -1.32 0.00 0.00 176.35 173.38 2j9k s PRO 39 N -1.67 1.69 0.00 0.98 0.04 -1.26 -5.12 135.00 129.66 2j9k s PRO 39 Ca 0.49 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.13 2j9k s PRO 39 Cb -0.39 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2j9k s PRO 39 CO 0.51 -1.89 0.00 0.41 0.04 0.00 0.00 177.00 176.08 2j9k n GLY 40 N -1.91 0.06 0.00 0.56 0.00 -1.26 -5.14 105.19 97.51 2j9k n GLY 40 Ca 0.07 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.42 2j9k n GLY 40 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2j9k n TRP 42 N 0.00 0.00 -4.27 1.61 4.27 -1.26 -5.11 117.44 112.68 2j9k n TRP 42 Ca 0.00 0.00 -0.19 0.00 -3.89 0.00 0.00 57.50 53.42 2j9k n TRP 42 Cb 0.00 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 29.82 2j9k n TRP 42 CO 0.00 0.00 0.00 -1.59 -2.29 0.00 0.00 177.69 173.81 2j9k s LYS 43 N -2.00 0.89 0.47 -2.67 -2.85 -0.71 -4.90 119.74 107.97 2j9k s LYS 43 Ca 0.00 -0.87 -0.23 0.00 -1.00 0.00 0.00 55.97 53.87 2j9k s LYS 43 Cb 0.00 -0.92 -0.07 0.00 -2.06 0.00 0.00 37.83 34.78 2j9k s LYS 43 CO 0.00 0.22 1.21 -1.25 0.10 0.00 0.00 175.35 175.62 2j9k s PRO 44 N -1.46 3.68 0.00 1.78 0.04 -1.26 -0.54 135.00 137.25 2j9k s PRO 44 Ca 0.00 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2j9k s PRO 44 Cb -0.09 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 32.03 2j9k s PRO 44 CO 0.02 -0.64 0.00 1.17 0.04 0.00 0.00 177.00 177.58 2j9k n LYS 45 N -0.50 0.00 -3.64 4.56 4.81 -0.64 -4.86 118.16 117.90 2j9k n LYS 45 Ca 0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.49 2j9k n LYS 45 Cb 0.47 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.48 2j9k n LYS 45 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 2j9k s ILE 47 N 0.43 0.00 0.24 3.15 -4.36 -0.47 -0.98 121.20 119.21 2j9k s ILE 47 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 60.65 60.41 2j9k s ILE 47 Cb 0.00 -1.00 -0.05 0.00 1.25 0.00 0.00 42.46 42.66 2j9k s ILE 47 CO 0.00 0.00 0.05 -0.83 0.24 0.00 0.00 174.94 174.40 2j9k s GLY 48 N -1.23 1.64 0.00 6.27 0.00 -1.26 -1.00 107.32 111.74 2j9k s GLY 48 Ca 0.09 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 43.00 2j9k s GLY 48 CO -0.07 -1.62 0.00 0.61 0.00 0.00 0.00 173.10 172.02 2j9k n GLY 49 N -0.44 1.37 3.74 0.20 0.00 -0.43 -4.98 105.19 104.65 2j9k n GLY 49 Ca -0.03 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 2j9k n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j9k s ILE 50 N -0.94 2.35 0.00 -0.61 1.01 -1.26 -1.63 121.20 120.12 2j9k s ILE 50 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.93 2j9k s ILE 50 Cb 0.00 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.29 2j9k s ILE 50 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.59 2j9k n GLY 51 N 2.57 1.01 0.00 6.18 0.00 -1.26 -4.94 105.19 108.76 2j9k n GLY 51 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2j9k n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j9k n GLY 52 N -2.00 -0.14 3.67 -0.02 0.00 -0.65 -5.04 105.19 101.01 2j9k n GLY 52 Ca 0.00 -2.05 -0.28 0.00 0.00 0.00 0.00 46.02 43.69 2j9k n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j9k s PHE 53 N 0.00 2.89 0.16 1.61 0.40 -1.26 -1.32 117.98 120.47 2j9k s PHE 53 Ca 0.00 -0.10 0.06 0.00 -0.60 0.00 0.00 56.93 56.29 2j9k s PHE 53 Cb 0.00 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.04 2j9k s PHE 53 CO 0.00 0.49 -0.13 0.96 0.70 0.00 0.00 175.22 177.24 2j9k s ILE 54 N -1.52 1.41 0.07 0.64 -4.36 -0.17 -4.97 121.20 112.30 2j9k s ILE 54 Ca 0.26 -2.01 -0.25 0.00 -0.26 0.00 0.00 60.65 58.39 2j9k s ILE 54 Cb -0.10 -1.82 -0.06 0.00 1.25 0.00 0.00 42.46 41.73 2j9k s ILE 54 CO 0.18 -0.60 0.78 -0.54 0.24 0.00 0.00 174.94 175.01 2j9k s LYS 55 N -3.38 4.52 0.16 0.37 1.02 -1.26 -1.37 119.74 119.80 2j9k s LYS 55 Ca 0.16 1.11 0.01 0.00 0.02 0.00 0.00 55.97 57.28 2j9k s LYS 55 Cb -0.01 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 2j9k s LYS 55 CO 0.03 0.33 0.01 0.14 -0.92 0.00 0.00 175.35 174.94 2j9k s VAL 56 N -0.23 0.55 -0.23 3.17 -7.23 -0.15 -4.58 120.40 111.71 2j9k s VAL 56 Ca 0.39 -1.96 -0.09 0.00 -1.81 0.00 0.00 61.98 58.50 2j9k s VAL 56 Cb -0.21 -2.10 -0.05 0.00 0.56 0.00 0.00 36.38 34.58 2j9k s VAL 56 CO 0.24 -0.48 0.13 -0.13 -0.31 0.00 0.00 175.10 174.55 2j9k s ARG 57 N -3.94 4.00 -0.29 4.82 0.52 0.09 -1.61 118.95 122.53 2j9k s ARG 57 Ca 0.24 -0.31 -0.15 0.00 -0.52 0.00 0.00 55.73 54.98 2j9k s ARG 57 Cb 0.06 -3.44 -0.03 0.00 0.52 0.00 0.00 34.95 32.07 2j9k s ARG 57 CO 0.03 0.08 0.38 -1.14 0.02 0.00 0.00 175.30 174.67 2j9k s GLN 58 N 0.97 3.91 -0.11 3.54 0.74 0.30 -0.43 119.66 128.58 2j9k s GLN 58 Ca 0.06 -0.05 -0.02 0.00 0.05 0.00 0.00 55.36 55.40 2j9k s GLN 58 Cb -0.13 -3.69 -0.03 0.00 1.10 0.00 0.00 33.01 30.25 2j9k s GLN 58 CO 0.03 -0.34 -0.02 0.71 -0.55 0.00 0.00 175.29 175.12 2j9k s TYR 59 N 2.08 3.08 0.17 1.67 1.51 -0.22 -1.74 117.35 123.90 2j9k s TYR 59 Ca 0.15 0.00 0.06 0.00 -1.01 0.00 0.00 57.07 56.27 2j9k s TYR 59 Cb -0.16 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 39.81 2j9k s TYR 59 CO 0.10 0.27 0.08 -0.51 -1.11 0.00 0.00 175.55 174.38 2j9k s ASP 60 N -0.41 5.21 -1.33 2.29 1.01 -1.26 -1.23 116.67 120.96 2j9k s ASP 60 Ca 0.07 -0.24 -0.01 0.00 0.71 0.00 0.00 52.55 53.08 2j9k s ASP 60 Cb -0.12 -1.27 0.01 0.00 1.01 0.00 0.00 42.92 42.55 2j9k s ASP 60 CO 0.02 0.08 0.69 0.00 0.21 0.00 0.00 175.17 176.17 2j9k n GLN 61 N -0.25 -4.78 -3.54 8.23 1.13 -1.12 -4.89 117.38 112.16 2j9k n GLN 61 Ca -0.09 0.60 -0.38 0.00 -1.94 0.00 0.00 57.00 55.19 2j9k n GLN 61 Cb 0.55 -5.13 -0.09 0.00 0.11 0.00 0.00 30.24 25.67 2j9k n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2j9k s ILE 62 N -3.68 5.28 0.25 5.09 -1.09 -0.12 -4.74 121.20 122.20 2j9k s ILE 62 Ca 0.05 0.35 -0.30 0.00 -2.23 0.00 0.00 60.65 58.52 2j9k s ILE 62 Cb -0.02 -3.59 -0.10 0.00 -1.58 0.00 0.00 42.46 37.17 2j9k s ILE 62 CO 0.82 0.27 1.46 -2.84 -1.23 0.00 0.00 174.94 173.42 2j9k s PRO 63 N 1.49 4.25 -0.08 2.79 0.02 -1.26 -1.81 135.00 140.40 2j9k s PRO 63 Ca 0.11 2.33 -0.02 0.00 0.02 0.00 0.00 61.00 63.44 2j9k s PRO 63 Cb -0.15 -3.10 0.03 0.00 0.02 0.00 0.00 34.50 31.30 2j9k s PRO 63 CO 0.08 -0.45 0.02 0.08 -0.33 0.00 0.00 177.00 176.40 2j9k s VAL 64 N 0.03 0.26 -0.17 3.83 1.01 -0.20 -4.41 120.40 120.76 2j9k s VAL 64 Ca 0.60 0.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.59 2j9k s VAL 64 Cb -0.43 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 2j9k s VAL 64 CO 0.43 0.19 0.21 -0.70 0.00 0.00 0.00 175.10 175.23 2j9k s GLU 65 N 2.01 4.13 -0.22 2.72 2.12 -0.43 -0.85 118.70 128.18 2j9k s GLU 65 Ca 0.04 -0.05 0.11 0.00 0.36 0.00 0.00 54.97 55.43 2j9k s GLU 65 Cb -0.13 -3.39 0.43 0.00 0.26 0.00 0.00 34.13 31.30 2j9k s GLU 65 CO -0.05 0.33 1.21 -0.89 -0.54 0.00 0.00 175.26 175.32 2j9k n ILE 66 N 3.33 2.17 0.00 -3.70 5.41 -1.26 -0.53 119.36 124.78 2j9k n ILE 66 Ca -0.14 -3.35 0.00 0.00 1.00 0.00 0.00 62.75 60.26 2j9k n ILE 66 Cb 0.52 -0.35 0.00 0.00 -0.71 0.00 0.00 39.64 39.10 2j9k n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2j9k n GLY 68 N -0.97 0.00 3.56 7.39 0.00 -1.26 -4.74 105.19 109.17 2j9k n GLY 68 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 2j9k n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2j9k s HIS 69 N 0.00 3.19 0.25 1.61 4.02 -1.26 -5.07 115.29 118.04 2j9k s HIS 69 Ca 0.00 -0.04 -0.30 0.00 1.02 0.00 0.00 55.06 55.74 2j9k s HIS 69 Cb 0.00 -2.30 -0.09 0.00 -1.02 0.00 0.00 32.58 29.17 2j9k s HIS 69 CO 0.00 -0.17 0.98 0.15 1.02 0.00 0.00 174.74 176.72 2j9k s LYS 70 N 1.51 4.80 0.17 1.40 1.02 -1.26 -4.39 119.74 122.98 2j9k s LYS 70 Ca 0.07 1.56 -0.00 0.00 0.02 0.00 0.00 55.97 57.61 2j9k s LYS 70 Cb -0.15 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 2j9k s LYS 70 CO 0.07 0.44 0.06 0.00 -0.92 0.00 0.00 175.35 175.00 2j9k s ALA 71 N -1.19 1.13 -0.20 5.17 0.00 -0.03 -4.74 121.76 121.89 2j9k s ALA 71 Ca 0.42 -1.58 -0.11 0.00 0.00 0.00 0.00 51.96 50.69 2j9k s ALA 71 Cb -0.27 0.88 0.07 0.00 0.00 0.00 0.00 23.12 23.79 2j9k s ALA 71 CO 0.34 -0.45 0.49 -1.50 0.00 0.00 0.00 175.76 174.63 2j9k s ILE 72 N -3.93 -0.10 -0.77 0.00 2.07 -1.26 -1.03 121.20 116.18 2j9k s ILE 72 Ca 0.28 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.59 2j9k s ILE 72 Cb 0.07 -0.72 0.00 0.00 0.13 0.00 0.00 42.46 41.94 2j9k s ILE 72 CO 0.05 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.72 2j9k n GLY 73 N 4.40 -0.68 3.73 1.50 0.00 -0.75 -4.85 105.19 108.54 2j9k n GLY 73 Ca -0.21 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 2j9k n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j9k s THR 74 N -3.00 3.60 -0.07 2.61 2.01 -1.26 -0.94 115.64 118.59 2j9k s THR 74 Ca 0.00 1.25 0.03 0.00 0.31 0.00 0.00 61.69 63.29 2j9k s THR 74 Cb 0.00 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.71 2j9k s THR 74 CO 0.00 0.15 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.22 2j9k s VAL 75 N 0.46 1.49 -0.19 3.82 1.01 -0.36 -4.49 120.40 122.14 2j9k s VAL 75 Ca 0.57 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 2j9k s VAL 75 Cb -0.33 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 2j9k s VAL 75 CO 0.34 0.43 0.10 -0.76 0.00 0.00 0.00 175.10 175.21 2j9k s LEU 76 N 0.39 4.07 -0.14 3.92 1.43 0.18 -1.05 118.68 127.49 2j9k s LEU 76 Ca -0.13 0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2j9k s LEU 76 Cb -0.15 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 2j9k s LEU 76 CO 0.05 0.20 -0.12 -0.69 0.23 0.00 0.00 176.35 176.02 2j9k s VAL 77 N 0.23 3.10 -0.01 -1.59 1.01 0.42 -0.32 120.40 123.23 2j9k s VAL 77 Ca 0.07 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.14 2j9k s VAL 77 Cb -0.12 -2.31 0.09 0.00 0.00 0.00 0.00 36.38 34.04 2j9k s VAL 77 CO -0.01 0.52 1.20 0.61 0.00 0.00 0.00 175.10 177.42 2j9k n GLY 78 N 3.62 0.25 3.61 4.51 0.00 -1.03 -0.73 105.19 115.41 2j9k n GLY 78 Ca -0.18 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 2j9k n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2j9k s PRO 79 N -2.01 3.61 0.00 1.61 0.04 -1.26 -2.28 135.00 134.71 2j9k s PRO 79 Ca 0.28 1.14 -0.01 0.00 0.04 0.00 0.00 61.00 62.46 2j9k s PRO 79 Cb -0.01 -4.03 -0.01 0.00 0.04 0.00 0.00 34.50 30.49 2j9k s PRO 79 CO -0.00 -1.52 0.01 -0.08 0.04 0.00 0.00 177.00 175.44 2j9k s THR 80 N 5.49 0.04 0.23 1.26 -1.32 -1.26 -5.00 115.64 115.08 2j9k s THR 80 Ca 0.65 -0.37 0.29 0.00 -1.21 0.00 0.00 61.69 61.04 2j9k s THR 80 Cb -0.17 -0.14 0.31 0.00 -1.51 0.00 0.00 72.50 70.99 2j9k s THR 80 CO 0.31 -0.20 1.96 1.55 -2.21 0.00 0.00 174.62 176.03 2j9k h PRO 81 N 5.49 0.00 -3.56 7.08 0.13 -2.00 -3.44 132.00 135.71 2j9k h PRO 81 Ca -0.27 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.63 2j9k h PRO 81 Cb 1.21 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.06 2j9k h PRO 81 CO 0.46 0.12 -0.65 0.08 -0.23 0.00 0.00 178.00 177.78 2j9k s VAL 82 N -3.82 -0.01 0.26 1.56 1.01 -1.26 -5.11 120.40 113.03 2j9k s VAL 82 Ca -0.00 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 2j9k s VAL 82 Cb 0.11 -0.10 -0.10 0.00 0.00 0.00 0.00 36.38 36.29 2j9k s VAL 82 CO 0.58 0.01 1.36 0.20 0.00 0.00 0.00 175.10 177.25 2j9k s ASN 83 N 0.20 6.77 -0.15 3.32 0.01 -1.26 -4.77 114.94 119.06 2j9k s ASN 83 Ca -0.01 2.59 0.01 0.00 -0.71 0.00 0.00 52.86 54.73 2j9k s ASN 83 Cb -0.02 -2.63 0.02 0.00 0.41 0.00 0.00 41.25 39.03 2j9k s ASN 83 CO -0.01 -0.59 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.19 2j9k s ILE 84 N -0.32 1.79 -0.37 0.60 1.01 0.63 -0.27 121.20 124.28 2j9k s ILE 84 Ca 0.55 -0.79 -0.18 0.00 0.00 0.00 0.00 60.65 60.24 2j9k s ILE 84 Cb -0.39 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.44 2j9k s ILE 84 CO 0.44 0.50 0.49 -0.63 0.00 0.00 0.00 174.94 175.74 2j9k s ILE 85 N 1.25 5.04 0.16 2.92 -1.09 0.29 -1.03 121.20 128.73 2j9k s ILE 85 Ca 0.01 0.14 0.02 0.00 -2.23 0.00 0.00 60.65 58.60 2j9k s ILE 85 Cb -0.14 -3.98 0.02 0.00 -1.58 0.00 0.00 42.46 36.79 2j9k s ILE 85 CO -0.09 -0.27 0.21 0.61 -1.23 0.00 0.00 174.94 174.17 2j9k n GLY 86 N 4.91 2.05 0.23 6.18 0.00 -1.18 -1.22 105.19 116.16 2j9k n GLY 86 Ca -0.06 -2.16 0.08 0.00 0.00 0.00 0.00 46.02 43.88 2j9k n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2j9k h ARG 87 N 0.00 0.00 -0.75 1.61 3.08 -0.76 -0.94 114.38 116.62 2j9k h ARG 87 Ca -0.08 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.07 2j9k h ARG 87 Cb 0.34 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 2j9k h ARG 87 CO 0.11 0.21 0.49 -2.95 -1.07 0.00 0.00 179.97 176.76 2j9k h ASN 88 N 0.00 0.58 0.04 7.04 -1.07 -1.74 -1.94 115.58 118.49 2j9k h ASN 88 Ca -0.00 0.02 -0.37 0.00 0.07 0.00 0.00 56.30 56.02 2j9k h ASN 88 Cb 0.44 -0.10 -0.07 0.00 -2.07 0.00 0.00 38.32 36.51 2j9k h ASN 88 CO 0.03 0.34 -2.34 0.18 0.07 0.00 0.00 177.43 175.71 2j9k n LEU 89 N -4.50 0.57 -0.25 6.14 4.77 -0.78 -4.32 117.00 118.64 2j9k n LEU 89 Ca 0.13 0.02 0.03 0.00 -0.03 0.00 0.00 56.01 56.15 2j9k n LEU 89 Cb 0.35 0.23 0.26 0.00 -2.33 0.00 0.00 43.42 41.92 2j9k n LEU 89 CO 0.33 0.56 1.24 -0.07 -1.33 0.00 0.00 177.39 178.12 2j9k h LEU 90 N 0.00 0.86 -1.25 2.23 3.38 -1.02 -1.13 115.31 118.38 2j9k h LEU 90 Ca -0.53 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 2j9k h LEU 90 Cb 2.17 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.71 2j9k h LEU 90 CO 0.02 0.59 0.05 0.71 0.09 0.00 0.00 178.44 179.89 2j9k h THR 91 N 0.99 1.19 0.00 0.22 1.35 -1.57 -2.74 112.91 112.36 2j9k h THR 91 Ca 0.32 -0.71 -0.03 0.00 -0.55 0.00 0.00 66.41 65.44 2j9k h THR 91 Cb 0.05 0.86 -0.00 0.00 -1.73 0.00 0.00 68.15 67.33 2j9k h THR 91 CO -0.10 0.25 -0.17 1.56 -0.25 0.00 0.00 175.52 176.82 2j9k h GLN 92 N 0.54 0.00 -0.63 4.72 4.20 -1.40 -2.64 115.11 119.90 2j9k h GLN 92 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2j9k h GLN 92 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2j9k h GLN 92 CO 0.00 0.17 0.00 0.44 -0.67 0.00 0.00 178.83 178.77 2j9k n ILE 93 N -3.33 0.84 -1.50 2.54 -5.35 -1.05 -4.93 119.36 106.59 2j9k n ILE 93 Ca 0.00 -0.90 -0.01 0.00 -0.27 0.00 0.00 62.75 61.57 2j9k n ILE 93 Cb 0.40 0.61 -0.00 0.00 -1.74 0.00 0.00 39.64 38.90 2j9k n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2j9k n GLY 94 N 1.61 -3.40 0.00 3.28 0.00 -1.00 -5.10 105.19 100.58 2j9k n GLY 94 Ca 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2j9k n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2j9k n THR 96 N 0.35 0.00 -3.57 2.61 -2.24 -1.26 -5.05 114.28 105.12 2j9k n THR 96 Ca -0.04 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.36 2j9k n THR 96 Cb 0.07 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.24 2j9k n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2j9k s LEU 97 N 0.00 4.45 -0.02 3.22 1.43 -1.26 -5.10 118.68 121.41 2j9k s LEU 97 Ca 0.00 0.86 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 2j9k s LEU 97 Cb 0.00 -2.49 0.02 0.00 0.03 0.00 0.00 46.19 43.75 2j9k s LEU 97 CO 0.00 0.33 0.00 0.20 0.23 0.00 0.00 176.35 177.11 2j9k s ASN 98 N -1.00 0.22 0.00 2.29 0.01 -1.26 -5.30 114.94 109.91 2j9k s ASN 98 Ca 0.22 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.36 2j9k s ASN 98 Cb -0.16 -0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.41 2j9k s ASN 98 CO 0.11 -0.06 0.00 2.22 -1.51 0.00 0.00 177.10 177.86