#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4n s ASN 2 N 0.00 4.86 0.58 3.17 0.01 -1.26 -4.53 114.94 117.77 2k4n s ASN 2 Ca 0.00 -0.33 0.33 0.00 -0.71 0.00 0.00 52.86 52.16 2k4n s ASN 2 Cb 0.00 -0.29 1.82 0.00 0.41 0.00 0.00 41.25 43.19 2k4n s ASN 2 CO 0.00 -1.47 2.20 0.28 -1.51 0.00 0.00 177.10 176.60 2k4n h SER 3 N -0.14 0.00 -0.67 -1.22 0.02 -1.97 -1.85 113.55 107.72 2k4n h SER 3 Ca -0.37 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 2k4n h SER 3 Cb 1.28 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 2k4n h SER 3 CO 0.45 0.04 0.36 -0.08 -1.14 0.00 0.00 176.83 176.45 2k4n h GLU 4 N 0.00 0.96 -0.20 3.45 4.81 -2.00 -1.93 114.58 119.67 2k4n h GLU 4 Ca -0.00 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.00 2k4n h GLU 4 Cb 0.16 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2k4n h GLU 4 CO 0.01 0.72 -0.36 0.28 -0.73 0.00 0.00 179.01 178.93 2k4n h VAL 5 N 0.96 1.29 -0.59 0.32 2.07 -1.72 -1.96 116.25 116.63 2k4n h VAL 5 Ca 0.24 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 2k4n h VAL 5 Cb 0.05 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 2k4n h VAL 5 CO -0.04 0.45 0.28 0.40 0.02 0.00 0.00 177.57 178.69 2k4n h ILE 6 N 0.36 1.21 -0.82 4.57 2.04 -1.43 -2.33 117.51 121.11 2k4n h ILE 6 Ca 0.04 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.31 2k4n h ILE 6 Cb 0.80 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 2k4n h ILE 6 CO 0.06 0.24 0.53 0.11 0.00 0.00 0.00 178.15 179.09 2k4n h LYS 7 N 0.80 1.10 -0.23 2.37 1.57 -0.96 -0.96 116.57 120.26 2k4n h LYS 7 Ca 0.20 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 2k4n h LYS 7 Cb 0.12 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 2k4n h LYS 7 CO -0.03 0.74 0.06 0.93 -0.57 0.00 0.00 179.45 180.59 2k4n h GLU 8 N 1.12 0.15 -0.36 3.15 4.39 -0.84 0.27 114.58 122.46 2k4n h GLU 8 Ca 0.30 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.93 2k4n h GLU 8 Cb -0.10 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 2k4n h GLU 8 CO -0.06 0.10 0.00 0.35 -1.16 0.00 0.00 179.01 178.24 2k4n h PHE 9 N 0.16 0.69 -0.35 4.33 3.57 -1.08 -1.25 116.94 123.00 2k4n h PHE 9 Ca 0.11 -0.12 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 2k4n h PHE 9 Cb 0.09 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2k4n h PHE 9 CO -0.14 0.73 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.57 2k4n h LEU 10 N 0.44 0.64 -0.91 0.59 3.38 -0.93 -2.30 115.31 116.22 2k4n h LEU 10 Ca 0.10 -0.33 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 2k4n h LEU 10 Cb 0.45 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2k4n h LEU 10 CO 0.02 0.82 -0.43 -0.08 0.09 0.00 0.00 178.44 178.85 2k4n h GLU 11 N 0.45 0.24 -0.12 1.13 4.81 -0.47 0.33 114.58 120.95 2k4n h GLU 11 Ca 0.10 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2k4n h GLU 11 Cb 0.51 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2k4n h GLU 11 CO 0.02 0.63 0.06 0.22 -0.73 0.00 0.00 179.01 179.22 2k4n h ASP 12 N 0.20 0.15 1.20 1.04 3.58 -1.00 -2.66 116.42 118.92 2k4n h ASP 12 Ca 0.02 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2k4n h ASP 12 Cb 0.85 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.86 2k4n h ASP 12 CO 0.07 0.20 -0.06 2.30 -2.88 0.00 0.00 179.24 178.87 2k4n n ILE 13 N -4.95 0.30 -2.24 2.25 -5.35 -0.89 -4.92 119.36 103.57 2k4n n ILE 13 Ca -0.05 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 2k4n n ILE 13 Cb 0.08 -0.49 0.00 0.00 -1.74 0.00 0.00 39.64 37.49 2k4n n ILE 13 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k4n n GLY 14 N 1.40 0.88 3.60 3.28 0.00 -0.23 -5.03 105.19 109.10 2k4n n GLY 14 Ca 0.06 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 2k4n n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k4n s GLU 15 N -4.49 3.96 -0.52 1.61 2.56 0.99 -5.00 118.70 117.81 2k4n s GLU 15 Ca 0.00 0.27 -0.17 0.00 0.00 0.00 0.00 54.97 55.07 2k4n s GLU 15 Cb 0.00 -3.69 0.09 0.00 2.00 0.00 0.00 34.13 32.53 2k4n s GLU 15 CO 0.00 -0.46 0.53 0.34 -0.56 0.00 0.00 175.26 175.11 2k4n s ASP 16 N 1.60 6.18 0.47 -1.70 2.15 -1.26 -4.56 116.67 119.55 2k4n s ASP 16 Ca 0.22 -1.39 0.06 0.00 0.43 0.00 0.00 52.55 51.87 2k4n s ASP 16 Cb -0.15 -2.24 0.02 0.00 -0.30 0.00 0.00 42.92 40.25 2k4n s ASP 16 CO 0.10 -0.85 0.65 -0.72 -0.17 0.00 0.00 175.17 174.18 2k4n s TYR 17 N 2.04 2.73 -0.59 -5.34 1.13 -1.26 -5.05 117.35 111.00 2k4n s TYR 17 Ca 0.07 -0.31 -0.19 0.00 -1.41 0.00 0.00 57.07 55.24 2k4n s TYR 17 Cb -0.25 -2.49 0.10 0.00 -1.10 0.00 0.00 41.96 38.22 2k4n s TYR 17 CO 0.07 -0.61 0.72 0.42 -2.51 0.00 0.00 175.55 173.63 2k4n s ILE 18 N -2.50 4.79 -0.02 -3.49 1.01 -0.91 -4.97 121.20 115.11 2k4n s ILE 18 Ca 0.56 -0.92 -0.19 0.00 0.00 0.00 0.00 60.65 60.10 2k4n s ILE 18 Cb -0.10 -4.49 -0.05 0.00 0.01 0.00 0.00 42.46 37.82 2k4n s ILE 18 CO 0.35 -1.13 0.52 -0.70 0.00 0.00 0.00 174.94 173.98 2k4n s GLU 19 N 2.78 4.22 0.37 2.79 2.12 -1.26 -0.58 118.70 129.14 2k4n s GLU 19 Ca 0.12 0.60 0.04 0.00 0.36 0.00 0.00 54.97 56.10 2k4n s GLU 19 Cb -0.23 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 2k4n s GLU 19 CO 0.07 0.42 0.16 -1.17 -0.54 0.00 0.00 175.26 174.21 2k4n s LEU 20 N -0.31 1.87 -0.45 2.70 2.96 0.11 -4.99 118.68 120.57 2k4n s LEU 20 Ca 0.28 -1.66 -0.27 0.00 -0.22 0.00 0.00 54.13 52.27 2k4n s LEU 20 Cb -0.17 0.09 -0.06 0.00 0.50 0.00 0.00 46.19 46.55 2k4n s LEU 20 CO 0.15 -0.94 2.27 -1.61 -1.32 0.00 0.00 176.35 174.90 2k4n s GLU 21 N -3.69 2.42 -0.58 1.98 2.02 -1.26 -1.42 118.70 118.17 2k4n s GLU 21 Ca 0.30 1.43 0.00 0.00 0.02 0.00 0.00 54.97 56.72 2k4n s GLU 21 Cb 0.03 -4.50 0.00 0.00 0.10 0.00 0.00 34.13 29.76 2k4n s GLU 21 CO 0.18 -2.92 0.00 0.09 0.02 0.00 0.00 175.26 172.63 2k4n n ASN 22 N 14.45 -4.13 -4.01 -0.19 4.13 -1.26 -5.01 115.26 119.25 2k4n n ASN 22 Ca 0.33 0.14 -0.21 0.00 1.68 0.00 0.00 54.58 56.51 2k4n n ASN 22 Cb 0.52 -2.11 -0.16 0.00 -1.54 0.00 0.00 39.78 36.50 2k4n n ASN 22 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2k4n s GLU 23 N -2.03 1.07 -0.29 3.52 2.02 -0.51 -0.26 118.70 122.23 2k4n s GLU 23 Ca 0.00 -0.32 0.02 0.00 0.02 0.00 0.00 54.97 54.69 2k4n s GLU 23 Cb 0.00 -0.98 0.07 0.00 0.10 0.00 0.00 34.13 33.32 2k4n s GLU 23 CO 0.00 0.10 -0.04 0.42 0.02 0.00 0.00 175.26 175.76 2k4n s ILE 24 N 0.26 2.40 -0.43 -1.63 1.01 0.42 0.04 121.20 123.27 2k4n s ILE 24 Ca -0.05 -1.75 -0.19 0.00 0.00 0.00 0.00 60.65 58.66 2k4n s ILE 24 Cb -0.10 -2.49 0.02 0.00 0.01 0.00 0.00 42.46 39.91 2k4n s ILE 24 CO 0.01 -0.19 0.54 -1.00 0.00 0.00 0.00 174.94 174.30 2k4n s HIS 25 N 1.09 3.12 0.10 3.97 3.76 0.25 -0.27 115.29 127.31 2k4n s HIS 25 Ca -0.03 -0.23 0.05 0.00 -0.15 0.00 0.00 55.06 54.70 2k4n s HIS 25 Cb -0.20 -3.13 -0.04 0.00 1.11 0.00 0.00 32.58 30.32 2k4n s HIS 25 CO -0.05 -0.80 -0.01 -0.51 -0.85 0.00 0.00 174.74 172.53 2k4n s LEU 26 N 2.48 3.42 0.27 0.89 1.43 -0.97 -2.14 118.68 124.06 2k4n s LEU 26 Ca 0.17 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.76 2k4n s LEU 26 Cb -0.16 -2.15 -0.10 0.00 0.03 0.00 0.00 46.19 43.81 2k4n s LEU 26 CO 0.16 0.16 1.46 -0.54 0.23 0.00 0.00 176.35 177.83 2k4n s LYS 27 N -2.38 4.24 0.55 1.70 1.02 -1.26 -4.53 119.74 119.08 2k4n s LYS 27 Ca 0.26 2.36 0.27 0.00 0.02 0.00 0.00 55.97 58.87 2k4n s LYS 27 Cb -0.11 -3.09 1.44 0.00 -0.52 0.00 0.00 37.83 35.56 2k4n s LYS 27 CO 0.18 -0.45 1.98 -1.35 -0.92 0.00 0.00 175.35 174.80 2k4n h PRO 28 N 4.80 0.00 0.60 -1.68 0.11 -1.95 0.23 132.00 134.10 2k4n h PRO 28 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 2k4n h PRO 28 Cb 1.22 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.34 2k4n h PRO 28 CO 0.77 0.00 -0.29 0.93 -0.21 0.00 0.00 178.00 179.20 2k4n h GLU 29 N 0.00 -0.77 -0.43 1.05 5.08 -1.94 -2.13 114.58 115.43 2k4n h GLU 29 Ca 0.24 0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.53 2k4n h GLU 29 Cb 1.04 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2k4n h GLU 29 CO -0.00 -0.49 -0.23 0.28 -1.00 0.00 0.00 179.01 177.57 2k4n h VAL 30 N -0.88 1.27 -0.61 3.13 2.07 -1.63 -3.15 116.25 116.45 2k4n h VAL 30 Ca -0.08 -1.38 0.12 0.00 0.82 0.00 0.00 66.70 66.17 2k4n h VAL 30 Cb 0.64 1.19 -0.09 0.00 -1.52 0.00 0.00 31.29 31.52 2k4n h VAL 30 CO 0.13 0.47 0.12 0.15 0.02 0.00 0.00 177.57 178.46 2k4n h PHE 31 N 0.76 0.19 -0.66 1.57 3.57 -0.53 -1.11 116.94 120.73 2k4n h PHE 31 Ca 0.10 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2k4n h PHE 31 Cb 0.78 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 2k4n h PHE 31 CO 0.05 -0.04 0.43 -0.92 -2.23 0.00 0.00 178.31 175.59 2k4n h TYR 32 N 0.25 0.84 0.00 0.41 3.20 -1.34 0.96 116.97 121.29 2k4n h TYR 32 Ca 0.32 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.20 2k4n h TYR 32 Cb 0.48 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.47 2k4n h TYR 32 CO -0.26 0.54 0.00 0.39 -1.64 0.00 0.00 178.16 177.19 2k4n n GLU 33 N -4.61 0.11 -0.05 1.82 1.02 -0.52 -1.06 120.64 117.34 2k4n n GLU 33 Ca 0.05 0.07 -0.21 0.00 -0.02 0.00 0.00 57.16 57.05 2k4n n GLU 33 Cb 0.03 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.82 2k4n n GLU 33 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2k4n n VAL 34 N -1.44 1.66 0.03 2.62 0.31 -0.63 -3.45 118.33 117.44 2k4n n VAL 34 Ca 0.08 -0.50 -0.10 0.00 -0.01 0.00 0.00 64.34 63.80 2k4n n VAL 34 Cb 0.26 -1.74 -0.04 0.00 -0.91 0.00 0.00 33.84 31.42 2k4n n VAL 34 CO 0.00 0.00 0.00 -0.25 -1.32 0.00 0.00 176.83 175.26 2k4n h TRP 35 N -0.22 -0.37 0.00 3.52 7.01 -0.49 -2.09 115.95 123.31 2k4n h TRP 35 Ca -0.47 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.55 2k4n h TRP 35 Cb 1.84 0.17 0.00 0.00 -2.10 0.00 0.00 29.16 29.07 2k4n h TRP 35 CO 0.06 -0.21 0.00 1.17 -2.79 0.00 0.00 178.44 176.67 2k4n n LYS 36 N -5.28 0.23 -0.05 2.65 4.81 -0.22 -2.42 118.16 117.87 2k4n n LYS 36 Ca -0.04 0.22 -0.14 0.00 -0.87 0.00 0.00 58.31 57.48 2k4n n LYS 36 Cb 0.20 -1.79 -0.07 0.00 0.02 0.00 0.00 35.03 33.39 2k4n n LYS 36 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 2k4n h TYR 37 N 0.00 0.58 -0.01 5.64 3.20 -1.42 -3.21 116.97 121.75 2k4n h TYR 37 Ca 0.00 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.66 2k4n h TYR 37 Cb 0.68 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.84 2k4n h TYR 37 CO 0.00 0.91 -0.26 1.33 -1.64 0.00 0.00 178.16 178.50 2k4n n VAL 38 N -4.39 0.00 0.00 1.81 0.24 -0.96 -5.01 118.33 110.02 2k4n n VAL 38 Ca -0.06 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2k4n n VAL 38 Cb 0.46 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.64 2k4n n VAL 38 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k4n n GLY 39 N 1.34 1.34 0.00 7.63 0.00 -1.03 -4.89 105.19 109.59 2k4n n GLY 39 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2k4n n GLY 39 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k4n n GLU 40 N 0.00 0.00 -1.63 1.61 0.28 -1.02 -4.26 120.64 115.63 2k4n n GLU 40 Ca 0.00 0.00 -0.50 0.00 -0.16 0.00 0.00 57.16 56.50 2k4n n GLU 40 Cb 0.00 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.82 2k4n n GLU 40 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 2k4n n PRO 41 N 0.00 1.50 -1.69 3.44 -0.02 -1.26 -4.82 135.00 132.15 2k4n n PRO 41 Ca 0.00 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 2k4n n PRO 41 Cb 0.00 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.21 2k4n n PRO 41 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2k4n s GLU 42 N 1.04 3.75 -0.11 -0.52 2.02 -1.26 -4.90 118.70 118.73 2k4n s GLU 42 Ca 0.84 2.32 -0.27 0.00 0.02 0.00 0.00 54.97 57.88 2k4n s GLU 42 Cb -0.87 -4.22 -0.02 0.00 0.10 0.00 0.00 34.13 29.12 2k4n s GLU 42 CO 0.46 -1.39 0.89 -0.51 0.02 0.00 0.00 175.26 174.73 2k4n s LEU 43 N 5.88 4.25 0.01 1.80 1.43 -1.26 -4.76 118.68 126.02 2k4n s LEU 43 Ca 0.91 1.37 -0.16 0.00 -1.03 0.00 0.00 54.13 55.21 2k4n s LEU 43 Cb -0.37 -3.37 -0.06 0.00 0.03 0.00 0.00 46.19 42.42 2k4n s LEU 43 CO 0.38 -0.35 0.46 -0.54 0.23 0.00 0.00 176.35 176.52 2k4n s LYS 44 N 1.74 4.03 0.06 1.70 1.02 0.66 -4.90 119.74 124.06 2k4n s LYS 44 Ca 0.44 0.51 0.09 0.00 0.02 0.00 0.00 55.97 57.02 2k4n s LYS 44 Cb -0.18 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 2k4n s LYS 44 CO 0.17 0.64 -0.24 0.95 -0.92 0.00 0.00 175.35 175.95 2k4n s THR 45 N -0.96 2.39 0.02 2.17 -4.23 -1.26 -0.36 115.64 113.41 2k4n s THR 45 Ca 0.25 -1.40 0.03 0.00 -1.18 0.00 0.00 61.69 59.39 2k4n s THR 45 Cb -0.17 -1.98 -0.01 0.00 1.34 0.00 0.00 72.50 71.67 2k4n s THR 45 CO 0.15 0.30 -0.09 -0.72 -0.54 0.00 0.00 174.62 173.71 2k4n s TYR 46 N -0.90 0.82 -0.42 3.99 1.13 -0.30 -5.00 117.35 116.67 2k4n s TYR 46 Ca 0.13 -0.26 -0.18 0.00 -1.41 0.00 0.00 57.07 55.35 2k4n s TYR 46 Cb -0.10 -0.51 0.02 0.00 -1.10 0.00 0.00 41.96 40.27 2k4n s TYR 46 CO 0.04 -0.01 0.50 0.08 -2.51 0.00 0.00 175.55 173.65 2k4n s VAL 47 N -0.59 5.01 -0.26 -3.49 1.01 -1.26 -1.88 120.40 118.93 2k4n s VAL 47 Ca -0.00 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.87 2k4n s VAL 47 Cb -0.06 -4.07 0.05 0.00 0.00 0.00 0.00 36.38 32.30 2k4n s VAL 47 CO 0.00 -0.44 -0.10 -0.51 0.00 0.00 0.00 175.10 174.05 2k4n s ILE 48 N 2.36 2.33 -0.07 2.22 2.07 0.18 -4.96 121.20 125.32 2k4n s ILE 48 Ca 0.16 -1.50 -0.30 0.00 -1.41 0.00 0.00 60.65 57.60 2k4n s ILE 48 Cb -0.16 -2.32 -0.03 0.00 0.13 0.00 0.00 42.46 40.08 2k4n s ILE 48 CO 0.15 0.02 1.14 -1.61 -1.91 0.00 0.00 174.94 172.73 2k4n s GLU 49 N 1.15 4.37 -0.29 3.50 2.02 -1.26 -1.17 118.70 127.03 2k4n s GLU 49 Ca -0.07 1.58 -0.18 0.00 0.02 0.00 0.00 54.97 56.33 2k4n s GLU 49 Cb -0.19 -3.55 -0.02 0.00 0.10 0.00 0.00 34.13 30.46 2k4n s GLU 49 CO -0.05 -0.41 0.50 0.34 0.02 0.00 0.00 175.26 175.66 2k4n s ASP 50 N 1.36 6.39 -0.22 -0.19 2.15 0.80 -4.85 116.67 122.09 2k4n s ASP 50 Ca 0.53 0.36 -0.08 0.00 0.43 0.00 0.00 52.55 53.79 2k4n s ASP 50 Cb -0.22 -2.27 -0.04 0.00 -0.30 0.00 0.00 42.92 40.08 2k4n s ASP 50 CO 0.20 -0.33 0.09 -1.61 -0.17 0.00 0.00 175.17 173.36 2k4n s GLU 51 N 2.32 3.88 -0.14 4.34 2.02 -1.26 -1.85 118.70 128.01 2k4n s GLU 51 Ca 0.20 -0.37 -0.03 0.00 0.02 0.00 0.00 54.97 54.78 2k4n s GLU 51 Cb -0.16 -3.34 0.01 0.00 0.10 0.00 0.00 34.13 30.75 2k4n s GLU 51 CO 0.10 0.05 0.06 -0.89 0.02 0.00 0.00 175.26 174.61 2k4n n ILE 52 N 4.23 -8.00 -3.35 -1.63 5.41 0.10 -4.98 119.36 111.15 2k4n n ILE 52 Ca -0.16 1.26 -0.38 0.00 1.00 0.00 0.00 62.75 64.47 2k4n n ILE 52 Cb 0.52 -5.44 -0.06 0.00 -0.71 0.00 0.00 39.64 33.95 2k4n n ILE 52 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2k4n s VAL 53 N -0.67 4.92 -0.42 1.39 1.01 -1.26 -4.97 120.40 120.41 2k4n s VAL 53 Ca -0.07 1.06 -0.23 0.00 0.00 0.00 0.00 61.98 62.73 2k4n s VAL 53 Cb 0.00 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.58 2k4n s VAL 53 CO 0.44 0.52 0.80 -1.83 0.00 0.00 0.00 175.10 175.03 2k4n s GLU 54 N -0.76 3.56 0.11 2.72 -1.05 -1.26 -4.96 118.70 117.06 2k4n s GLU 54 Ca 0.27 0.10 -0.11 0.00 -0.15 0.00 0.00 54.97 55.08 2k4n s GLU 54 Cb -0.18 -3.88 -0.06 0.00 -0.44 0.00 0.00 34.13 29.57 2k4n s GLU 54 CO 0.16 -1.02 0.46 -1.25 0.95 0.00 0.00 175.26 174.55 2k4n s PRO 55 N 3.28 3.83 0.00 -4.83 0.04 -1.26 -4.98 135.00 131.08 2k4n s PRO 55 Ca 0.31 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.63 2k4n s PRO 55 Cb -0.12 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.47 2k4n s PRO 55 CO 0.21 0.52 0.18 0.41 0.04 0.00 0.00 177.00 178.35 2k4n n GLY 56 N 0.79 0.16 0.13 0.56 0.00 -1.26 -4.83 105.19 100.73 2k4n n GLY 56 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 2k4n n GLY 56 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k4n h GLU 57 N 0.00 0.32 -5.07 1.61 3.07 -2.05 -3.48 114.58 108.99 2k4n h GLU 57 Ca 0.00 -0.55 -0.50 0.00 -0.50 0.00 0.00 59.36 57.81 2k4n h GLU 57 Cb 0.47 0.20 -0.14 0.00 -0.84 0.00 0.00 28.75 28.45 2k4n h GLU 57 CO 0.00 1.26 -0.55 0.71 -1.40 0.00 0.00 179.01 179.03 2k4n s TYR 58 N -2.48 1.80 0.03 4.33 2.02 -1.26 -5.17 117.35 116.62 2k4n s TYR 58 Ca -0.16 -1.18 0.01 0.00 -0.37 0.00 0.00 57.07 55.37 2k4n s TYR 58 Cb 0.03 -1.15 -0.02 0.00 -0.40 0.00 0.00 41.96 40.42 2k4n s TYR 58 CO 0.82 -0.23 -0.06 0.16 -1.57 0.00 0.00 175.55 174.68 2k4n s ASP 59 N -3.53 0.63 0.24 2.29 -4.77 -1.26 -4.96 116.67 105.31 2k4n s ASP 59 Ca 0.30 -0.52 -0.30 0.00 -3.30 0.00 0.00 52.55 48.73 2k4n s ASP 59 Cb 0.05 0.06 -0.09 0.00 -1.09 0.00 0.00 42.92 41.85 2k4n s ASP 59 CO 0.15 -0.23 1.05 -2.16 0.70 0.00 0.00 175.17 174.68 2k4n s PRO 60 N -1.49 4.70 0.21 2.11 0.04 -1.26 -4.97 135.00 134.34 2k4n s PRO 60 Ca -0.12 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.49 2k4n s PRO 60 Cb -0.10 -3.24 0.28 0.00 0.04 0.00 0.00 34.50 31.48 2k4n s PRO 60 CO -0.00 0.27 1.67 -1.35 0.04 0.00 0.00 177.00 177.63 2k4n h PRO 61 N 4.28 0.12 -4.91 0.56 0.11 -2.01 -3.34 132.00 126.81 2k4n h PRO 61 Ca -0.45 -0.01 -0.66 0.00 0.11 0.00 0.00 66.00 64.99 2k4n h PRO 61 Cb 1.21 -0.03 -0.25 0.00 0.11 0.00 0.00 31.00 32.04 2k4n h PRO 61 CO 0.69 0.08 -0.65 -1.21 -0.21 0.00 0.00 178.00 176.70 2k4n s GLU 62 N -6.15 3.39 0.00 1.05 2.02 -1.26 -4.96 118.70 112.80 2k4n s GLU 62 Ca -0.13 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.23 2k4n s GLU 62 Cb 0.18 -3.27 0.09 0.00 0.10 0.00 0.00 34.13 31.23 2k4n s GLU 62 CO 0.74 -0.28 0.69 -1.33 0.02 0.00 0.00 175.26 175.10 2k4n n MET 63 N 4.88 0.62 0.08 1.61 2.81 -1.26 -2.53 117.12 123.33 2k4n n MET 63 Ca -0.16 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 55.85 2k4n n MET 63 Cb 0.50 -1.04 0.26 0.00 -0.71 0.00 0.00 33.22 32.24 2k4n n MET 63 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2k4n n LYS 64 N -0.54 0.28 -4.35 0.03 5.02 -1.26 -4.86 118.16 112.48 2k4n n LYS 64 Ca 0.01 0.14 -0.30 0.00 -2.02 0.00 0.00 58.31 56.14 2k4n n LYS 64 Cb 0.01 -1.73 -0.10 0.00 -0.02 0.00 0.00 35.03 33.18 2k4n n LYS 64 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2k4n s TYR 65 N -3.14 2.74 -0.20 2.13 2.02 -1.05 -5.11 117.35 114.74 2k4n s TYR 65 Ca 0.08 -0.15 -0.05 0.00 -0.37 0.00 0.00 57.07 56.59 2k4n s TYR 65 Cb 0.13 -1.48 0.07 0.00 -0.40 0.00 0.00 41.96 40.28 2k4n s TYR 65 CO 0.67 0.39 0.10 0.99 -1.57 0.00 0.00 175.55 176.13 2k4n s THR 66 N -1.12 -0.07 -0.19 -0.71 2.01 -1.26 -4.96 115.64 109.34 2k4n s THR 66 Ca 0.19 -0.34 -0.29 0.00 0.31 0.00 0.00 61.69 61.57 2k4n s THR 66 Cb -0.11 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 2k4n s THR 66 CO 0.11 -0.41 1.92 0.21 -0.69 0.00 0.00 174.62 175.76 2k4n s ASN 67 N 2.12 6.00 -0.58 3.53 3.84 -1.26 -4.93 114.94 123.67 2k4n s ASN 67 Ca 0.04 1.86 -0.26 0.00 0.21 0.00 0.00 52.86 54.71 2k4n s ASN 67 Cb -0.16 -2.52 0.04 0.00 -0.55 0.00 0.00 41.25 38.05 2k4n s ASN 67 CO -0.17 -1.53 1.08 -0.69 -2.79 0.00 0.00 177.10 173.00 2k4n s VAL 68 N 6.39 4.17 -0.18 -5.21 1.01 -1.26 -4.79 120.40 120.53 2k4n s VAL 68 Ca 0.86 0.56 -0.14 0.00 0.00 0.00 0.00 61.98 63.25 2k4n s VAL 68 Cb -0.31 -4.66 -0.04 0.00 0.00 0.00 0.00 36.38 31.38 2k4n s VAL 68 CO 0.34 -1.28 0.32 -0.54 0.00 0.00 0.00 175.10 173.94 2k4n s LYS 69 N 4.53 4.22 -0.31 2.72 1.02 -1.26 -4.90 119.74 125.76 2k4n s LYS 69 Ca 0.36 0.10 0.01 0.00 0.02 0.00 0.00 55.97 56.46 2k4n s LYS 69 Cb -0.10 -3.47 0.09 0.00 -0.52 0.00 0.00 37.83 33.83 2k4n s LYS 69 CO 0.22 0.13 0.06 0.21 -0.92 0.00 0.00 175.35 175.05 2k4n s LYS 70 N 0.80 1.09 -0.14 1.68 2.20 -1.25 0.01 119.74 124.13 2k4n s LYS 70 Ca 0.16 -1.33 -0.02 0.00 -0.36 0.00 0.00 55.97 54.42 2k4n s LYS 70 Cb -0.14 -2.49 -0.03 0.00 -1.51 0.00 0.00 37.83 33.67 2k4n s LYS 70 CO 0.05 -0.92 -0.06 0.08 -0.36 0.00 0.00 175.35 174.15 2k4n s VAL 71 N 1.34 3.75 -0.63 4.02 1.01 -0.77 -4.88 120.40 124.24 2k4n s VAL 71 Ca 0.08 -0.42 -0.27 0.00 0.00 0.00 0.00 61.98 61.37 2k4n s VAL 71 Cb -0.18 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.58 2k4n s VAL 71 CO -0.17 0.52 1.63 -0.54 0.00 0.00 0.00 175.10 176.54 2k4n s LYS 72 N 0.13 2.91 -0.29 2.72 1.02 -1.26 -0.14 119.74 124.82 2k4n s LYS 72 Ca -0.02 0.37 -0.11 0.00 0.02 0.00 0.00 55.97 56.23 2k4n s LYS 72 Cb -0.14 -4.28 -0.04 0.00 -0.52 0.00 0.00 37.83 32.85 2k4n s LYS 72 CO 0.03 -2.42 0.20 0.42 -0.92 0.00 0.00 175.35 172.66 2k4n s ILE 73 N 7.62 5.26 -0.29 2.17 -1.09 -0.32 -4.94 121.20 129.61 2k4n s ILE 73 Ca 0.56 0.06 -0.18 0.00 -2.23 0.00 0.00 60.65 58.86 2k4n s ILE 73 Cb -0.11 -3.55 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 2k4n s ILE 73 CO 0.20 0.19 0.51 -0.75 -1.23 0.00 0.00 174.94 173.86 2k4n s LYS 74 N 1.74 3.94 0.27 2.79 2.20 -1.26 -0.65 119.74 128.78 2k4n s LYS 74 Ca 0.07 0.18 0.11 0.00 -0.36 0.00 0.00 55.97 55.97 2k4n s LYS 74 Cb -0.16 -3.70 -0.05 0.00 -1.51 0.00 0.00 37.83 32.41 2k4n s LYS 74 CO 0.11 -0.43 -0.16 0.15 -0.36 0.00 0.00 175.35 174.65 2k4n s LYS 75 N 2.34 1.81 0.05 4.03 1.02 -0.79 -3.20 119.74 125.00 2k4n s LYS 75 Ca 0.20 -1.68 0.05 0.00 0.02 0.00 0.00 55.97 54.56 2k4n s LYS 75 Cb -0.16 -1.86 -0.02 0.00 -0.52 0.00 0.00 37.83 35.27 2k4n s LYS 75 CO 0.10 0.34 -0.13 0.54 -0.92 0.00 0.00 175.35 175.28 2k4n s VAL 76 N -2.41 1.04 0.07 3.17 0.11 -0.86 -1.15 120.40 120.36 2k4n s VAL 76 Ca 0.30 -1.13 -0.19 0.00 -2.93 0.00 0.00 61.98 58.03 2k4n s VAL 76 Cb -0.06 -0.98 0.04 0.00 -1.53 0.00 0.00 36.38 33.85 2k4n s VAL 76 CO 0.16 -0.13 0.46 -0.72 -3.33 0.00 0.00 175.10 171.54 2k4n s TYR 77 N -1.07 -0.33 -0.04 1.54 1.13 0.52 -0.54 117.35 118.56 2k4n s TYR 77 Ca -0.01 0.23 0.05 0.00 -1.41 0.00 0.00 57.07 55.93 2k4n s TYR 77 Cb -0.09 0.30 -0.02 0.00 -1.10 0.00 0.00 41.96 41.05 2k4n s TYR 77 CO 0.02 -0.65 -0.18 -0.59 -2.51 0.00 0.00 175.55 171.64 2k4n s PHE 78 N -2.90 2.59 -0.18 -3.49 -0.12 -0.93 -0.24 117.98 112.70 2k4n s PHE 78 Ca -0.03 -0.24 -0.04 0.00 -0.05 0.00 0.00 56.93 56.57 2k4n s PHE 78 Cb -0.00 -1.59 -0.02 0.00 -0.63 0.00 0.00 43.02 40.78 2k4n s PHE 78 CO -0.05 0.12 -0.02 -2.00 -0.05 0.00 0.00 175.22 173.21 2k4n s GLU 79 N -0.72 3.63 0.80 1.99 2.12 -1.26 -1.70 118.70 123.56 2k4n s GLU 79 Ca 0.11 -0.53 -0.05 0.00 0.36 0.00 0.00 54.97 54.87 2k4n s GLU 79 Cb -0.10 -2.99 0.17 0.00 0.26 0.00 0.00 34.13 31.47 2k4n s GLU 79 CO 0.00 0.12 1.09 0.25 -0.54 0.00 0.00 175.26 176.18 2k4n n THR 80 N 3.89 0.00 0.24 -1.70 -2.24 -0.96 -4.95 114.28 108.56 2k4n n THR 80 Ca -0.17 -1.40 0.12 0.00 -2.27 0.00 0.00 64.05 60.33 2k4n n THR 80 Cb 0.52 -1.07 0.54 0.00 -2.10 0.00 0.00 70.33 68.22 2k4n n THR 80 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2k4n h LEU 81 N 0.00 0.00 -0.00 3.22 4.07 -1.90 -2.14 115.31 118.56 2k4n h LEU 81 Ca -0.36 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.60 2k4n h LEU 81 Cb 1.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.94 2k4n h LEU 81 CO 0.34 0.15 0.00 0.47 -1.08 0.00 0.00 178.44 178.32 2k4n n ASP 82 N -3.32 0.00 -1.30 -0.43 9.92 -1.26 -4.86 116.55 115.30 2k4n n ASP 82 Ca 0.00 0.50 -0.12 0.00 -0.53 0.00 0.00 54.79 54.64 2k4n n ASP 82 Cb 0.38 -0.50 -0.01 0.00 -0.64 0.00 0.00 41.12 40.35 2k4n n ASP 82 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2k4n n ASN 83 N -1.50 -3.88 -4.68 -2.24 4.13 -0.80 -5.02 115.26 101.27 2k4n n ASN 83 Ca 0.05 0.03 -0.37 0.00 1.68 0.00 0.00 54.58 55.97 2k4n n ASN 83 Cb 0.26 -3.01 -0.09 0.00 -1.54 0.00 0.00 39.78 35.40 2k4n n ASN 83 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2k4n s VAL 84 N -2.57 5.33 -0.34 2.41 1.01 -1.26 -4.87 120.40 120.10 2k4n s VAL 84 Ca 0.00 0.31 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 2k4n s VAL 84 Cb 0.00 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 2k4n s VAL 84 CO 0.00 0.34 0.23 -0.13 0.00 0.00 0.00 175.10 175.54 2k4n s ARG 85 N 0.96 3.40 -0.71 2.72 0.52 0.64 -2.27 118.95 124.22 2k4n s ARG 85 Ca 0.10 -0.70 -0.25 0.00 -0.52 0.00 0.00 55.73 54.36 2k4n s ARG 85 Cb -0.13 -3.77 0.05 0.00 0.52 0.00 0.00 34.95 31.61 2k4n s ARG 85 CO 0.04 -0.47 1.13 0.08 0.02 0.00 0.00 175.30 176.10 2k4n s VAL 86 N 1.69 4.01 -0.11 3.52 1.01 -0.69 -0.43 120.40 129.41 2k4n s VAL 86 Ca 0.06 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 2k4n s VAL 86 Cb -0.18 -4.81 -0.04 0.00 0.00 0.00 0.00 36.38 31.36 2k4n s VAL 86 CO 0.10 -1.67 0.09 -0.69 0.00 0.00 0.00 175.10 172.92 2k4n s VAL 87 N 4.92 5.04 0.30 2.92 1.01 0.63 -2.19 120.40 133.03 2k4n s VAL 87 Ca 0.29 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.33 2k4n s VAL 87 Cb -0.12 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 2k4n s VAL 87 CO 0.12 0.61 0.33 1.07 0.00 0.00 0.00 175.10 177.24 2k4n n THR 88 N 2.04 0.00 -3.31 3.92 5.66 0.29 -2.30 114.28 120.58 2k4n n THR 88 Ca -0.19 -1.91 -0.39 0.00 -3.05 0.00 0.00 64.05 58.51 2k4n n THR 88 Cb 0.54 1.03 -0.07 0.00 -1.55 0.00 0.00 70.33 70.28 2k4n n THR 88 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k4n s ASP 89 N -3.00 6.46 0.25 1.09 2.15 -1.26 -2.04 116.67 120.31 2k4n s ASP 89 Ca 0.31 0.54 0.02 0.00 0.43 0.00 0.00 52.55 53.85 2k4n s ASP 89 Cb 0.01 -2.26 0.31 0.00 -0.30 0.00 0.00 42.92 40.67 2k4n s ASP 89 CO 0.22 -0.16 1.63 0.22 -0.17 0.00 0.00 175.17 176.91 2k4n h TYR 90 N 7.62 0.52 -0.03 -5.34 3.20 -1.84 -0.29 116.97 120.80 2k4n h TYR 90 Ca -0.33 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 61.39 2k4n h TYR 90 Cb 1.16 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.31 2k4n h TYR 90 CO 0.71 0.78 0.00 1.03 -1.64 0.00 0.00 178.16 179.04 2k4n h SER 91 N 0.37 0.05 -0.55 -2.11 0.87 -1.93 0.42 113.55 110.67 2k4n h SER 91 Ca 0.03 -0.29 -0.09 0.00 -1.23 0.00 0.00 61.79 60.21 2k4n h SER 91 Cb 0.87 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.79 2k4n h SER 91 CO 0.07 0.33 -0.02 -0.33 -0.53 0.00 0.00 176.83 176.36 2k4n h GLU 92 N -0.23 1.00 -0.38 2.24 4.39 -1.92 -2.61 114.58 117.08 2k4n h GLU 92 Ca 0.01 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.39 2k4n h GLU 92 Cb 0.30 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2k4n h GLU 92 CO 0.00 0.99 0.23 0.35 -1.16 0.00 0.00 179.01 179.43 2k4n h PHE 93 N 0.92 0.51 -0.96 4.33 3.57 -0.87 -0.78 116.94 123.65 2k4n h PHE 93 Ca 0.16 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.69 2k4n h PHE 93 Cb 0.55 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 2k4n h PHE 93 CO 0.04 0.36 0.63 1.96 -2.23 0.00 0.00 178.31 179.07 2k4n h GLN 94 N 0.50 1.19 -0.53 1.11 1.08 -0.81 0.11 115.11 117.76 2k4n h GLN 94 Ca 0.14 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2k4n h GLN 94 Cb 0.01 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.15 2k4n h GLN 94 CO -0.03 0.79 0.23 0.87 -0.95 0.00 0.00 178.83 179.74 2k4n h LYS 95 N 1.22 0.77 -0.15 1.46 1.57 -1.03 -2.44 116.57 117.97 2k4n h LYS 95 Ca 0.38 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.92 2k4n h LYS 95 Cb -0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2k4n h LYS 95 CO -0.11 0.66 -0.37 0.82 -0.57 0.00 0.00 179.45 179.87 2k4n h ILE 96 N 0.71 1.30 -0.78 1.86 2.04 -0.39 -1.14 117.51 121.11 2k4n h ILE 96 Ca 0.18 -1.46 0.05 0.00 1.00 0.00 0.00 64.86 64.63 2k4n h ILE 96 Cb 0.16 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 2k4n h ILE 96 CO -0.02 0.44 0.51 -0.07 0.00 0.00 0.00 178.15 179.02 2k4n h LEU 97 N 0.28 0.78 -0.34 1.44 3.38 -0.49 0.27 115.31 120.63 2k4n h LEU 97 Ca 0.03 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 2k4n h LEU 97 Cb 0.79 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2k4n h LEU 97 CO 0.06 0.52 -0.79 0.11 0.09 0.00 0.00 178.44 178.43 2k4n h LYS 98 N 0.89 0.37 -0.26 1.13 1.79 -0.92 0.20 116.57 119.78 2k4n h LYS 98 Ca 0.32 -0.33 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 2k4n h LYS 98 Cb 0.14 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 2k4n h LYS 98 CO -0.10 0.99 0.10 0.87 -1.08 0.00 0.00 179.45 180.22 2k4n h LYS 99 N 0.24 0.39 0.00 3.15 1.57 -0.12 -2.62 116.57 119.18 2k4n h LYS 99 Ca -0.04 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2k4n h LYS 99 Cb 1.39 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.64 2k4n h LYS 99 CO 0.13 0.43 -0.06 -0.09 -0.57 0.00 0.00 179.45 179.30 2k4n h ARG 100 N 0.26 0.00 -1.04 3.15 9.65 -0.51 -3.47 114.38 122.42 2k4n h ARG 100 Ca 0.08 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.91 2k4n h ARG 100 Cb 0.20 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.78 2k4n h ARG 100 CO -0.01 0.06 -0.08 0.41 2.80 0.00 0.00 179.97 183.15 2k4n n GLY 101 N 0.44 0.53 2.63 2.80 0.00 -0.22 -4.95 105.19 106.42 2k4n n GLY 101 Ca 0.02 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 2k4n n GLY 101 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k4n n THR 102 N -3.38 4.53 -3.65 2.61 -1.04 -0.11 -4.79 114.28 108.46 2k4n n THR 102 Ca -0.01 -3.91 -0.03 0.00 -2.04 0.00 0.00 64.05 58.05 2k4n n THR 102 Cb 0.52 -2.33 -0.06 0.00 -1.82 0.00 0.00 70.33 66.63 2k4n n THR 102 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2k4n s LYS 103 N 0.50 0.08 0.28 -2.82 2.20 -1.26 -4.92 119.74 113.81 2k4n s LYS 103 Ca 0.50 0.08 -0.11 0.00 -0.36 0.00 0.00 55.97 56.08 2k4n s LYS 103 Cb 0.14 0.04 -0.08 0.00 -1.51 0.00 0.00 37.83 36.43 2k4n s LYS 103 CO -0.05 -0.01 0.63 -0.51 -0.36 0.00 0.00 175.35 175.04 2k4n s LEU 104 N -0.19 4.09 -0.11 5.43 1.43 -1.26 -5.02 118.68 123.05 2k4n s LEU 104 Ca 0.07 1.04 -0.28 0.00 -1.03 0.00 0.00 54.13 53.93 2k4n s LEU 104 Cb -0.04 -3.83 -0.24 0.00 0.03 0.00 0.00 46.19 42.11 2k4n s LEU 104 CO -0.14 -0.15 0.88 -0.33 0.23 0.00 0.00 176.35 176.84 2k4n h GLU 105 N 2.26 -0.00 0.00 1.70 5.08 -1.59 -3.47 114.58 118.56 2k4n h GLU 105 Ca -0.47 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.52 2k4n h GLU 105 Cb 1.17 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.49 2k4n h GLU 105 CO 0.67 0.85 0.09 0.72 -1.00 0.00 0.00 179.01 180.34 2k4n n HIS 106 N -4.68 -3.03 0.00 4.33 8.25 0.23 -5.05 115.22 115.27 2k4n n HIS 106 Ca -0.09 -1.39 0.00 0.00 -0.26 0.00 0.00 57.72 55.97 2k4n n HIS 106 Cb 0.41 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 30.95 2k4n n HIS 106 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k4n n HIS 107 N -2.54 0.00 0.98 4.41 -0.00 -1.26 -4.68 115.22 112.12 2k4n n HIS 107 Ca 0.13 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.43 2k4n n HIS 107 Cb 0.47 0.00 0.17 0.00 -0.12 0.00 0.00 29.99 30.50 2k4n n HIS 107 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2k4n n HIS 108 N -0.61 0.02 -4.42 1.57 -0.00 -1.26 -4.82 115.22 105.70 2k4n n HIS 108 Ca 0.00 0.01 -0.19 0.00 -0.00 0.00 0.00 57.72 57.53 2k4n n HIS 108 Cb 0.06 -0.21 -0.15 0.00 -0.00 0.00 0.00 29.99 29.69 2k4n n HIS 108 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k4n s HIS 109 N -3.01 0.90 -1.27 1.57 4.02 -1.26 -5.07 115.29 111.16 2k4n s HIS 109 Ca 0.10 -0.17 -0.19 0.00 1.02 0.00 0.00 55.06 55.82 2k4n s HIS 109 Cb 0.17 -0.58 0.03 0.00 -1.02 0.00 0.00 32.58 31.18 2k4n s HIS 109 CO 0.74 -0.02 1.84 -2.39 1.02 0.00 0.00 174.74 175.93 2k4n n HIS 110 N 2.82 4.05 -1.81 1.40 -0.00 -1.26 -4.43 115.22 115.98 2k4n n HIS 110 Ca -0.14 -2.52 0.00 0.00 -0.00 0.00 0.00 57.72 55.06 2k4n n HIS 110 Cb 0.57 -2.60 0.00 0.00 -0.00 0.00 0.00 29.99 27.96 2k4n n HIS 110 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92