#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 4.55 0.39 3.17 0.01 -1.26 -4.54 114.94 117.26 2k4n s ASN 2 Ca 0.00 -0.51 0.08 0.00 -0.71 0.00 0.00 52.86 51.72 2k4n s ASN 2 Cb 0.00 0.08 0.79 0.00 0.41 0.00 0.00 41.25 42.54 2k4n s ASN 2 CO 0.00 -1.72 1.95 0.77 -1.51 0.00 0.00 177.10 176.59 2k4n h SER 3 N -0.33 0.33 -0.76 -1.22 4.64 -1.95 -2.46 113.55 111.79 2k4n h SER 3 Ca -0.34 -0.05 0.08 0.00 -0.47 0.00 0.00 61.79 61.01 2k4n h SER 3 Cb 1.27 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 2k4n h SER 3 CO 0.40 0.39 0.50 -0.08 -0.87 0.00 0.00 176.83 177.16 2k4n h GLU 4 N 0.35 0.71 -0.58 4.77 4.57 -2.00 -0.48 114.58 121.92 2k4n h GLU 4 Ca 0.08 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.16 2k4n h GLU 4 Cb 0.24 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 2k4n h GLU 4 CO 0.01 0.47 0.16 0.28 -1.18 0.00 0.00 179.01 178.74 2k4n h VAL 5 N 0.73 1.25 -0.65 0.32 2.07 -1.83 -2.09 116.25 116.05 2k4n h VAL 5 Ca 0.34 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 2k4n h VAL 5 Cb 0.36 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2k4n h VAL 5 CO -0.12 0.32 0.21 0.40 0.02 0.00 0.00 177.57 178.40 2k4n h ILE 6 N 0.83 1.25 0.07 4.57 2.04 -1.17 0.13 117.51 125.23 2k4n h ILE 6 Ca 0.18 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.21 2k4n h ILE 6 Cb 0.32 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2k4n h ILE 6 CO -0.00 0.33 -0.15 0.11 0.00 0.00 0.00 178.15 178.43 2k4n h LYS 7 N 0.94 -0.28 0.00 2.37 1.57 -1.03 -0.65 116.57 119.50 2k4n h LYS 7 Ca 0.21 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.93 2k4n h LYS 7 Cb 0.29 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2k4n h LYS 7 CO -0.01 -0.18 -0.38 0.93 -0.57 0.00 0.00 179.45 179.24 2k4n h GLU 8 N -0.29 0.00 -0.38 3.15 5.08 -1.19 -0.87 114.58 120.08 2k4n h GLU 8 Ca 0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2k4n h GLU 8 Cb 0.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2k4n h GLU 8 CO -0.10 0.38 0.08 0.35 -1.00 0.00 0.00 179.01 178.72 2k4n h PHE 9 N 0.00 0.65 -0.53 4.33 3.57 -0.25 0.27 116.94 124.99 2k4n h PHE 9 Ca -0.00 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.36 2k4n h PHE 9 Cb 0.75 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 2k4n h PHE 9 CO 0.00 0.65 0.13 -0.07 -2.23 0.00 0.00 178.31 176.79 2k4n h LEU 10 N 0.47 0.80 -0.96 0.59 3.38 -0.73 -1.65 115.31 117.20 2k4n h LEU 10 Ca 0.12 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2k4n h LEU 10 Cb 0.34 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2k4n h LEU 10 CO 0.00 0.82 0.20 -0.08 0.09 0.00 0.00 178.44 179.47 2k4n h GLU 11 N 0.74 0.96 0.03 1.13 4.81 -1.00 0.28 114.58 121.52 2k4n h GLU 11 Ca 0.17 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2k4n h GLU 11 Cb 0.33 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2k4n h GLU 11 CO 0.00 0.82 -0.01 0.22 -0.73 0.00 0.00 179.01 179.31 2k4n h ASP 12 N 0.93 -0.03 0.65 1.04 3.58 -0.13 -2.67 116.42 119.78 2k4n h ASP 12 Ca 0.21 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2k4n h ASP 12 Cb 0.26 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2k4n h ASP 12 CO -0.01 0.12 0.00 2.30 -2.88 0.00 0.00 179.24 178.77 2k4n n ILE 13 N -5.04 0.11 -2.49 2.25 -5.35 -0.65 -4.90 119.36 103.30 2k4n n ILE 13 Ca -0.08 0.03 -0.05 0.00 -0.27 0.00 0.00 62.75 62.39 2k4n n ILE 13 Cb 0.11 -0.57 0.01 0.00 -1.74 0.00 0.00 39.64 37.45 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 1.14 0.50 3.94 3.28 0.00 -0.05 -5.05 105.19 108.95 2k4n n GLY 14 Ca 0.11 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 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 -4.88 3.51 -0.08 1.61 2.56 0.78 -5.01 118.70 117.19 2k4n s GLU 15 Ca 0.07 -0.35 -0.30 0.00 0.00 0.00 0.00 54.97 54.40 2k4n s GLU 15 Cb -0.03 -2.75 -0.03 0.00 2.00 0.00 0.00 34.13 33.31 2k4n s GLU 15 CO 0.09 0.28 1.30 0.34 -0.56 0.00 0.00 175.26 176.71 2k4n s ASP 16 N -3.62 6.94 -0.25 -1.70 2.15 -1.26 -4.51 116.67 114.41 2k4n s ASP 16 Ca 0.39 1.87 -0.08 0.00 0.43 0.00 0.00 52.55 55.16 2k4n s ASP 16 Cb -0.10 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.94 2k4n s ASP 16 CO 0.32 -0.70 0.08 -0.47 -0.17 0.00 0.00 175.17 174.23 2k4n s TYR 17 N 2.85 3.10 -0.09 -5.34 5.04 -1.26 -4.82 117.35 116.81 2k4n s TYR 17 Ca 0.59 -0.38 -0.00 0.00 -2.44 0.00 0.00 57.07 54.83 2k4n s TYR 17 Cb -0.26 -2.25 0.02 0.00 0.35 0.00 0.00 41.96 39.83 2k4n s TYR 17 CO 0.21 -0.34 -0.06 -1.50 -1.34 0.00 0.00 175.55 172.52 2k4n s ILE 18 N 1.63 0.83 -0.37 3.14 2.07 -1.26 -5.07 121.20 122.18 2k4n s ILE 18 Ca 0.06 -0.18 -0.07 0.00 -1.41 0.00 0.00 60.65 59.05 2k4n s ILE 18 Cb -0.15 -0.88 0.05 0.00 0.13 0.00 0.00 42.46 41.61 2k4n s ILE 18 CO 0.04 0.33 0.16 -0.70 -1.91 0.00 0.00 174.94 172.86 2k4n s GLU 19 N 1.65 2.61 -1.19 3.50 2.12 -1.26 -1.11 118.70 125.02 2k4n s GLU 19 Ca 0.02 -1.27 -0.10 0.00 0.36 0.00 0.00 54.97 53.99 2k4n s GLU 19 Cb -0.13 -3.58 0.22 0.00 0.26 0.00 0.00 34.13 30.90 2k4n s GLU 19 CO -0.06 -0.76 1.51 -0.11 -0.54 0.00 0.00 175.26 175.30 2k4n n LEU 20 N 4.85 5.90 -3.05 2.70 7.94 0.24 -4.60 117.00 130.98 2k4n n LEU 20 Ca -0.11 -4.76 -0.02 0.00 -1.11 0.00 0.00 56.01 50.01 2k4n n LEU 20 Cb 0.44 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 42.90 2k4n n LEU 20 CO 0.34 1.20 0.29 -0.62 -1.11 0.00 0.00 177.39 177.49 2k4n n GLU 21 N 3.80 -1.48 -1.06 1.96 1.02 -1.26 -3.12 120.64 120.50 2k4n n GLU 21 Ca 0.33 1.57 -0.02 0.00 -0.02 0.00 0.00 57.16 59.02 2k4n n GLU 21 Cb 0.38 -5.63 -0.01 0.00 -0.02 0.00 0.00 31.44 26.16 2k4n n GLU 21 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2k4n n ASN 22 N -1.57 -4.70 -4.19 1.62 5.03 -1.26 -4.97 115.26 105.21 2k4n n ASN 22 Ca 0.01 0.05 -0.34 0.00 0.87 0.00 0.00 54.58 55.16 2k4n n ASN 22 Cb 0.50 -2.38 -0.14 0.00 -1.02 0.00 0.00 39.78 36.74 2k4n n ASN 22 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2k4n s GLU 23 N -1.47 2.74 -0.47 3.52 2.02 -1.18 -2.27 118.70 121.59 2k4n s GLU 23 Ca 0.00 -1.04 -0.24 0.00 0.02 0.00 0.00 54.97 53.70 2k4n s GLU 23 Cb 0.00 -3.03 0.03 0.00 0.10 0.00 0.00 34.13 31.23 2k4n s GLU 23 CO 0.00 -0.45 0.87 0.42 0.02 0.00 0.00 175.26 176.12 2k4n s ILE 24 N 1.31 4.54 -0.41 -1.63 1.01 0.13 0.81 121.20 126.96 2k4n s ILE 24 Ca -0.01 0.53 -0.17 0.00 0.00 0.00 0.00 60.65 60.99 2k4n s ILE 24 Cb -0.17 -4.40 0.02 0.00 0.01 0.00 0.00 42.46 37.91 2k4n s ILE 24 CO -0.04 -0.83 0.46 -1.00 0.00 0.00 0.00 174.94 173.53 2k4n s HIS 25 N 3.58 3.16 0.32 3.97 3.76 -0.27 0.20 115.29 130.01 2k4n s HIS 25 Ca 0.33 -0.25 0.09 0.00 -0.15 0.00 0.00 55.06 55.08 2k4n s HIS 25 Cb -0.11 -2.92 -0.05 0.00 1.11 0.00 0.00 32.58 30.61 2k4n s HIS 25 CO 0.24 -0.67 0.06 -0.51 -0.85 0.00 0.00 174.74 173.00 2k4n s LEU 26 N 2.22 3.16 0.18 0.89 1.43 -0.09 -4.35 118.68 122.11 2k4n s LEU 26 Ca 0.14 -0.79 -0.32 0.00 -1.03 0.00 0.00 54.13 52.13 2k4n s LEU 26 Cb -0.16 -1.62 -0.11 0.00 0.03 0.00 0.00 46.19 44.33 2k4n s LEU 26 CO 0.14 -0.18 1.64 -0.75 0.23 0.00 0.00 176.35 177.43 2k4n s LYS 27 N -3.75 4.18 0.29 1.70 2.20 -1.26 -4.56 119.74 118.53 2k4n s LYS 27 Ca 0.35 2.46 0.03 0.00 -0.36 0.00 0.00 55.97 58.45 2k4n s LYS 27 Cb -0.03 -3.16 0.66 0.00 -1.51 0.00 0.00 37.83 33.79 2k4n s LYS 27 CO 0.21 -0.68 1.76 -1.35 -0.36 0.00 0.00 175.35 174.93 2k4n h PRO 28 N 6.93 0.64 0.03 4.03 0.11 -1.95 0.40 132.00 142.20 2k4n h PRO 28 Ca -0.43 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.67 2k4n h PRO 28 Cb 1.20 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 2k4n h PRO 28 CO 0.93 0.43 -0.30 1.49 -0.21 0.00 0.00 178.00 180.34 2k4n h GLU 29 N 0.66 -0.45 -0.36 1.05 4.81 -1.95 -0.86 114.58 117.48 2k4n h GLU 29 Ca 0.54 0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.66 2k4n h GLU 29 Cb 0.84 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2k4n h GLU 29 CO -0.40 -0.30 -0.32 0.28 -0.73 0.00 0.00 179.01 177.55 2k4n h VAL 30 N -0.46 1.28 -0.87 0.32 2.07 -1.62 -3.00 116.25 113.97 2k4n h VAL 30 Ca 0.05 -1.48 0.12 0.00 0.82 0.00 0.00 66.70 66.21 2k4n h VAL 30 Cb 0.53 1.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.64 2k4n h VAL 30 CO -0.23 0.49 0.49 0.15 0.02 0.00 0.00 177.57 178.49 2k4n h PHE 31 N 0.65 0.87 -0.75 1.57 3.04 -0.11 0.95 116.94 123.16 2k4n h PHE 31 Ca 0.06 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.07 2k4n h PHE 31 Cb 0.90 -0.26 -0.04 0.00 2.56 0.00 0.00 35.95 39.10 2k4n h PHE 31 CO 0.07 0.30 0.48 -0.92 -2.02 0.00 0.00 178.31 176.22 2k4n h TYR 32 N 0.76 0.91 0.11 0.41 3.20 -1.01 0.24 116.97 121.58 2k4n h TYR 32 Ca 0.44 0.02 -0.28 0.00 3.14 0.00 0.00 58.73 62.06 2k4n h TYR 32 Cb 0.51 -0.30 0.02 0.00 1.54 0.00 0.00 36.73 38.49 2k4n h TYR 32 CO -0.06 0.54 -1.19 0.93 -1.64 0.00 0.00 178.16 176.74 2k4n h GLU 33 N 0.96 0.44 -0.59 1.82 5.08 -1.27 -2.96 114.58 118.06 2k4n h GLU 33 Ca 0.29 -0.62 -0.03 0.00 -1.00 0.00 0.00 59.36 58.00 2k4n h GLU 33 Cb -0.04 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2k4n h GLU 33 CO -0.09 1.26 0.24 0.28 -1.00 0.00 0.00 179.01 179.70 2k4n h VAL 34 N 0.18 1.21 -0.68 3.13 2.07 -0.62 -0.88 116.25 120.65 2k4n h VAL 34 Ca -0.15 -0.64 0.07 0.00 0.82 0.00 0.00 66.70 66.80 2k4n h VAL 34 Cb 1.87 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 32.08 2k4n h VAL 34 CO 0.21 0.26 0.36 -0.25 0.02 0.00 0.00 177.57 178.17 2k4n h TRP 35 N 0.84 0.65 -0.03 1.57 7.01 -0.46 0.49 115.95 126.02 2k4n h TRP 35 Ca 0.20 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 61.08 2k4n h TRP 35 Cb 0.15 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.01 2k4n h TRP 35 CO 0.01 0.28 -0.67 0.87 -2.79 0.00 0.00 178.44 176.14 2k4n h LYS 36 N 0.64 0.14 -0.52 2.65 1.57 -1.24 0.18 116.57 119.99 2k4n h LYS 36 Ca 0.32 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.88 2k4n h LYS 36 Cb 0.27 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2k4n h LYS 36 CO -0.22 0.75 -0.10 -0.92 -0.57 0.00 0.00 179.45 178.39 2k4n h TYR 37 N 0.10 1.10 0.00 -1.35 3.20 -0.25 -2.82 116.97 116.94 2k4n h TYR 37 Ca -0.01 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.63 2k4n h TYR 37 Cb 1.19 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.19 2k4n h TYR 37 CO 0.01 1.03 0.00 1.33 -1.64 0.00 0.00 178.16 178.90 2k4n n VAL 38 N -4.19 0.00 0.00 1.81 0.24 0.07 -4.82 118.33 111.45 2k4n n VAL 38 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2k4n n VAL 38 Cb 0.39 -0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.45 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 0.72 0.77 2.97 7.63 0.00 -1.06 -4.68 105.19 111.54 2k4n n GLY 39 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 2k4n n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k4n n GLU 40 N -1.74 -2.17 -1.75 1.61 1.02 0.61 -4.99 120.64 113.24 2k4n n GLU 40 Ca 0.00 1.94 -0.30 0.00 -0.02 0.00 0.00 57.16 58.78 2k4n n GLU 40 Cb 0.00 -5.26 0.17 0.00 -0.02 0.00 0.00 31.44 26.33 2k4n n GLU 40 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 2k4n s PRO 41 N -2.70 0.71 0.07 3.49 0.02 -1.26 -5.03 135.00 130.30 2k4n s PRO 41 Ca 0.22 -0.16 -0.28 0.00 0.02 0.00 0.00 61.00 60.79 2k4n s PRO 41 Cb -0.06 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.58 2k4n s PRO 41 CO 0.78 -2.41 0.90 -1.21 -0.33 0.00 0.00 177.00 174.74 2k4n s GLU 42 N -5.68 4.62 -0.12 5.54 2.02 -1.26 -4.98 118.70 118.84 2k4n s GLU 42 Ca 0.70 1.33 -0.29 0.00 0.02 0.00 0.00 54.97 56.72 2k4n s GLU 42 Cb -0.08 -3.39 -0.03 0.00 0.10 0.00 0.00 34.13 30.74 2k4n s GLU 42 CO 0.53 0.19 1.35 -0.51 0.02 0.00 0.00 175.26 176.83 2k4n s LEU 43 N 0.17 4.23 -0.30 1.80 1.43 -1.26 -4.92 118.68 119.83 2k4n s LEU 43 Ca 0.45 1.85 -0.15 0.00 -1.03 0.00 0.00 54.13 55.26 2k4n s LEU 43 Cb -0.22 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 2k4n s LEU 43 CO 0.27 -0.78 0.35 -0.54 0.23 0.00 0.00 176.35 175.89 2k4n s LYS 44 N 3.40 3.86 -0.02 1.70 1.02 -0.82 -4.96 119.74 123.91 2k4n s LYS 44 Ca 0.59 -0.14 0.02 0.00 0.02 0.00 0.00 55.97 56.46 2k4n s LYS 44 Cb -0.25 -3.71 -0.03 0.00 -0.52 0.00 0.00 37.83 33.32 2k4n s LYS 44 CO 0.19 -0.35 -0.04 0.95 -0.92 0.00 0.00 175.35 175.18 2k4n s THR 45 N 2.03 3.88 -0.05 2.17 -4.23 -1.26 -0.25 115.64 117.93 2k4n s THR 45 Ca 0.13 -0.61 0.04 0.00 -1.18 0.00 0.00 61.69 60.07 2k4n s THR 45 Cb -0.16 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.00 2k4n s THR 45 CO 0.11 0.45 -0.16 -0.72 -0.54 0.00 0.00 174.62 173.75 2k4n s TYR 46 N -0.98 1.71 -0.19 3.99 1.13 0.18 -4.96 117.35 118.23 2k4n s TYR 46 Ca 0.17 -0.55 -0.17 0.00 -1.41 0.00 0.00 57.07 55.11 2k4n s TYR 46 Cb -0.11 -1.17 -0.04 0.00 -1.10 0.00 0.00 41.96 39.54 2k4n s TYR 46 CO 0.07 -0.21 0.42 0.08 -2.51 0.00 0.00 175.55 173.40 2k4n s VAL 47 N 0.22 5.19 -0.07 -3.49 1.01 -1.26 -1.22 120.40 120.77 2k4n s VAL 47 Ca -0.08 0.78 0.03 0.00 0.00 0.00 0.00 61.98 62.71 2k4n s VAL 47 Cb -0.13 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.50 2k4n s VAL 47 CO 0.03 0.25 -0.17 0.27 0.00 0.00 0.00 175.10 175.49 2k4n s ILE 48 N 1.24 1.46 -0.56 2.22 -4.36 0.13 -4.99 121.20 116.34 2k4n s ILE 48 Ca 0.21 -0.68 -0.13 0.00 -0.26 0.00 0.00 60.65 59.78 2k4n s ILE 48 Cb -0.15 -1.29 0.14 0.00 1.25 0.00 0.00 42.46 42.41 2k4n s ILE 48 CO 0.08 0.42 0.49 -1.61 0.24 0.00 0.00 174.94 174.57 2k4n s GLU 49 N 0.45 2.91 0.27 0.37 2.02 -1.26 -1.64 118.70 121.82 2k4n s GLU 49 Ca -0.14 -1.85 -0.04 0.00 0.02 0.00 0.00 54.97 52.96 2k4n s GLU 49 Cb -0.16 -4.19 -0.05 0.00 0.10 0.00 0.00 34.13 29.83 2k4n s GLU 49 CO 0.05 -1.28 0.53 0.16 0.02 0.00 0.00 175.26 174.73 2k4n s ASP 50 N 3.05 6.43 -0.36 -0.19 -4.77 -0.85 -4.75 116.67 115.23 2k4n s ASP 50 Ca 0.06 0.66 -0.10 0.00 -3.30 0.00 0.00 52.55 49.87 2k4n s ASP 50 Cb -0.26 -2.12 0.02 0.00 -1.09 0.00 0.00 42.92 39.48 2k4n s ASP 50 CO 0.00 -0.17 0.18 -1.61 0.70 0.00 0.00 175.17 174.27 2k4n s GLU 51 N -3.52 2.87 -0.08 2.11 2.02 -1.26 -0.23 118.70 120.61 2k4n s GLU 51 Ca 0.43 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 54.38 2k4n s GLU 51 Cb -0.11 -3.65 -0.03 0.00 0.10 0.00 0.00 34.13 30.44 2k4n s GLU 51 CO 0.30 -0.65 -0.07 0.96 0.02 0.00 0.00 175.26 175.83 2k4n s ILE 52 N 1.53 3.73 -0.53 -1.63 -4.36 0.12 -4.90 121.20 115.16 2k4n s ILE 52 Ca 0.02 -0.47 -0.09 0.00 -0.26 0.00 0.00 60.65 59.86 2k4n s ILE 52 Cb -0.19 -2.53 0.14 0.00 1.25 0.00 0.00 42.46 41.13 2k4n s ILE 52 CO 0.06 0.59 0.40 0.68 0.24 0.00 0.00 174.94 176.91 2k4n s VAL 53 N -0.72 4.27 0.18 8.37 -7.23 -1.26 -0.55 120.40 123.46 2k4n s VAL 53 Ca 0.11 -2.04 -0.18 0.00 -1.81 0.00 0.00 61.98 58.06 2k4n s VAL 53 Cb -0.11 -3.79 -0.08 0.00 0.56 0.00 0.00 36.38 32.96 2k4n s VAL 53 CO 0.02 -0.82 0.65 -1.83 -0.31 0.00 0.00 175.10 172.81 2k4n s GLU 54 N 1.02 4.17 1.38 4.82 -1.05 -1.26 -5.04 118.70 122.73 2k4n s GLU 54 Ca 0.09 0.74 -0.22 0.00 -0.15 0.00 0.00 54.97 55.43 2k4n s GLU 54 Cb -0.24 -2.96 0.35 0.00 -0.44 0.00 0.00 34.13 30.85 2k4n s GLU 54 CO -0.02 0.46 0.96 -2.14 0.95 0.00 0.00 175.26 175.47 2k4n s PRO 55 N -1.83 -2.63 -0.30 -4.83 0.02 -1.26 -5.01 135.00 119.17 2k4n s PRO 55 Ca 0.39 0.16 0.18 0.00 0.02 0.00 0.00 61.00 61.75 2k4n s PRO 55 Cb -0.17 -1.41 0.48 0.00 0.02 0.00 0.00 34.50 33.42 2k4n s PRO 55 CO 0.20 -4.68 1.08 0.41 -0.33 0.00 0.00 177.00 173.68 2k4n n GLY 56 N 1.07 2.77 0.33 0.52 0.00 -1.26 -4.80 105.19 103.81 2k4n n GLY 56 Ca 0.12 -1.51 -0.05 0.00 0.00 0.00 0.00 46.02 44.57 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 2.65 1.08 -5.85 1.61 5.08 -2.06 -3.41 114.58 113.69 2k4n h GLU 57 Ca -0.01 -0.23 -0.67 0.00 -1.00 0.00 0.00 59.36 57.46 2k4n h GLU 57 Cb 1.26 -0.16 -0.31 0.00 0.50 0.00 0.00 28.75 30.03 2k4n h GLU 57 CO 0.41 0.92 -0.88 0.71 -1.00 0.00 0.00 179.01 179.18 2k4n s TYR 58 N -5.37 2.30 -0.08 4.33 2.02 -1.26 -5.10 117.35 114.19 2k4n s TYR 58 Ca -0.12 -0.69 -0.30 0.00 -0.37 0.00 0.00 57.07 55.59 2k4n s TYR 58 Cb 0.15 -1.52 -0.03 0.00 -0.40 0.00 0.00 41.96 40.16 2k4n s TYR 58 CO 0.83 -0.22 1.31 0.16 -1.57 0.00 0.00 175.55 176.07 2k4n s ASP 59 N -0.10 6.93 0.64 2.29 -4.77 -1.26 -5.01 116.67 115.39 2k4n s ASP 59 Ca -0.04 1.88 -0.16 0.00 -3.30 0.00 0.00 52.55 50.93 2k4n s ASP 59 Cb -0.14 -2.55 -0.01 0.00 -1.09 0.00 0.00 42.92 39.14 2k4n s ASP 59 CO 0.04 -0.71 1.14 -2.84 0.70 0.00 0.00 175.17 173.50 2k4n s PRO 60 N 2.85 2.81 0.37 2.11 0.02 -1.26 -4.93 135.00 136.96 2k4n s PRO 60 Ca 0.59 1.54 0.27 0.00 0.02 0.00 0.00 61.00 63.42 2k4n s PRO 60 Cb -0.26 -1.94 1.28 0.00 0.02 0.00 0.00 34.50 33.60 2k4n s PRO 60 CO 0.21 -1.27 1.82 -1.35 -0.33 0.00 0.00 177.00 176.08 2k4n h PRO 61 N 0.28 0.00 -6.31 5.54 0.11 -2.04 -3.41 132.00 126.17 2k4n h PRO 61 Ca -0.48 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.06 2k4n h PRO 61 Cb 1.26 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 2k4n h PRO 61 CO 0.54 0.00 0.88 -2.00 -0.21 0.00 0.00 178.00 177.21 2k4n s GLU 62 N -3.54 4.05 0.20 1.05 2.12 -1.26 -4.89 118.70 116.42 2k4n s GLU 62 Ca 0.01 1.15 0.25 0.00 0.36 0.00 0.00 54.97 56.74 2k4n s GLU 62 Cb 0.09 -3.77 0.51 0.00 0.26 0.00 0.00 34.13 31.22 2k4n s GLU 62 CO 0.36 -0.94 1.52 0.52 -0.54 0.00 0.00 175.26 176.19 2k4n h MET 63 N 8.36 0.00 -4.03 4.30 2.86 -2.02 -3.36 114.93 121.04 2k4n h MET 63 Ca -0.22 0.00 -0.74 0.00 -2.06 0.00 0.00 59.70 56.68 2k4n h MET 63 Cb 1.07 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.60 2k4n h MET 63 CO 1.03 0.00 2.16 1.63 1.06 0.00 0.00 176.91 182.79 2k4n n LYS 64 N -2.33 3.37 -1.91 1.72 5.02 -1.26 -4.98 118.16 117.80 2k4n n LYS 64 Ca 0.04 -3.36 -0.42 0.00 -2.02 0.00 0.00 58.31 52.55 2k4n n LYS 64 Cb 0.45 -3.07 -0.03 0.00 -0.02 0.00 0.00 35.03 32.36 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 1.53 1.94 -0.16 2.13 2.02 -1.26 -4.99 117.35 118.56 2k4n s TYR 65 Ca 0.43 0.08 -0.07 0.00 -0.37 0.00 0.00 57.07 57.14 2k4n s TYR 65 Cb 0.08 -4.00 -0.04 0.00 -0.40 0.00 0.00 41.96 37.59 2k4n s TYR 65 CO -0.01 -4.25 0.07 0.95 -1.57 0.00 0.00 175.55 170.74 2k4n s THR 66 N 3.75 4.92 0.14 -0.71 -4.23 -1.26 -5.01 115.64 113.25 2k4n s THR 66 Ca 0.77 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 61.07 2k4n s THR 66 Cb -0.37 -3.19 0.01 0.00 1.34 0.00 0.00 72.50 70.29 2k4n s THR 66 CO 0.33 0.50 1.66 0.78 -0.54 0.00 0.00 174.62 177.35 2k4n h ASN 67 N 6.20 -0.55 -3.53 3.99 2.35 -1.99 -3.40 115.58 118.65 2k4n h ASN 67 Ca -0.42 0.11 -0.67 0.00 -0.55 0.00 0.00 56.30 54.77 2k4n h ASN 67 Cb 1.18 0.27 -0.28 0.00 0.05 0.00 0.00 38.32 39.54 2k4n h ASN 67 CO 0.67 -0.21 -0.81 -0.69 -1.65 0.00 0.00 177.43 174.74 2k4n s VAL 68 N -6.14 2.71 -0.44 2.81 1.01 -1.26 -4.79 120.40 114.30 2k4n s VAL 68 Ca -0.14 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 60.89 2k4n s VAL 68 Cb 0.11 -2.09 0.05 0.00 0.00 0.00 0.00 36.38 34.45 2k4n s VAL 68 CO 0.68 0.55 0.34 -0.75 0.00 0.00 0.00 175.10 175.92 2k4n s LYS 69 N 0.11 2.96 -0.32 2.72 2.47 0.29 -4.93 119.74 123.05 2k4n s LYS 69 Ca -0.08 -1.18 -0.25 0.00 -1.56 0.00 0.00 55.97 52.90 2k4n s LYS 69 Cb -0.15 -4.04 0.01 0.00 -1.46 0.00 0.00 37.83 32.19 2k4n s LYS 69 CO 0.05 -0.88 0.85 0.21 0.16 0.00 0.00 175.35 175.74 2k4n s LYS 70 N 1.65 3.95 -0.16 4.03 2.20 -1.26 -0.71 119.74 129.45 2k4n s LYS 70 Ca 0.04 0.64 -0.07 0.00 -0.36 0.00 0.00 55.97 56.22 2k4n s LYS 70 Cb -0.21 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 32.32 2k4n s LYS 70 CO 0.08 -0.76 0.09 0.08 -0.36 0.00 0.00 175.35 174.48 2k4n s VAL 71 N 3.13 5.01 -0.77 4.02 1.01 0.68 -4.91 120.40 128.58 2k4n s VAL 71 Ca 0.35 0.04 -0.23 0.00 0.00 0.00 0.00 61.98 62.14 2k4n s VAL 71 Cb -0.14 -3.23 0.07 0.00 0.00 0.00 0.00 36.38 33.09 2k4n s VAL 71 CO 0.14 0.52 1.10 -0.54 0.00 0.00 0.00 175.10 176.32 2k4n s LYS 72 N -0.16 3.27 -0.15 2.72 1.02 -1.26 -2.01 119.74 123.16 2k4n s LYS 72 Ca 0.08 -0.94 -0.03 0.00 0.02 0.00 0.00 55.97 55.10 2k4n s LYS 72 Cb -0.12 -4.48 -0.03 0.00 -0.52 0.00 0.00 37.83 32.69 2k4n s LYS 72 CO 0.01 -1.91 -0.05 -1.50 -0.92 0.00 0.00 175.35 170.98 2k4n s ILE 73 N 4.19 3.75 -0.28 2.17 2.07 -0.65 -4.97 121.20 127.47 2k4n s ILE 73 Ca 0.29 -0.41 -0.06 0.00 -1.41 0.00 0.00 60.65 59.06 2k4n s ILE 73 Cb -0.11 -2.64 0.01 0.00 0.13 0.00 0.00 42.46 39.85 2k4n s ILE 73 CO 0.05 0.50 0.06 -0.75 -1.91 0.00 0.00 174.94 172.89 2k4n s LYS 74 N 0.37 3.15 0.37 3.50 2.20 -1.26 -0.69 119.74 127.38 2k4n s LYS 74 Ca -0.05 -0.81 0.07 0.00 -0.36 0.00 0.00 55.97 54.82 2k4n s LYS 74 Cb -0.14 -3.31 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 2k4n s LYS 74 CO 0.03 -0.40 0.39 0.15 -0.36 0.00 0.00 175.35 175.17 2k4n s LYS 75 N 1.50 2.78 0.07 4.03 1.02 -0.36 -4.17 119.74 124.61 2k4n s LYS 75 Ca 0.03 -1.28 0.09 0.00 0.02 0.00 0.00 55.97 54.82 2k4n s LYS 75 Cb -0.17 -2.57 -0.03 0.00 -0.52 0.00 0.00 37.83 34.54 2k4n s LYS 75 CO 0.02 -0.04 -0.24 0.54 -0.92 0.00 0.00 175.35 174.72 2k4n s VAL 76 N -2.32 1.93 0.17 3.17 0.11 -1.05 -0.64 120.40 121.76 2k4n s VAL 76 Ca 0.46 -1.43 -0.11 0.00 -2.93 0.00 0.00 61.98 57.96 2k4n s VAL 76 Cb -0.07 -1.69 0.00 0.00 -1.53 0.00 0.00 36.38 33.10 2k4n s VAL 76 CO 0.29 0.17 0.35 -0.72 -3.33 0.00 0.00 175.10 171.86 2k4n s TYR 77 N -0.93 0.24 0.05 1.54 -0.85 0.65 -1.32 117.35 116.73 2k4n s TYR 77 Ca 0.10 -0.60 0.03 0.00 -0.52 0.00 0.00 57.07 56.08 2k4n s TYR 77 Cb -0.10 0.07 -0.02 0.00 0.38 0.00 0.00 41.96 42.29 2k4n s TYR 77 CO 0.03 -0.77 -0.10 -0.59 -1.52 0.00 0.00 175.55 172.61 2k4n s PHE 78 N -3.94 0.84 -0.12 -3.49 -0.12 -0.92 -1.95 117.98 108.28 2k4n s PHE 78 Ca 0.14 -0.46 -0.06 0.00 -0.05 0.00 0.00 56.93 56.51 2k4n s PHE 78 Cb 0.02 -0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 41.88 2k4n s PHE 78 CO -0.01 -0.04 0.09 -1.21 -0.05 0.00 0.00 175.22 174.00 2k4n s GLU 79 N -1.52 3.41 0.91 1.99 2.02 -1.26 -1.72 118.70 122.52 2k4n s GLU 79 Ca -0.07 -0.24 -0.12 0.00 0.02 0.00 0.00 54.97 54.56 2k4n s GLU 79 Cb -0.09 -3.09 0.19 0.00 0.10 0.00 0.00 34.13 31.24 2k4n s GLU 79 CO 0.01 0.67 1.25 0.95 0.02 0.00 0.00 175.26 178.15 2k4n s THR 80 N -0.74 2.02 0.48 3.63 -4.23 -0.82 -4.88 115.64 111.10 2k4n s THR 80 Ca 0.13 -0.16 0.23 0.00 -1.18 0.00 0.00 61.69 60.70 2k4n s THR 80 Cb -0.12 -2.86 0.27 0.00 1.34 0.00 0.00 72.50 71.13 2k4n s THR 80 CO 0.03 0.00 2.10 -0.07 -0.54 0.00 0.00 174.62 176.14 2k4n h LEU 81 N -1.38 0.00 -3.17 4.79 4.07 -1.92 0.03 115.31 117.73 2k4n h LEU 81 Ca -0.42 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.54 2k4n h LEU 81 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 2k4n h LEU 81 CO 0.37 0.10 0.00 -0.90 -1.08 0.00 0.00 178.44 176.92 2k4n n ASP 82 N -3.99 4.90 -2.39 -0.43 5.75 -1.26 -4.95 116.55 114.18 2k4n n ASP 82 Ca -0.02 -2.47 -0.18 0.00 -0.01 0.00 0.00 54.79 52.10 2k4n n ASP 82 Cb 0.18 -0.60 0.02 0.00 -1.03 0.00 0.00 41.12 39.70 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 1.15 -5.20 -4.72 -1.12 5.03 -0.00 -5.00 115.26 105.41 2k4n n ASN 83 Ca 0.26 -0.21 -0.38 0.00 0.87 0.00 0.00 54.58 55.13 2k4n n ASN 83 Cb 0.92 -4.08 -0.06 0.00 -1.02 0.00 0.00 39.78 35.55 2k4n n ASN 83 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2k4n s VAL 84 N -3.03 5.15 -0.35 2.41 1.01 -1.26 -4.80 120.40 119.54 2k4n s VAL 84 Ca 0.22 1.06 -0.14 0.00 0.00 0.00 0.00 61.98 63.12 2k4n s VAL 84 Cb -0.09 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 2k4n s VAL 84 CO 0.27 0.30 0.29 -0.13 0.00 0.00 0.00 175.10 175.83 2k4n s ARG 85 N 0.74 3.48 -0.39 2.72 0.52 -0.96 -1.95 118.95 123.11 2k4n s ARG 85 Ca 0.28 -0.59 -0.22 0.00 -0.52 0.00 0.00 55.73 54.69 2k4n s ARG 85 Cb -0.16 -3.82 0.01 0.00 0.52 0.00 0.00 34.95 31.50 2k4n s ARG 85 CO 0.12 -0.50 0.70 0.08 0.02 0.00 0.00 175.30 175.72 2k4n s VAL 86 N 1.84 4.80 0.08 3.52 1.01 -0.70 -0.69 120.40 130.25 2k4n s VAL 86 Ca 0.08 0.56 0.07 0.00 0.00 0.00 0.00 61.98 62.69 2k4n s VAL 86 Cb -0.17 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2k4n s VAL 86 CO 0.11 -0.46 -0.11 -0.69 0.00 0.00 0.00 175.10 173.95 2k4n s VAL 87 N 2.93 3.29 0.27 2.92 1.01 0.13 -2.16 120.40 128.79 2k4n s VAL 87 Ca 0.27 -1.19 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 2k4n s VAL 87 Cb -0.14 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.75 2k4n s VAL 87 CO 0.17 0.19 0.50 0.28 0.00 0.00 0.00 175.10 176.25 2k4n s THR 88 N -1.13 0.00 -0.35 3.92 -1.32 -0.44 -0.91 115.64 115.42 2k4n s THR 88 Ca 0.19 -1.39 -0.29 0.00 -1.21 0.00 0.00 61.69 58.99 2k4n s THR 88 Cb -0.11 -2.29 -0.00 0.00 -1.51 0.00 0.00 72.50 68.59 2k4n s THR 88 CO 0.11 0.00 1.49 -0.62 -2.21 0.00 0.00 174.62 173.40 2k4n s ASP 89 N -3.04 6.32 0.51 8.08 2.15 -1.26 -2.54 116.67 126.89 2k4n s ASP 89 Ca 0.23 1.11 0.30 0.00 0.43 0.00 0.00 52.55 54.61 2k4n s ASP 89 Cb -0.01 -2.54 1.09 0.00 -0.30 0.00 0.00 42.92 41.17 2k4n s ASP 89 CO 0.10 -1.39 1.89 0.22 -0.17 0.00 0.00 175.17 175.82 2k4n h TYR 90 N 10.84 0.00 0.73 -5.34 3.20 -1.88 -1.48 116.97 123.03 2k4n h TYR 90 Ca -0.29 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.54 2k4n h TYR 90 Cb 1.12 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.40 2k4n h TYR 90 CO 0.94 0.06 -0.35 0.77 -1.64 0.00 0.00 178.16 177.94 2k4n h SER 91 N 0.00 -0.83 -0.10 -2.11 0.02 -1.90 0.14 113.55 108.78 2k4n h SER 91 Ca -0.00 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 2k4n h SER 91 Cb 0.65 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 2k4n h SER 91 CO 0.01 -0.51 -0.25 -0.08 -1.14 0.00 0.00 176.83 174.85 2k4n h GLU 92 N -1.11 0.55 -0.33 3.45 4.81 -1.97 -2.60 114.58 117.38 2k4n h GLU 92 Ca -0.10 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2k4n h GLU 92 Cb 0.77 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 2k4n h GLU 92 CO 0.16 0.76 0.21 0.35 -0.73 0.00 0.00 179.01 179.76 2k4n h PHE 93 N 0.48 0.40 -1.01 0.92 3.57 -1.18 -0.10 116.94 120.03 2k4n h PHE 93 Ca 0.07 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.62 2k4n h PHE 93 Cb 0.70 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.24 2k4n h PHE 93 CO 0.03 0.25 0.66 1.96 -2.23 0.00 0.00 178.31 178.98 2k4n h GLN 94 N 0.44 1.23 -0.79 1.11 4.20 -0.57 -1.35 115.11 119.38 2k4n h GLN 94 Ca 0.12 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 2k4n h GLN 94 Cb -0.04 -0.28 -0.03 0.00 0.30 0.00 0.00 27.48 27.43 2k4n h GLN 94 CO -0.04 0.82 0.31 -0.22 -0.67 0.00 0.00 178.83 179.04 2k4n h LYS 95 N 1.27 1.18 -0.60 1.46 3.64 -0.94 -1.46 116.57 121.12 2k4n h LYS 95 Ca 0.40 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 2k4n h LYS 95 Cb 0.01 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 2k4n h LYS 95 CO -0.13 0.96 0.22 0.82 -2.27 0.00 0.00 179.45 179.05 2k4n h ILE 96 N 1.15 1.24 -0.71 2.00 2.04 -0.34 0.39 117.51 123.27 2k4n h ILE 96 Ca 0.26 -0.77 0.04 0.00 1.00 0.00 0.00 64.86 65.40 2k4n h ILE 96 Cb 0.22 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 2k4n h ILE 96 CO -0.02 0.30 0.43 -0.07 0.00 0.00 0.00 178.15 178.78 2k4n h LEU 97 N 0.85 0.68 -0.30 1.44 -0.00 -0.84 0.08 115.31 117.21 2k4n h LEU 97 Ca 0.20 0.01 -0.14 0.00 -0.00 0.00 0.00 57.88 57.95 2k4n h LEU 97 Cb 0.24 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 40.77 2k4n h LEU 97 CO -0.01 0.46 -0.34 0.11 -0.00 0.00 0.00 178.44 178.66 2k4n h LYS 98 N 0.82 0.77 -0.13 1.13 1.57 -0.89 -0.32 116.57 119.51 2k4n h LYS 98 Ca 0.30 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2k4n h LYS 98 Cb 0.09 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2k4n h LYS 98 CO -0.14 1.05 0.08 -0.22 -0.57 0.00 0.00 179.45 179.65 2k4n h LYS 99 N 0.53 0.17 0.01 3.15 3.64 0.28 -2.83 116.57 121.52 2k4n h LYS 99 Ca 0.04 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.21 2k4n h LYS 99 Cb 0.92 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 2k4n h LYS 99 CO 0.08 0.13 -0.94 -0.09 -2.27 0.00 0.00 179.45 176.36 2k4n h ARG 100 N 0.17 0.03 -1.33 1.90 2.43 -1.06 -3.48 114.38 113.03 2k4n h ARG 100 Ca 0.05 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2k4n h ARG 100 Cb -0.00 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2k4n h ARG 100 CO -0.01 0.94 0.00 0.41 -1.51 0.00 0.00 179.97 179.80 2k4n n GLY 101 N 1.13 0.69 0.17 2.80 0.00 -0.19 -4.98 105.19 104.81 2k4n n GLY 101 Ca -0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.46 2k4n n GLY 101 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k4n h THR 102 N 0.00 1.39 -3.28 2.61 2.02 -1.70 -3.44 112.91 110.51 2k4n h THR 102 Ca 0.00 -2.02 -0.65 0.00 0.77 0.00 0.00 66.41 64.51 2k4n h THR 102 Cb 0.86 2.03 -0.11 0.00 -1.74 0.00 0.00 68.15 69.20 2k4n h THR 102 CO 0.00 0.60 -0.64 -0.54 0.37 0.00 0.00 175.52 175.31 2k4n s LYS 103 N -3.72 2.68 0.42 6.66 1.02 -1.26 -5.09 119.74 120.44 2k4n s LYS 103 Ca -0.04 -0.78 -0.25 0.00 0.02 0.00 0.00 55.97 54.92 2k4n s LYS 103 Cb 0.12 -2.61 -0.08 0.00 -0.52 0.00 0.00 37.83 34.73 2k4n s LYS 103 CO 0.80 0.55 1.17 -0.51 -0.92 0.00 0.00 175.35 176.44 2k4n s LEU 104 N -2.34 4.14 -0.01 3.17 1.43 -1.26 -4.97 118.68 118.84 2k4n s LEU 104 Ca 0.27 2.33 -0.24 0.00 -1.03 0.00 0.00 54.13 55.46 2k4n s LEU 104 Cb -0.12 -4.09 -0.18 0.00 0.03 0.00 0.00 46.19 41.84 2k4n s LEU 104 CO 0.20 -0.74 1.19 -0.33 0.23 0.00 0.00 176.35 176.90 2k4n h GLU 105 N 2.47 -0.21 -5.95 1.70 5.08 -1.98 -3.44 114.58 112.25 2k4n h GLU 105 Ca -0.49 0.01 -0.67 0.00 -1.00 0.00 0.00 59.36 57.22 2k4n h GLU 105 Cb 1.24 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.42 2k4n h GLU 105 CO 0.62 0.18 -0.58 -1.01 -1.00 0.00 0.00 179.01 177.22 2k4n s HIS 106 N -4.32 3.28 -0.16 4.33 3.76 -1.26 -5.10 115.29 115.82 2k4n s HIS 106 Ca -0.14 0.25 -0.08 0.00 -0.15 0.00 0.00 55.06 54.93 2k4n s HIS 106 Cb 0.02 -1.78 -0.04 0.00 1.11 0.00 0.00 32.58 31.88 2k4n s HIS 106 CO 0.58 0.55 0.12 -1.01 -0.85 0.00 0.00 174.74 174.13 2k4n s HIS 107 N -1.06 3.46 0.18 1.40 3.76 -1.26 -4.97 115.29 116.78 2k4n s HIS 107 Ca 0.18 0.37 0.09 0.00 -0.15 0.00 0.00 55.06 55.56 2k4n s HIS 107 Cb -0.12 -2.06 0.07 0.00 1.11 0.00 0.00 32.58 31.59 2k4n s HIS 107 CO 0.08 0.45 1.44 0.45 -0.85 0.00 0.00 174.74 176.32 2k4n h HIS 108 N 5.99 0.00 -3.70 1.40 3.86 -2.00 -3.42 115.15 117.27 2k4n h HIS 108 Ca -0.46 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.24 2k4n h HIS 108 Cb 1.18 0.00 -0.32 0.00 1.06 0.00 0.00 27.41 29.33 2k4n h HIS 108 CO 0.65 0.80 -0.82 -1.58 0.86 0.00 0.00 177.93 177.84 2k4n s HIS 109 N -3.13 1.42 0.18 2.45 5.65 -1.26 -5.13 115.29 115.46 2k4n s HIS 109 Ca 0.00 -0.44 -0.28 0.00 0.25 0.00 0.00 55.06 54.59 2k4n s HIS 109 Cb 0.11 -1.00 -0.08 0.00 -1.18 0.00 0.00 32.58 30.44 2k4n s HIS 109 CO 0.79 -0.19 0.88 -1.01 -0.65 0.00 0.00 174.74 174.56 2k4n s HIS 110 N 0.31 3.91 -2.86 3.88 0.09 -1.26 -5.21 115.29 114.15 2k4n s HIS 110 Ca -0.08 1.78 0.25 0.00 -0.00 0.00 0.00 55.06 57.01 2k4n s HIS 110 Cb -0.12 -2.92 0.42 0.00 -0.00 0.00 0.00 32.58 29.96 2k4n s HIS 110 CO 0.02 0.42 1.39 0.72 -0.00 0.00 0.00 174.74 177.29