#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4n n ASN 2 N 0.00 1.84 0.03 6.12 3.02 -1.26 -4.20 115.26 120.80 2k4n n ASN 2 Ca 0.00 -2.86 0.13 0.00 -0.03 0.00 0.00 54.58 51.82 2k4n n ASN 2 Cb 0.00 0.69 0.59 0.00 -0.61 0.00 0.00 39.78 40.45 2k4n n ASN 2 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2k4n h SER 3 N 1.27 0.17 0.06 6.41 4.64 -1.95 -1.31 113.55 122.84 2k4n h SER 3 Ca -0.30 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.04 2k4n h SER 3 Cb 1.05 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 2k4n h SER 3 CO 0.48 0.11 -0.16 -0.08 -0.87 0.00 0.00 176.83 176.31 2k4n h GLU 4 N 0.20 -0.29 -0.66 4.77 4.81 -1.99 -0.76 114.58 120.65 2k4n h GLU 4 Ca 0.20 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2k4n h GLU 4 Cb 0.53 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2k4n h GLU 4 CO -0.03 -0.19 0.42 0.28 -0.73 0.00 0.00 179.01 178.76 2k4n h VAL 5 N -0.30 1.18 -0.65 0.32 2.07 -1.65 -1.26 116.25 115.96 2k4n h VAL 5 Ca 0.03 -0.36 0.11 0.00 0.82 0.00 0.00 66.70 67.30 2k4n h VAL 5 Cb 0.34 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 30.26 2k4n h VAL 5 CO -0.12 0.18 0.25 0.40 0.02 0.00 0.00 177.57 178.30 2k4n h ILE 6 N 0.90 0.74 -0.72 4.57 2.04 -1.12 -1.00 117.51 122.92 2k4n h ILE 6 Ca 0.24 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 2k4n h ILE 6 Cb -0.07 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 2k4n h ILE 6 CO -0.05 0.08 0.34 0.11 0.00 0.00 0.00 178.15 178.63 2k4n h LYS 7 N 0.42 1.04 -0.76 2.37 1.57 -0.11 0.34 116.57 121.44 2k4n h LYS 7 Ca 0.34 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 58.99 2k4n h LYS 7 Cb 0.45 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 2k4n h LYS 7 CO -0.34 0.82 0.48 0.93 -0.57 0.00 0.00 179.45 180.77 2k4n h GLU 8 N 1.00 0.91 -0.42 3.15 5.08 -0.54 0.17 114.58 123.93 2k4n h GLU 8 Ca 0.25 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2k4n h GLU 8 Cb 0.13 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2k4n h GLU 8 CO -0.03 0.60 0.06 0.35 -1.00 0.00 0.00 179.01 178.99 2k4n h PHE 9 N 0.94 0.74 -0.63 4.33 3.57 -0.58 -0.32 116.94 124.98 2k4n h PHE 9 Ca 0.30 -0.11 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 2k4n h PHE 9 Cb 0.01 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 2k4n h PHE 9 CO -0.03 0.72 0.08 -0.07 -2.23 0.00 0.00 178.31 176.77 2k4n h LEU 10 N 0.55 1.01 -0.52 0.59 3.38 -0.51 -1.44 115.31 118.35 2k4n h LEU 10 Ca 0.13 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 2k4n h LEU 10 Cb 0.38 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2k4n h LEU 10 CO 0.01 1.02 -0.11 -0.08 0.09 0.00 0.00 178.44 179.37 2k4n h GLU 11 N 0.98 0.99 -0.67 1.13 4.81 -0.53 0.29 114.58 121.58 2k4n h GLU 11 Ca 0.19 -0.37 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 2k4n h GLU 11 Cb 0.46 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 2k4n h GLU 11 CO 0.02 1.05 0.44 0.22 -0.73 0.00 0.00 179.01 180.01 2k4n h ASP 12 N 0.86 0.77 -0.31 1.04 3.58 -0.78 -2.56 116.42 119.01 2k4n h ASP 12 Ca 0.13 -0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.42 2k4n h ASP 12 Cb 0.67 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.53 2k4n h ASP 12 CO 0.05 0.56 -0.38 0.40 -2.88 0.00 0.00 179.24 176.98 2k4n h ILE 13 N 0.90 1.29 -0.06 2.25 2.04 -1.09 -3.48 117.51 119.36 2k4n h ILE 13 Ca 0.24 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.54 2k4n h ILE 13 Cb -0.10 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2k4n h ILE 13 CO -0.05 0.51 0.00 0.61 0.00 0.00 0.00 178.15 179.22 2k4n n GLY 14 N 0.23 1.34 3.97 5.37 0.00 0.93 -5.10 105.19 111.93 2k4n n GLY 14 Ca -0.04 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 2k4n n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4n s GLU 15 N -0.89 2.34 0.09 1.61 0.41 -0.57 -5.03 118.70 116.66 2k4n s GLU 15 Ca 0.00 -1.76 0.05 0.00 -0.41 0.00 0.00 54.97 52.85 2k4n s GLU 15 Cb 0.00 -2.41 -0.04 0.00 -1.78 0.00 0.00 34.13 29.90 2k4n s GLU 15 CO 0.00 -0.67 -0.02 -0.51 -0.49 0.00 0.00 175.26 173.57 2k4n s ASP 16 N -4.45 4.89 -0.03 -0.19 1.01 -1.26 -4.71 116.67 111.93 2k4n s ASP 16 Ca 0.49 -0.22 -0.07 0.00 0.71 0.00 0.00 52.55 53.46 2k4n s ASP 16 Cb -0.04 -1.12 0.01 0.00 1.01 0.00 0.00 42.92 42.78 2k4n s ASP 16 CO 0.31 0.18 0.16 -0.72 0.21 0.00 0.00 175.17 175.30 2k4n s TYR 17 N -1.29 -0.09 -0.38 4.23 1.13 -1.26 -4.57 117.35 115.12 2k4n s TYR 17 Ca 0.25 0.20 -0.03 0.00 -1.41 0.00 0.00 57.07 56.08 2k4n s TYR 17 Cb -0.12 0.02 0.09 0.00 -1.10 0.00 0.00 41.96 40.85 2k4n s TYR 17 CO 0.17 -0.18 0.16 0.42 -2.51 0.00 0.00 175.55 173.61 2k4n s ILE 18 N -0.58 3.29 -0.08 -3.49 1.01 -0.32 -4.97 121.20 116.06 2k4n s ILE 18 Ca -0.07 -1.84 -0.17 0.00 0.00 0.00 0.00 60.65 58.57 2k4n s ILE 18 Cb -0.04 -3.15 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 2k4n s ILE 18 CO 0.01 -0.53 0.46 -0.70 0.00 0.00 0.00 174.94 174.18 2k4n s GLU 19 N 1.19 4.22 0.00 2.79 2.12 -1.26 -0.22 118.70 127.55 2k4n s GLU 19 Ca 0.05 0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.82 2k4n s GLU 19 Cb -0.22 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 30.80 2k4n s GLU 19 CO -0.03 0.33 0.00 1.28 -0.54 0.00 0.00 175.26 176.30 2k4n n LEU 20 N 3.06 0.00 -4.56 2.70 4.77 0.21 -4.99 117.00 118.19 2k4n n LEU 20 Ca -0.09 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.49 2k4n n LEU 20 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 2k4n n LEU 20 CO 0.41 0.00 1.50 -1.61 -1.33 0.00 0.00 177.39 176.36 2k4n s GLU 21 N 0.33 2.88 -1.40 3.23 2.02 -1.26 -3.08 118.70 121.41 2k4n s GLU 21 Ca 0.00 0.60 0.00 0.00 0.02 0.00 0.00 54.97 55.59 2k4n s GLU 21 Cb 0.00 -4.30 0.00 0.00 0.10 0.00 0.00 34.13 29.93 2k4n s GLU 21 CO 0.00 -2.44 0.00 0.09 0.02 0.00 0.00 175.26 172.93 2k4n n ASN 22 N 11.61 -4.58 -3.93 -0.19 4.13 -1.26 -4.98 115.26 116.05 2k4n n ASN 22 Ca 0.18 0.31 -0.15 0.00 1.68 0.00 0.00 54.58 56.60 2k4n n ASN 22 Cb 0.51 -3.28 -0.15 0.00 -1.54 0.00 0.00 39.78 35.32 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 -3.20 0.35 -0.22 3.52 2.02 -1.18 0.12 118.70 120.12 2k4n s GLU 23 Ca 0.00 -0.13 0.01 0.00 0.02 0.00 0.00 54.97 54.87 2k4n s GLU 23 Cb 0.00 -0.36 0.05 0.00 0.10 0.00 0.00 34.13 33.92 2k4n s GLU 23 CO 0.00 0.07 -0.11 0.42 0.02 0.00 0.00 175.26 175.66 2k4n s ILE 24 N 0.02 1.82 -0.23 -1.63 1.01 0.29 0.68 121.20 123.16 2k4n s ILE 24 Ca 0.00 -1.22 -0.14 0.00 0.00 0.00 0.00 60.65 59.29 2k4n s ILE 24 Cb -0.03 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 2k4n s ILE 24 CO -0.00 0.10 0.34 -1.00 0.00 0.00 0.00 174.94 174.38 2k4n s HIS 25 N 1.30 3.33 0.51 3.97 3.76 0.70 -0.34 115.29 128.52 2k4n s HIS 25 Ca -0.04 0.48 0.04 0.00 -0.15 0.00 0.00 55.06 55.39 2k4n s HIS 25 Cb -0.17 -2.49 0.00 0.00 1.11 0.00 0.00 32.58 31.03 2k4n s HIS 25 CO -0.07 -0.06 0.19 -0.51 -0.85 0.00 0.00 174.74 173.44 2k4n s LEU 26 N 1.48 2.56 0.08 0.89 1.43 -0.94 -1.18 118.68 122.99 2k4n s LEU 26 Ca 0.16 -1.42 -0.22 0.00 -1.03 0.00 0.00 54.13 51.61 2k4n s LEU 26 Cb -0.15 -1.00 -0.07 0.00 0.03 0.00 0.00 46.19 45.01 2k4n s LEU 26 CO 0.08 -0.93 0.67 -0.54 0.23 0.00 0.00 176.35 175.86 2k4n s LYS 27 N -4.05 4.38 0.34 1.70 1.02 -1.26 -4.67 119.74 117.19 2k4n s LYS 27 Ca 0.22 0.91 0.09 0.00 0.02 0.00 0.00 55.97 57.21 2k4n s LYS 27 Cb 0.00 -3.29 0.83 0.00 -0.52 0.00 0.00 37.83 34.85 2k4n s LYS 27 CO 0.13 0.50 1.82 -1.35 -0.92 0.00 0.00 175.35 175.53 2k4n h PRO 28 N 4.92 0.66 0.00 -1.68 0.11 -1.95 0.36 132.00 134.43 2k4n h PRO 28 Ca -0.47 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.46 2k4n h PRO 28 Cb 1.21 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 2k4n h PRO 28 CO 0.67 0.44 -0.66 1.49 -0.21 0.00 0.00 178.00 179.73 2k4n h GLU 29 N 0.68 0.00 0.17 1.05 4.81 -1.93 -2.87 114.58 116.49 2k4n h GLU 29 Ca 0.52 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.41 2k4n h GLU 29 Cb 0.89 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.28 2k4n h GLU 29 CO -0.28 0.66 -1.65 0.28 -0.73 0.00 0.00 179.01 177.29 2k4n h VAL 30 N 0.00 1.04 -0.27 0.32 2.07 -1.50 -3.31 116.25 114.60 2k4n h VAL 30 Ca -0.01 -2.63 0.07 0.00 0.82 0.00 0.00 66.70 64.95 2k4n h VAL 30 Cb 1.19 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 33.73 2k4n h VAL 30 CO 0.09 0.84 0.19 0.15 0.02 0.00 0.00 177.57 178.85 2k4n h PHE 31 N 0.10 0.05 -0.58 1.57 3.57 -0.34 -1.51 116.94 119.80 2k4n h PHE 31 Ca -0.30 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.29 2k4n h PHE 31 Cb 2.08 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 40.73 2k4n h PHE 31 CO 0.09 0.03 0.21 -0.92 -2.23 0.00 0.00 178.31 175.49 2k4n h TYR 32 N 0.05 0.37 0.00 0.41 3.20 -1.59 0.41 116.97 119.82 2k4n h TYR 32 Ca 0.13 0.03 -0.21 0.00 3.14 0.00 0.00 58.73 61.81 2k4n h TYR 32 Cb 0.44 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 2k4n h TYR 32 CO -0.00 0.11 -1.09 0.93 -1.64 0.00 0.00 178.16 176.47 2k4n h GLU 33 N 0.40 0.00 -0.45 1.82 5.08 -1.48 -2.92 114.58 117.02 2k4n h GLU 33 Ca 0.29 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.54 2k4n h GLU 33 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2k4n h GLU 33 CO -0.28 0.84 -0.15 0.28 -1.00 0.00 0.00 179.01 178.70 2k4n h VAL 34 N 0.00 1.27 -0.55 3.13 2.07 -0.93 0.20 116.25 121.44 2k4n h VAL 34 Ca -0.06 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.22 2k4n h VAL 34 Cb 1.77 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 32.66 2k4n h VAL 34 CO 0.11 0.44 0.29 -0.25 0.02 0.00 0.00 177.57 178.18 2k4n h TRP 35 N 0.73 0.53 0.00 1.57 7.01 -0.23 -1.47 115.95 124.08 2k4n h TRP 35 Ca 0.11 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.10 2k4n h TRP 35 Cb 0.70 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 27.60 2k4n h TRP 35 CO 0.05 0.26 -0.12 0.87 -2.79 0.00 0.00 178.44 176.71 2k4n h LYS 36 N 0.55 0.00 -0.36 2.65 1.57 -1.34 0.22 116.57 119.87 2k4n h LYS 36 Ca 0.24 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.94 2k4n h LYS 36 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2k4n h LYS 36 CO -0.16 0.12 -0.12 -0.92 -0.57 0.00 0.00 179.45 177.81 2k4n h TYR 37 N 0.00 0.67 -0.49 -1.35 3.20 0.44 -2.20 116.97 117.24 2k4n h TYR 37 Ca -0.00 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.76 2k4n h TYR 37 Cb 0.91 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.00 2k4n h TYR 37 CO 0.00 0.71 0.00 1.33 -1.64 0.00 0.00 178.16 178.56 2k4n n VAL 38 N -4.18 0.98 -1.26 1.81 0.24 -0.91 -4.90 118.33 110.11 2k4n n VAL 38 Ca 0.01 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 2k4n n VAL 38 Cb 0.34 0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 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 1.10 0.92 3.31 7.63 0.00 -0.83 -4.53 105.19 112.80 2k4n n GLY 39 Ca 0.18 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.11 -1.44 0.00 1.61 0.28 0.76 -4.97 120.64 115.77 2k4n n GLU 40 Ca 0.00 0.90 0.00 0.00 -0.16 0.00 0.00 57.16 57.90 2k4n n GLU 40 Cb 0.30 -1.72 0.00 0.00 1.43 0.00 0.00 31.44 31.45 2k4n n GLU 40 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2k4n n PRO 41 N -1.16 2.01 -2.19 3.44 -0.04 -1.26 -5.01 135.00 130.79 2k4n n PRO 41 Ca -0.17 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.87 2k4n n PRO 41 Cb 0.57 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.00 2k4n n PRO 41 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2k4n s GLU 42 N 1.38 4.25 -0.30 0.54 0.41 -1.26 -4.99 118.70 118.74 2k4n s GLU 42 Ca 0.00 1.99 -0.21 0.00 -0.41 0.00 0.00 54.97 56.34 2k4n s GLU 42 Cb 0.00 -3.66 -0.01 0.00 -1.78 0.00 0.00 34.13 28.68 2k4n s GLU 42 CO 0.00 -0.64 0.68 -0.51 -0.49 0.00 0.00 175.26 174.30 2k4n s LEU 43 N 2.81 4.12 -0.28 1.80 1.43 -1.26 -4.73 118.68 122.57 2k4n s LEU 43 Ca 0.65 0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 54.13 2k4n s LEU 43 Cb -0.31 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 42.97 2k4n s LEU 43 CO 0.26 -0.51 0.38 -0.54 0.23 0.00 0.00 176.35 176.17 2k4n s LYS 44 N 2.71 3.97 -0.13 1.70 1.02 0.30 -4.91 119.74 124.40 2k4n s LYS 44 Ca 0.28 0.01 -0.03 0.00 0.02 0.00 0.00 55.97 56.24 2k4n s LYS 44 Cb -0.15 -3.67 -0.03 0.00 -0.52 0.00 0.00 37.83 33.46 2k4n s LYS 44 CO 0.12 -0.31 -0.00 0.95 -0.92 0.00 0.00 175.35 175.18 2k4n s THR 45 N 2.08 4.23 -0.01 2.17 -4.23 -1.26 -0.08 115.64 118.55 2k4n s THR 45 Ca 0.15 -0.25 0.05 0.00 -1.18 0.00 0.00 61.69 60.45 2k4n s THR 45 Cb -0.16 -2.83 -0.01 0.00 1.34 0.00 0.00 72.50 70.84 2k4n s THR 45 CO 0.10 0.54 -0.15 -0.72 -0.54 0.00 0.00 174.62 173.85 2k4n s TYR 46 N -0.23 1.37 -0.41 3.99 1.13 0.04 -4.96 117.35 118.29 2k4n s TYR 46 Ca 0.05 -0.27 -0.15 0.00 -1.41 0.00 0.00 57.07 55.29 2k4n s TYR 46 Cb -0.12 -0.88 0.02 0.00 -1.10 0.00 0.00 41.96 39.88 2k4n s TYR 46 CO 0.02 -0.02 0.33 0.08 -2.51 0.00 0.00 175.55 173.45 2k4n s VAL 47 N -0.40 5.22 -0.40 -3.49 1.01 -1.26 -0.94 120.40 120.15 2k4n s VAL 47 Ca 0.06 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 2k4n s VAL 47 Cb -0.06 -3.94 0.06 0.00 0.00 0.00 0.00 36.38 32.45 2k4n s VAL 47 CO -0.00 -0.31 0.22 -0.51 0.00 0.00 0.00 175.10 174.50 2k4n s ILE 48 N 1.80 4.20 -0.62 2.22 2.07 0.58 -4.89 121.20 126.55 2k4n s ILE 48 Ca 0.07 -1.26 -0.27 0.00 -1.41 0.00 0.00 60.65 57.78 2k4n s ILE 48 Cb -0.18 -3.50 0.04 0.00 0.13 0.00 0.00 42.46 38.94 2k4n s ILE 48 CO 0.11 -0.40 1.15 -0.70 -1.91 0.00 0.00 174.94 173.18 2k4n s GLU 49 N 1.44 3.36 0.01 3.50 2.12 -1.26 -0.87 118.70 127.01 2k4n s GLU 49 Ca 0.02 -0.06 -0.01 0.00 0.36 0.00 0.00 54.97 55.28 2k4n s GLU 49 Cb -0.22 -4.08 -0.04 0.00 0.26 0.00 0.00 34.13 30.05 2k4n s GLU 49 CO 0.03 -1.77 0.13 0.34 -0.54 0.00 0.00 175.26 173.45 2k4n s ASP 50 N 3.19 6.00 -0.23 -1.70 -1.08 0.20 -4.83 116.67 118.21 2k4n s ASP 50 Ca 0.37 0.22 -0.11 0.00 -0.52 0.00 0.00 52.55 52.50 2k4n s ASP 50 Cb -0.09 -1.79 -0.05 0.00 -1.46 0.00 0.00 42.92 39.53 2k4n s ASP 50 CO 0.20 0.25 0.20 -1.61 0.52 0.00 0.00 175.17 174.73 2k4n s GLU 51 N -1.97 4.09 -0.29 4.34 2.02 -1.26 0.24 118.70 125.86 2k4n s GLU 51 Ca 0.27 -0.19 -0.06 0.00 0.02 0.00 0.00 54.97 55.01 2k4n s GLU 51 Cb -0.12 -3.54 0.01 0.00 0.10 0.00 0.00 34.13 30.58 2k4n s GLU 51 CO 0.18 0.05 0.21 -0.89 0.02 0.00 0.00 175.26 174.83 2k4n n ILE 52 N 4.28 -9.89 -3.66 -1.63 5.41 0.09 -4.92 119.36 109.03 2k4n n ILE 52 Ca -0.14 1.18 -0.38 0.00 1.00 0.00 0.00 62.75 64.40 2k4n n ILE 52 Cb 0.52 -6.54 -0.09 0.00 -0.71 0.00 0.00 39.64 32.82 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 -1.76 3.85 0.30 1.39 1.01 -1.26 -5.06 120.40 118.87 2k4n s VAL 53 Ca 0.09 -2.23 0.02 0.00 0.00 0.00 0.00 61.98 59.85 2k4n s VAL 53 Cb -0.02 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2k4n s VAL 53 CO 0.64 -0.79 0.47 -1.61 0.00 0.00 0.00 175.10 173.81 2k4n s GLU 54 N 0.83 3.48 0.46 2.72 0.41 -1.26 -5.00 118.70 120.34 2k4n s GLU 54 Ca 0.10 -0.47 0.18 0.00 -0.41 0.00 0.00 54.97 54.38 2k4n s GLU 54 Cb -0.22 -2.75 1.14 0.00 -1.78 0.00 0.00 34.13 30.51 2k4n s GLU 54 CO -0.03 0.26 1.95 -1.35 -0.49 0.00 0.00 175.26 175.61 2k4n h PRO 55 N 1.02 0.29 0.00 0.39 0.11 -2.04 -3.44 132.00 128.33 2k4n h PRO 55 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2k4n h PRO 55 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2k4n h PRO 55 CO 0.62 0.19 0.00 0.41 -0.21 0.00 0.00 178.00 179.01 2k4n n GLY 56 N -1.55 0.26 3.51 -0.55 0.00 -1.26 -5.15 105.19 100.45 2k4n n GLY 56 Ca 0.12 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2k4n n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k4n s GLU 57 N 0.00 2.24 0.49 1.61 2.12 -1.26 -5.13 118.70 118.77 2k4n s GLU 57 Ca 0.00 -0.89 0.08 0.00 0.36 0.00 0.00 54.97 54.51 2k4n s GLU 57 Cb 0.00 -2.31 0.03 0.00 0.26 0.00 0.00 34.13 32.11 2k4n s GLU 57 CO 0.00 0.56 0.52 0.71 -0.54 0.00 0.00 175.26 176.51 2k4n s TYR 58 N -0.97 2.12 0.49 5.30 2.02 -1.26 -4.90 117.35 120.16 2k4n s TYR 58 Ca 0.16 -0.62 -0.12 0.00 -0.37 0.00 0.00 57.07 56.11 2k4n s TYR 58 Cb -0.11 -2.15 -0.06 0.00 -0.40 0.00 0.00 41.96 39.24 2k4n s TYR 58 CO 0.07 -0.52 0.89 0.16 -1.57 0.00 0.00 175.55 174.59 2k4n s ASP 59 N -4.34 6.47 -0.21 2.29 -4.77 -1.26 -4.95 116.67 109.92 2k4n s ASP 59 Ca 0.49 1.32 -0.42 0.00 -3.30 0.00 0.00 52.55 50.64 2k4n s ASP 59 Cb -0.05 -2.41 -0.19 0.00 -1.09 0.00 0.00 42.92 39.19 2k4n s ASP 59 CO 0.30 -0.57 1.41 -2.65 0.70 0.00 0.00 175.17 174.35 2k4n n PRO 60 N -1.77 0.38 -2.09 2.11 -0.02 -1.26 -4.80 135.00 127.55 2k4n n PRO 60 Ca 0.04 0.14 -0.28 0.00 -2.02 0.00 0.00 63.50 61.38 2k4n n PRO 60 Cb 0.54 -1.69 -0.05 0.00 -0.02 0.00 0.00 33.50 32.28 2k4n n PRO 60 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2k4n s PRO 61 N 1.71 2.61 0.38 0.52 0.02 -1.26 -4.90 135.00 134.08 2k4n s PRO 61 Ca 0.96 -0.59 0.01 0.00 0.02 0.00 0.00 61.00 61.40 2k4n s PRO 61 Cb -1.27 -5.13 -0.00 0.00 0.02 0.00 0.00 34.50 28.12 2k4n s PRO 61 CO 0.65 -3.46 0.02 0.39 -0.33 0.00 0.00 177.00 174.28 2k4n n GLU 62 N 8.70 0.96 -2.33 5.54 -0.58 -1.26 -5.03 120.64 126.64 2k4n n GLU 62 Ca 0.41 -2.87 -0.35 0.00 -0.42 0.00 0.00 57.16 53.93 2k4n n GLU 62 Cb 0.47 0.92 -0.03 0.00 -0.57 0.00 0.00 31.44 32.23 2k4n n GLU 62 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 2k4n s MET 63 N -3.40 3.23 -0.19 3.49 -2.45 -1.26 -4.84 119.30 113.88 2k4n s MET 63 Ca 0.03 -1.42 -0.16 0.00 -1.25 0.00 0.00 55.69 52.89 2k4n s MET 63 Cb 0.00 -5.36 0.05 0.00 1.25 0.00 0.00 34.83 30.77 2k4n s MET 63 CO 0.02 -3.04 0.49 0.21 1.05 0.00 0.00 175.02 173.76 2k4n s LYS 64 N 5.45 0.56 -0.67 4.11 2.20 -1.26 -5.11 119.74 125.02 2k4n s LYS 64 Ca 0.60 0.73 -0.23 0.00 -0.36 0.00 0.00 55.97 56.71 2k4n s LYS 64 Cb 0.01 0.24 0.07 0.00 -1.51 0.00 0.00 37.83 36.63 2k4n s LYS 64 CO 0.07 -0.08 0.98 -0.47 -0.36 0.00 0.00 175.35 175.49 2k4n s TYR 65 N 0.47 2.65 -0.12 4.03 5.04 -1.26 -5.00 117.35 123.15 2k4n s TYR 65 Ca -0.02 -0.52 -0.29 0.00 -2.44 0.00 0.00 57.07 53.79 2k4n s TYR 65 Cb -0.04 -4.31 -0.03 0.00 0.35 0.00 0.00 41.96 37.92 2k4n s TYR 65 CO -0.02 -1.68 1.47 0.99 -1.34 0.00 0.00 175.55 174.97 2k4n s THR 66 N 4.16 3.91 -0.28 4.34 2.01 -1.26 -4.91 115.64 123.61 2k4n s THR 66 Ca 0.23 1.09 -0.35 0.00 0.31 0.00 0.00 61.69 62.97 2k4n s THR 66 Cb -0.16 -3.73 -0.11 0.00 0.01 0.00 0.00 72.50 68.50 2k4n s THR 66 CO 0.10 -0.13 2.10 0.59 -0.69 0.00 0.00 174.62 176.59 2k4n n ASN 67 N 7.04 2.50 -4.57 3.53 3.02 -1.26 -4.83 115.26 120.69 2k4n n ASN 67 Ca 0.16 0.55 -0.35 0.00 -0.03 0.00 0.00 54.58 54.90 2k4n n ASN 67 Cb 0.44 -1.30 -0.03 0.00 -0.61 0.00 0.00 39.78 38.27 2k4n n ASN 67 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2k4n s VAL 68 N 6.51 3.77 -0.20 2.41 1.01 -1.26 -4.83 120.40 127.82 2k4n s VAL 68 Ca 1.05 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 2k4n s VAL 68 Cb -0.79 -4.72 -0.04 0.00 0.00 0.00 0.00 36.38 30.82 2k4n s VAL 68 CO 0.50 -1.54 0.29 -0.75 0.00 0.00 0.00 175.10 173.60 2k4n s LYS 69 N 5.62 4.18 0.00 2.72 2.20 -1.26 -4.87 119.74 128.34 2k4n s LYS 69 Ca 0.58 0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 55.91 2k4n s LYS 69 Cb -0.01 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 2k4n s LYS 69 CO -0.01 0.10 0.98 0.15 -0.36 0.00 0.00 175.35 176.22 2k4n s LYS 70 N 0.89 4.56 -0.28 4.03 1.02 -1.26 -0.74 119.74 127.96 2k4n s LYS 70 Ca 0.15 1.42 0.00 0.00 0.02 0.00 0.00 55.97 57.56 2k4n s LYS 70 Cb -0.14 -3.46 0.05 0.00 -0.52 0.00 0.00 37.83 33.77 2k4n s LYS 70 CO 0.05 -0.06 -0.04 0.08 -0.92 0.00 0.00 175.35 174.46 2k4n s VAL 71 N 1.02 2.67 -0.68 3.17 1.01 0.14 -4.94 120.40 122.78 2k4n s VAL 71 Ca 0.52 -1.49 -0.27 0.00 0.00 0.00 0.00 61.98 60.75 2k4n s VAL 71 Cb -0.21 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.63 2k4n s VAL 71 CO 0.28 -0.08 1.50 -0.54 0.00 0.00 0.00 175.10 176.26 2k4n s LYS 72 N 1.19 2.99 -0.47 2.72 1.02 -1.26 -0.63 119.74 125.31 2k4n s LYS 72 Ca -0.07 0.11 -0.21 0.00 0.02 0.00 0.00 55.97 55.83 2k4n s LYS 72 Cb -0.20 -4.25 0.03 0.00 -0.52 0.00 0.00 37.83 32.89 2k4n s LYS 72 CO -0.03 -2.35 0.69 0.42 -0.92 0.00 0.00 175.35 173.17 2k4n s ILE 73 N 6.97 4.76 -0.51 2.17 1.01 -0.05 -4.88 121.20 130.67 2k4n s ILE 73 Ca 0.48 0.05 -0.21 0.00 0.00 0.00 0.00 60.65 60.97 2k4n s ILE 73 Cb -0.10 -4.28 0.05 0.00 0.01 0.00 0.00 42.46 38.14 2k4n s ILE 73 CO 0.18 -0.72 0.72 -0.75 0.00 0.00 0.00 174.94 174.37 2k4n s LYS 74 N 2.98 3.21 0.29 2.79 2.20 -1.26 -0.31 119.74 129.64 2k4n s LYS 74 Ca 0.23 -0.63 0.07 0.00 -0.36 0.00 0.00 55.97 55.28 2k4n s LYS 74 Cb -0.15 -4.06 -0.03 0.00 -1.51 0.00 0.00 37.83 32.08 2k4n s LYS 74 CO 0.18 -1.27 0.25 0.15 -0.36 0.00 0.00 175.35 174.30 2k4n s LYS 75 N 3.04 2.88 0.01 4.03 1.02 -0.12 -3.94 119.74 126.67 2k4n s LYS 75 Ca 0.21 -1.14 0.07 0.00 0.02 0.00 0.00 55.97 55.13 2k4n s LYS 75 Cb -0.17 -2.55 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 2k4n s LYS 75 CO 0.15 0.27 -0.21 0.54 -0.92 0.00 0.00 175.35 175.18 2k4n s VAL 76 N -2.20 1.67 0.23 3.17 0.11 -0.82 -0.78 120.40 121.78 2k4n s VAL 76 Ca 0.37 -1.05 -0.15 0.00 -2.93 0.00 0.00 61.98 58.22 2k4n s VAL 76 Cb -0.07 -1.42 0.01 0.00 -1.53 0.00 0.00 36.38 33.37 2k4n s VAL 76 CO 0.26 0.34 0.50 -0.72 -3.33 0.00 0.00 175.10 172.15 2k4n s TYR 77 N -0.64 0.14 0.05 1.54 1.13 0.89 -0.28 117.35 120.17 2k4n s TYR 77 Ca 0.08 -0.51 0.02 0.00 -1.41 0.00 0.00 57.07 55.24 2k4n s TYR 77 Cb -0.08 0.29 -0.03 0.00 -1.10 0.00 0.00 41.96 41.04 2k4n s TYR 77 CO 0.01 -0.97 -0.07 -0.59 -2.51 0.00 0.00 175.55 171.41 2k4n s PHE 78 N -3.95 0.64 -0.17 -3.49 -0.12 -0.94 -0.54 117.98 109.40 2k4n s PHE 78 Ca 0.16 -0.55 -0.08 0.00 -0.05 0.00 0.00 56.93 56.41 2k4n s PHE 78 Cb -0.01 -0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 41.95 2k4n s PHE 78 CO 0.04 -0.11 0.09 -1.21 -0.05 0.00 0.00 175.22 173.98 2k4n s GLU 79 N -1.82 3.92 0.25 1.99 2.02 -1.26 -0.68 118.70 123.12 2k4n s GLU 79 Ca -0.08 -0.29 -0.03 0.00 0.02 0.00 0.00 54.97 54.59 2k4n s GLU 79 Cb -0.08 -3.24 0.05 0.00 0.10 0.00 0.00 34.13 30.96 2k4n s GLU 79 CO -0.00 0.36 0.33 0.25 0.02 0.00 0.00 175.26 176.22 2k4n n THR 80 N 3.28 0.00 0.07 3.63 -2.24 -0.51 -4.94 114.28 113.58 2k4n n THR 80 Ca -0.17 -0.32 -0.08 0.00 -2.27 0.00 0.00 64.05 61.21 2k4n n THR 80 Cb 0.53 -1.67 0.05 0.00 -2.10 0.00 0.00 70.33 67.13 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 0.34 -2.86 3.22 4.07 -1.90 -3.15 115.31 115.03 2k4n h LEU 81 Ca -0.11 -0.23 -0.14 0.00 0.08 0.00 0.00 57.88 57.47 2k4n h LEU 81 Cb 0.33 -0.10 -0.09 0.00 1.08 0.00 0.00 40.66 41.88 2k4n h LEU 81 CO 0.09 0.96 0.18 -0.90 -1.08 0.00 0.00 178.44 177.69 2k4n n ASP 82 N -3.79 3.70 -0.85 -0.43 5.75 -1.26 -4.87 116.55 114.80 2k4n n ASP 82 Ca -0.03 -2.76 -0.11 0.00 -0.01 0.00 0.00 54.79 51.88 2k4n n ASP 82 Cb 0.71 -0.66 -0.04 0.00 -1.03 0.00 0.00 41.12 40.10 2k4n n ASP 82 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2k4n n ASN 83 N -0.02 -4.23 -4.66 -1.12 4.13 -1.19 -4.98 115.26 103.18 2k4n n ASN 83 Ca 0.26 0.24 -0.38 0.00 1.68 0.00 0.00 54.58 56.38 2k4n n ASN 83 Cb 1.01 -2.74 -0.08 0.00 -1.54 0.00 0.00 39.78 36.44 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 -2.41 5.19 -0.43 2.41 1.01 -1.26 -4.81 120.40 120.10 2k4n s VAL 84 Ca 0.00 0.70 -0.22 0.00 0.00 0.00 0.00 61.98 62.46 2k4n s VAL 84 Cb 0.00 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.67 2k4n s VAL 84 CO 0.00 0.23 0.73 -0.13 0.00 0.00 0.00 175.10 175.93 2k4n s ARG 85 N 1.45 3.43 -0.74 2.72 0.52 0.12 -1.42 118.95 125.03 2k4n s ARG 85 Ca 0.19 -0.12 -0.26 0.00 -0.52 0.00 0.00 55.73 55.01 2k4n s ARG 85 Cb -0.15 -3.92 0.04 0.00 0.52 0.00 0.00 34.95 31.44 2k4n s ARG 85 CO 0.08 -1.02 1.24 0.08 0.02 0.00 0.00 175.30 175.69 2k4n s VAL 86 N 3.08 3.83 -0.12 3.52 1.01 0.15 -0.55 120.40 131.33 2k4n s VAL 86 Ca 0.27 0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.42 2k4n s VAL 86 Cb -0.13 -4.89 -0.04 0.00 0.00 0.00 0.00 36.38 31.32 2k4n s VAL 86 CO 0.20 -1.80 0.09 -0.69 0.00 0.00 0.00 175.10 172.90 2k4n s VAL 87 N 5.42 5.06 0.06 2.92 1.01 0.54 -2.22 120.40 133.18 2k4n s VAL 87 Ca 0.33 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.29 2k4n s VAL 87 Cb -0.09 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 2k4n s VAL 87 CO 0.13 0.60 0.12 -0.89 0.00 0.00 0.00 175.10 175.06 2k4n s THR 88 N -0.83 0.15 -0.01 3.92 2.01 0.61 -2.22 115.64 119.28 2k4n s THR 88 Ca 0.13 -1.21 -0.30 0.00 0.31 0.00 0.00 61.69 60.62 2k4n s THR 88 Cb -0.12 -1.16 -0.06 0.00 0.01 0.00 0.00 72.50 71.16 2k4n s THR 88 CO 0.03 -0.67 1.61 -0.62 -0.69 0.00 0.00 174.62 174.28 2k4n s ASP 89 N -2.52 6.68 0.33 3.53 2.15 -1.26 -1.94 116.67 123.64 2k4n s ASP 89 Ca 0.01 2.29 0.11 0.00 0.43 0.00 0.00 52.55 55.39 2k4n s ASP 89 Cb 0.03 -2.55 0.57 0.00 -0.30 0.00 0.00 42.92 40.67 2k4n s ASP 89 CO -0.08 -0.88 1.74 0.22 -0.17 0.00 0.00 175.17 176.01 2k4n h TYR 90 N 8.87 0.03 0.32 -5.34 3.20 -1.89 -2.60 116.97 119.55 2k4n h TYR 90 Ca -0.40 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.45 2k4n h TYR 90 Cb 1.19 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.45 2k4n h TYR 90 CO 0.83 0.48 -0.15 1.03 -1.64 0.00 0.00 178.16 178.71 2k4n h SER 91 N 0.02 -0.36 0.48 -2.11 0.87 -1.90 -2.07 113.55 108.47 2k4n h SER 91 Ca -0.00 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.49 2k4n h SER 91 Cb 0.82 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 2k4n h SER 91 CO 0.06 -0.23 -0.39 -0.33 -0.53 0.00 0.00 176.83 175.41 2k4n h GLU 92 N -0.48 0.00 -0.23 2.24 4.39 -1.99 -2.60 114.58 115.91 2k4n h GLU 92 Ca -0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2k4n h GLU 92 Cb 0.33 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2k4n h GLU 92 CO 0.07 0.39 0.12 0.35 -1.16 0.00 0.00 179.01 178.78 2k4n h PHE 93 N 0.00 0.32 -0.41 4.33 3.57 -1.49 -1.37 116.94 121.89 2k4n h PHE 93 Ca -0.00 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 2k4n h PHE 93 Cb 0.73 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 2k4n h PHE 93 CO 0.00 0.31 0.03 1.96 -2.23 0.00 0.00 178.31 178.38 2k4n h GLN 94 N 0.25 0.65 -0.58 1.11 1.08 -1.13 -1.31 115.11 115.17 2k4n h GLN 94 Ca 0.08 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 2k4n h GLN 94 Cb 0.10 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 2k4n h GLN 94 CO -0.01 0.64 0.33 0.87 -0.95 0.00 0.00 178.83 179.71 2k4n h LYS 95 N 0.62 0.80 -0.39 1.46 1.57 -1.14 -1.21 116.57 118.27 2k4n h LYS 95 Ca 0.13 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 2k4n h LYS 95 Cb 0.34 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2k4n h LYS 95 CO 0.01 0.60 -0.15 0.82 -0.57 0.00 0.00 179.45 180.16 2k4n h ILE 96 N 0.78 1.26 -0.03 1.86 2.04 -0.71 0.38 117.51 123.08 2k4n h ILE 96 Ca 0.20 -1.21 0.01 0.00 1.00 0.00 0.00 64.86 64.86 2k4n h ILE 96 Cb 0.03 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2k4n h ILE 96 CO -0.03 0.41 -0.00 -0.07 0.00 0.00 0.00 178.15 178.45 2k4n h LEU 97 N 0.65 -0.02 -0.56 1.44 3.38 -0.91 0.74 115.31 120.02 2k4n h LEU 97 Ca 0.10 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2k4n h LEU 97 Cb 0.62 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2k4n h LEU 97 CO 0.04 -0.01 0.19 0.11 0.09 0.00 0.00 178.44 178.86 2k4n h LYS 98 N 0.01 0.87 0.41 1.13 1.57 -0.97 0.14 116.57 119.72 2k4n h LYS 98 Ca 0.02 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 2k4n h LYS 98 Cb 0.02 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2k4n h LYS 98 CO -0.03 0.78 -0.21 -0.22 -0.57 0.00 0.00 179.45 179.21 2k4n h LYS 99 N 0.79 -0.54 -0.00 3.15 3.11 0.05 -2.78 116.57 120.34 2k4n h LYS 99 Ca 0.18 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.06 2k4n h LYS 99 Cb 0.27 0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.62 2k4n h LYS 99 CO -0.01 -0.36 -0.08 0.54 -2.81 0.00 0.00 179.45 176.73 2k4n n ARG 100 N -5.34 0.42 -2.32 1.90 1.74 0.23 -4.92 116.66 108.37 2k4n n ARG 100 Ca -0.11 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 2k4n n ARG 100 Cb 0.24 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2k4n n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k4n n GLY 101 N 1.34 0.93 3.73 -0.13 0.00 -0.44 -5.02 105.19 105.59 2k4n n GLY 101 Ca 0.12 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 2k4n n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k4n s THR 102 N -2.94 4.43 -0.28 2.61 2.01 0.35 -5.01 115.64 116.81 2k4n s THR 102 Ca 0.00 1.94 -0.15 0.00 0.31 0.00 0.00 61.69 63.79 2k4n s THR 102 Cb 0.00 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 2k4n s THR 102 CO 0.00 0.26 0.39 -0.54 -0.69 0.00 0.00 174.62 174.04 2k4n s LYS 103 N 0.23 3.95 0.33 4.92 -0.14 -1.26 -4.78 119.74 122.99 2k4n s LYS 103 Ca 0.49 0.00 0.07 0.00 -1.36 0.00 0.00 55.97 55.18 2k4n s LYS 103 Cb -0.24 -3.68 -0.03 0.00 -1.68 0.00 0.00 37.83 32.20 2k4n s LYS 103 CO 0.30 -0.33 0.30 -0.51 -0.76 0.00 0.00 175.35 174.35 2k4n s LEU 104 N 2.11 3.64 0.27 3.17 1.43 -1.26 -5.09 118.68 122.95 2k4n s LEU 104 Ca 0.15 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.50 2k4n s LEU 104 Cb -0.16 -2.26 -0.10 0.00 0.03 0.00 0.00 46.19 43.70 2k4n s LEU 104 CO 0.10 -0.34 1.23 -1.61 0.23 0.00 0.00 176.35 175.96 2k4n s GLU 105 N -4.00 4.47 -0.30 1.70 2.02 -1.26 -5.02 118.70 116.31 2k4n s GLU 105 Ca 0.41 2.02 0.01 0.00 0.02 0.00 0.00 54.97 57.42 2k4n s GLU 105 Cb -0.06 -3.15 0.09 0.00 0.10 0.00 0.00 34.13 31.11 2k4n s GLU 105 CO 0.27 -0.06 0.05 -1.01 0.02 0.00 0.00 175.26 174.53 2k4n s HIS 106 N -0.78 2.46 0.32 1.61 3.76 -1.26 -5.13 115.29 116.27 2k4n s HIS 106 Ca 0.49 -2.10 0.06 0.00 -0.15 0.00 0.00 55.06 53.36 2k4n s HIS 106 Cb -0.36 -2.04 -0.01 0.00 1.11 0.00 0.00 32.58 31.28 2k4n s HIS 106 CO 0.44 -0.87 0.45 -1.01 -0.85 0.00 0.00 174.74 172.91 2k4n s HIS 107 N 1.36 3.18 -0.90 1.40 3.76 -1.26 -5.00 115.29 117.83 2k4n s HIS 107 Ca 0.07 -0.17 0.26 0.00 -0.15 0.00 0.00 55.06 55.06 2k4n s HIS 107 Cb -0.18 -1.91 0.62 0.00 1.11 0.00 0.00 32.58 32.21 2k4n s HIS 107 CO -0.15 0.08 1.50 1.58 -0.85 0.00 0.00 174.74 176.89 2k4n n HIS 108 N -1.60 0.17 -4.14 1.40 -0.00 -1.26 -4.72 115.22 105.07 2k4n n HIS 108 Ca -0.02 0.05 -0.19 0.00 0.46 0.00 0.00 57.72 58.02 2k4n n HIS 108 Cb 0.58 -0.42 -0.16 0.00 -0.12 0.00 0.00 29.99 29.87 2k4n n HIS 108 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2k4n s HIS 109 N -3.04 0.67 0.26 1.57 3.76 -1.26 -5.02 115.29 112.23 2k4n s HIS 109 Ca 0.10 -0.17 -0.01 0.00 -0.15 0.00 0.00 55.06 54.83 2k4n s HIS 109 Cb 0.17 -0.61 0.35 0.00 1.11 0.00 0.00 32.58 33.60 2k4n s HIS 109 CO 0.67 -0.17 1.76 1.12 -0.85 0.00 0.00 174.74 177.27 2k4n h HIS 110 N 7.15 0.81 0.00 1.40 -0.00 -2.03 -3.52 115.15 118.96 2k4n h HIS 110 Ca -0.39 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 59.86 2k4n h HIS 110 Cb 1.15 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.34 2k4n h HIS 110 CO 0.50 0.76 0.00 0.72 -0.00 0.00 0.00 177.93 179.91