#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kk4 n GLY 2 N 0.00 -1.09 1.91 -5.12 0.00 -1.26 -5.02 105.19 94.61 1kk4 n GLY 2 Ca 0.00 -2.22 -0.14 0.00 0.00 0.00 0.00 46.02 43.66 1kk4 n GLY 2 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kk4 n PRO 3 N -0.28 -0.47 -3.36 1.61 -0.04 -1.26 -5.02 135.00 126.18 1kk4 n PRO 3 Ca 0.00 -1.08 -0.44 0.00 -0.04 0.00 0.00 63.50 61.94 1kk4 n PRO 3 Cb 0.00 -0.61 -0.07 0.00 -0.04 0.00 0.00 33.50 32.78 1kk4 n PRO 3 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1kk4 s ASN 4 N -3.33 6.16 0.00 3.54 3.84 -1.26 -4.95 114.94 118.94 1kk4 s ASN 4 Ca 0.36 -1.27 0.01 0.00 0.21 0.00 0.00 52.86 52.18 1kk4 s ASN 4 Cb -0.01 -2.20 0.05 0.00 -0.55 0.00 0.00 41.25 38.55 1kk4 s ASN 4 CO 0.25 -0.68 0.94 -0.81 -2.79 0.00 0.00 177.10 174.01 1kk4 n PRO 5 N 5.33 0.01 -0.06 0.43 -0.04 -1.26 -0.99 135.00 138.42 1kk4 n PRO 5 Ca -0.12 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 63.84 1kk4 n PRO 5 Cb 0.44 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.57 1kk4 n PRO 5 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1kk4 n MET 6 N -1.39 2.33 -3.49 0.54 2.81 -1.26 -4.51 117.12 112.15 1kk4 n MET 6 Ca 0.00 -1.97 -0.38 0.00 -1.81 0.00 0.00 57.70 53.55 1kk4 n MET 6 Cb 0.01 -1.48 -0.08 0.00 -0.71 0.00 0.00 33.22 30.96 1kk4 n MET 6 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1kk4 s LYS 7 N -1.84 4.13 0.23 0.03 1.02 -0.16 -4.81 119.74 118.34 1kk4 s LYS 7 Ca 0.32 0.02 -0.06 0.00 0.02 0.00 0.00 55.97 56.27 1kk4 s LYS 7 Cb 0.21 -3.54 0.40 0.00 -0.52 0.00 0.00 37.83 34.38 1kk4 s LYS 7 CO 0.31 -0.01 1.74 1.98 -0.92 0.00 0.00 175.35 178.44 1kk4 h MET 8 N 7.47 0.43 -3.92 1.68 4.05 -1.87 -3.29 114.93 119.47 1kk4 h MET 8 Ca -0.37 -0.03 -0.65 0.00 -0.28 0.00 0.00 59.70 58.38 1kk4 h MET 8 Cb 1.16 -0.10 -0.41 0.00 -0.80 0.00 0.00 31.60 31.46 1kk4 h MET 8 CO 0.69 0.28 -0.67 0.71 0.23 0.00 0.00 176.91 178.15 1kk4 s TYR 9 N -6.04 3.40 0.20 1.39 1.51 -1.26 -1.88 117.35 114.67 1kk4 s TYR 9 Ca -0.13 -3.09 -0.10 0.00 -1.01 0.00 0.00 57.07 52.75 1kk4 s TYR 9 Cb 0.19 -2.85 0.14 0.00 -0.11 0.00 0.00 41.96 39.34 1kk4 s TYR 9 CO 0.76 -0.83 1.83 -1.00 -1.11 0.00 0.00 175.55 175.20 1kk4 h PRO 10 N 6.97 1.02 -6.18 -1.71 0.13 -1.78 -3.43 132.00 127.02 1kk4 h PRO 10 Ca -0.06 -0.11 -0.55 0.00 -0.87 0.00 0.00 66.00 64.40 1kk4 h PRO 10 Cb 0.95 -0.20 -0.05 0.00 0.13 0.00 0.00 31.00 31.83 1kk4 h PRO 10 CO 0.62 0.75 0.11 0.42 -0.23 0.00 0.00 178.00 179.66 1kk4 s ILE 11 N -5.89 4.85 0.25 -3.56 1.01 -1.26 -4.81 121.20 111.80 1kk4 s ILE 11 Ca -0.13 1.50 -0.31 0.00 0.00 0.00 0.00 60.65 61.71 1kk4 s ILE 11 Cb 0.15 -4.06 -0.13 0.00 0.01 0.00 0.00 42.46 38.43 1kk4 s ILE 11 CO 0.80 0.34 1.46 -0.62 0.00 0.00 0.00 174.94 176.92 1kk4 n GLU 12 N 3.05 2.21 -4.15 2.79 4.71 -1.26 -2.46 120.64 125.53 1kk4 n GLU 12 Ca -0.03 0.79 -0.35 0.00 -0.01 0.00 0.00 57.16 57.56 1kk4 n GLU 12 Cb 0.51 -2.48 -0.01 0.00 -1.01 0.00 0.00 31.44 28.45 1kk4 n GLU 12 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1kk4 n GLY 13 N 2.15 -0.46 2.67 0.62 0.00 -1.26 -4.95 105.19 103.96 1kk4 n GLY 13 Ca 0.11 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 1kk4 n GLY 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kk4 s ASN 14 N -3.30 1.81 0.00 1.61 3.84 -1.03 -5.00 114.94 112.87 1kk4 s ASN 14 Ca 0.72 -0.28 0.21 0.00 0.21 0.00 0.00 52.86 53.71 1kk4 s ASN 14 Cb -0.38 -0.26 0.18 0.00 -0.55 0.00 0.00 41.25 40.23 1kk4 s ASN 14 CO 0.90 -0.28 1.17 0.29 -2.79 0.00 0.00 177.10 176.39 1kk4 n LYS 15 N 5.25 1.91 0.01 0.43 5.02 -1.26 -4.54 118.16 124.97 1kk4 n LYS 15 Ca -0.06 -1.77 -0.02 0.00 -2.02 0.00 0.00 58.31 54.45 1kk4 n LYS 15 Cb 0.49 -1.40 -0.01 0.00 -0.02 0.00 0.00 35.03 34.09 1kk4 n LYS 15 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1kk4 h SER 16 N 4.06 -0.10 -3.11 4.39 0.87 -1.94 -3.45 113.55 114.27 1kk4 h SER 16 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 1kk4 h SER 16 Cb 0.87 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.86 1kk4 h SER 16 CO 0.00 0.26 0.63 -0.69 -0.53 0.00 0.00 176.83 176.50 1kk4 s VAL 17 N -1.84 3.71 0.01 2.23 1.01 -1.26 -2.27 120.40 121.99 1kk4 s VAL 17 Ca -0.02 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.19 1kk4 s VAL 17 Cb 0.00 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 1kk4 s VAL 17 CO 0.05 0.10 -0.02 0.00 0.00 0.00 0.00 175.10 175.22 1kk4 s GLN 18 N 1.07 0.20 -0.13 2.72 -2.07 -0.70 -4.47 119.66 116.28 1kk4 s GLN 18 Ca 0.61 -0.34 -0.24 0.00 -1.82 0.00 0.00 55.36 53.57 1kk4 s GLN 18 Cb -0.33 0.02 -0.03 0.00 -1.09 0.00 0.00 33.01 31.58 1kk4 s GLN 18 CO 0.30 -0.02 0.73 -0.06 -1.32 0.00 0.00 175.29 174.92 1kk4 s PHE 19 N -0.78 3.48 0.06 9.60 2.99 -0.79 0.01 117.98 132.55 1kk4 s PHE 19 Ca -0.08 1.19 -0.25 0.00 0.00 0.00 0.00 56.93 57.78 1kk4 s PHE 19 Cb -0.05 -2.87 -0.17 0.00 0.00 0.00 0.00 43.02 39.92 1kk4 s PHE 19 CO -0.00 -0.08 1.58 0.82 -0.00 0.00 0.00 175.22 177.54 1kk4 h ILE 20 N 4.99 0.92 -0.82 0.64 2.04 -1.72 -3.35 117.51 120.22 1kk4 h ILE 20 Ca -0.35 -0.27 0.13 0.00 1.00 0.00 0.00 64.86 65.37 1kk4 h ILE 20 Cb 1.16 1.10 -0.14 0.00 -0.74 0.00 0.00 36.82 38.20 1kk4 h ILE 20 CO 0.78 0.07 -0.36 0.50 0.00 0.00 0.00 178.15 179.14 1kk4 h LYS 21 N -0.32 -0.07 -0.78 2.37 3.64 -1.79 -1.61 116.57 118.01 1kk4 h LYS 21 Ca -0.02 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1kk4 h LYS 21 Cb 0.26 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.03 1kk4 h LYS 21 CO 0.03 -0.05 0.45 -1.35 -2.27 0.00 0.00 179.45 176.27 1kk4 h PRO 22 N -0.07 0.77 -0.25 1.90 0.11 -1.79 -2.50 132.00 130.17 1kk4 h PRO 22 Ca 0.30 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 66.17 1kk4 h PRO 22 Cb 0.58 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1kk4 h PRO 22 CO -0.85 0.51 -0.60 0.82 -0.21 0.00 0.00 178.00 177.67 1kk4 h ILE 23 N 0.79 1.28 -0.47 4.15 2.04 -1.51 -3.29 117.51 120.50 1kk4 h ILE 23 Ca 0.36 -1.80 -0.04 0.00 1.00 0.00 0.00 64.86 64.39 1kk4 h ILE 23 Cb 0.27 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1kk4 h ILE 23 CO -0.21 0.58 0.05 0.18 0.00 0.00 0.00 178.15 178.74 1kk4 n LEU 24 N -3.98 4.78 0.12 1.44 4.77 -0.68 -4.23 117.00 119.22 1kk4 n LEU 24 Ca -0.05 -2.44 0.12 0.00 -0.03 0.00 0.00 56.01 53.61 1kk4 n LEU 24 Cb 0.65 -0.66 0.09 0.00 -2.33 0.00 0.00 43.42 41.17 1kk4 n LEU 24 CO 0.50 0.58 0.29 -0.08 -1.33 0.00 0.00 177.39 177.35 1kk4 h GLU 25 N 2.87 0.00 -0.16 3.23 4.81 -1.52 -3.28 114.58 120.52 1kk4 h GLU 25 Ca 0.05 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 1kk4 h GLU 25 Cb 1.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.10 1kk4 h GLU 25 CO 0.43 0.00 -0.31 1.57 -0.73 0.00 0.00 179.01 179.97 1kk4 h LYS 26 N 0.00 0.50 -6.90 1.92 2.10 -1.82 -3.45 116.57 108.92 1kk4 h LYS 26 Ca 0.00 -0.32 -0.56 0.00 -2.00 0.00 0.00 60.65 57.77 1kk4 h LYS 26 Cb 0.93 0.04 0.17 0.00 -0.90 0.00 0.00 32.23 32.47 1kk4 h LYS 26 CO 0.00 0.92 0.11 1.28 -2.00 0.00 0.00 179.45 179.76 1kk4 n LEU 27 N -4.36 3.63 -4.83 7.07 4.77 -1.24 -5.03 117.00 117.02 1kk4 n LEU 27 Ca -0.06 0.73 -0.31 0.00 -0.03 0.00 0.00 56.01 56.33 1kk4 n LEU 27 Cb 0.48 -1.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.12 1kk4 n LEU 27 CO 0.43 -1.97 -0.22 -0.70 -1.33 0.00 0.00 177.39 173.60 1kk4 s GLU 28 N -3.07 3.11 -1.11 3.23 2.12 -1.26 -4.45 118.70 117.27 1kk4 s GLU 28 Ca 0.75 -0.56 -0.07 0.00 0.36 0.00 0.00 54.97 55.46 1kk4 s GLU 28 Cb -0.38 -2.86 0.01 0.00 0.26 0.00 0.00 34.13 31.16 1kk4 s GLU 28 CO 0.48 0.60 0.87 0.09 -0.54 0.00 0.00 175.26 176.76 1kk4 n ASN 29 N 0.57 -5.47 -3.79 -1.70 3.02 -1.26 -4.97 115.26 101.66 1kk4 n ASN 29 Ca -0.08 -0.40 -0.13 0.00 -0.03 0.00 0.00 54.58 53.94 1kk4 n ASN 29 Cb 0.52 -4.11 -0.12 0.00 -0.61 0.00 0.00 39.78 35.45 1kk4 n ASN 29 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1kk4 s VAL 30 N -3.22 -0.01 -0.10 2.41 1.01 -1.26 -2.19 120.40 117.04 1kk4 s VAL 30 Ca 0.43 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 1kk4 s VAL 30 Cb -0.19 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 35.93 1kk4 s VAL 30 CO 0.53 0.01 0.04 -1.61 0.00 0.00 0.00 175.10 174.08 1kk4 s GLU 31 N 0.33 0.28 -0.06 2.72 2.02 -0.01 -4.97 118.70 119.01 1kk4 s GLU 31 Ca -0.02 0.07 0.06 0.00 0.02 0.00 0.00 54.97 55.10 1kk4 s GLU 31 Cb -0.03 -1.19 -0.01 0.00 0.10 0.00 0.00 34.13 33.00 1kk4 s GLU 31 CO -0.01 -0.44 -0.25 0.08 0.02 0.00 0.00 175.26 174.65 1kk4 s VAL 32 N 2.05 2.05 0.68 2.63 1.01 -1.26 -0.89 120.40 126.67 1kk4 s VAL 32 Ca 0.03 -1.06 -0.15 0.00 0.00 0.00 0.00 61.98 60.80 1kk4 s VAL 32 Cb -0.14 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.51 1kk4 s VAL 32 CO -0.06 0.57 1.14 -0.83 0.00 0.00 0.00 175.10 175.93 1kk4 s GLY 33 N -0.13 2.24 0.01 4.51 0.00 0.10 -4.77 107.32 109.29 1kk4 s GLY 33 Ca -0.05 0.68 -0.02 0.00 0.00 0.00 0.00 44.72 45.32 1kk4 s GLY 33 CO 0.04 1.05 1.04 0.83 0.00 0.00 0.00 173.10 176.06 1kk4 h GLU 34 N -0.04 -0.04 -0.23 2.90 4.39 -1.90 -3.28 114.58 116.38 1kk4 h GLU 34 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1kk4 h GLU 34 Cb 1.26 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1kk4 h GLU 34 CO 0.53 -0.03 0.00 0.66 -1.16 0.00 0.00 179.01 179.01 1kk4 n TYR 35 N -2.73 0.30 -1.87 4.33 4.02 -1.26 -4.68 117.16 115.26 1kk4 n TYR 35 Ca -0.00 -0.15 -0.41 0.00 -0.01 0.00 0.00 57.90 57.32 1kk4 n TYR 35 Cb 0.03 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.33 1kk4 n TYR 35 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1kk4 s SER 36 N -1.23 6.49 0.26 7.72 0.01 -1.24 -4.38 113.70 121.32 1kk4 s SER 36 Ca 0.24 2.82 0.09 0.00 1.31 0.00 0.00 55.95 60.42 1kk4 s SER 36 Cb 0.13 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 1kk4 s SER 36 CO 0.18 -0.83 -0.13 -0.72 0.41 0.00 0.00 173.24 172.15 1kk4 s TYR 37 N 0.07 2.01 -0.10 2.43 -0.85 -0.07 -1.94 117.35 118.89 1kk4 s TYR 37 Ca 0.62 -0.53 0.01 0.00 -0.52 0.00 0.00 57.07 56.66 1kk4 s TYR 37 Cb -0.45 -0.99 0.02 0.00 0.38 0.00 0.00 41.96 40.91 1kk4 s TYR 37 CO 0.45 0.47 -0.12 -0.47 -1.52 0.00 0.00 175.55 174.35 1kk4 s TYR 38 N -2.81 1.69 -0.94 -3.49 5.04 0.10 -1.46 117.35 115.48 1kk4 s TYR 38 Ca 0.27 -0.76 -0.19 0.00 -2.44 0.00 0.00 57.07 53.96 1kk4 s TYR 38 Cb -0.01 -1.26 0.13 0.00 0.35 0.00 0.00 41.96 41.17 1kk4 s TYR 38 CO 0.11 -0.43 1.14 0.34 -1.34 0.00 0.00 175.55 175.38 1kk4 s ASP 39 N 1.07 6.65 -0.01 4.32 2.15 -0.70 -1.71 116.67 128.44 1kk4 s ASP 39 Ca -0.06 -2.08 -0.37 0.00 0.43 0.00 0.00 52.55 50.47 1kk4 s ASP 39 Cb -0.15 -2.40 -0.16 0.00 -0.30 0.00 0.00 42.92 39.92 1kk4 s ASP 39 CO -0.02 -1.05 1.49 -0.24 -0.17 0.00 0.00 175.17 175.18 1kk4 n SER 40 N 6.51 2.05 0.05 -0.34 2.88 -0.96 -3.00 113.62 120.81 1kk4 n SER 40 Ca 0.24 1.10 -0.14 0.00 -1.33 0.00 0.00 58.87 58.74 1kk4 n SER 40 Cb 0.49 -1.21 -0.04 0.00 -0.75 0.00 0.00 64.21 62.70 1kk4 n SER 40 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1kk4 h LYS 41 N 5.57 0.50 0.00 -1.46 3.64 -1.90 -3.38 116.57 119.53 1kk4 h LYS 41 Ca -0.47 -0.48 -0.09 0.00 -1.27 0.00 0.00 60.65 58.34 1kk4 h LYS 41 Cb 1.32 0.12 -0.19 0.00 -0.41 0.00 0.00 32.23 33.08 1kk4 h LYS 41 CO 0.84 1.12 -0.74 0.09 -2.27 0.00 0.00 179.45 178.49 1kk4 n ASN 42 N -3.81 0.63 0.00 4.20 3.02 -1.26 -4.97 115.26 113.08 1kk4 n ASN 42 Ca -0.07 -2.11 0.00 0.00 -0.03 0.00 0.00 54.58 52.37 1kk4 n ASN 42 Cb 0.80 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 1kk4 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kk4 n GLY 43 N 0.15 1.06 3.81 7.41 0.00 -1.26 -5.02 105.19 111.34 1kk4 n GLY 43 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1kk4 n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1kk4 s GLU 44 N -0.25 2.99 0.32 1.61 1.03 -1.26 -5.03 118.70 118.11 1kk4 s GLU 44 Ca 0.00 1.02 -0.05 0.00 0.03 0.00 0.00 54.97 55.97 1kk4 s GLU 44 Cb 0.00 -2.00 -0.05 0.00 -0.80 0.00 0.00 34.13 31.29 1kk4 s GLU 44 CO 0.00 -1.06 0.58 0.95 -1.33 0.00 0.00 175.26 174.40 1kk4 s THR 45 N -2.91 5.01 0.56 1.83 -4.23 -1.26 -4.78 115.64 109.86 1kk4 s THR 45 Ca 0.59 0.05 0.39 0.00 -1.18 0.00 0.00 61.69 61.54 1kk4 s THR 45 Cb -0.15 -3.75 0.41 0.00 1.34 0.00 0.00 72.50 70.35 1kk4 s THR 45 CO 0.51 -0.40 2.27 0.15 -0.54 0.00 0.00 174.62 176.62 1kk4 h PHE 46 N 1.46 0.00 0.00 3.99 3.57 -1.96 -2.31 116.94 121.68 1kk4 h PHE 46 Ca -0.48 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 1kk4 h PHE 46 Cb 1.19 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 1kk4 h PHE 46 CO 0.57 0.01 -0.06 0.38 -2.23 0.00 0.00 178.31 176.99 1kk4 h ASP 47 N 0.00 0.00 1.42 0.41 2.03 -1.94 -1.16 116.42 117.18 1kk4 h ASP 47 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1kk4 h ASP 47 Cb 0.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 1kk4 h ASP 47 CO 0.00 0.06 0.00 0.11 -1.03 0.00 0.00 179.24 178.38 1kk4 h LYS 48 N 0.00 0.00 0.00 4.15 1.79 -1.82 -3.21 116.57 117.49 1kk4 h LYS 48 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1kk4 h LYS 48 Cb 0.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1kk4 h LYS 48 CO 0.01 0.00 -0.15 1.04 -1.08 0.00 0.00 179.45 179.27 1kk4 n GLN 49 N -2.88 0.01 -3.37 3.15 1.13 -0.44 -4.73 117.38 110.25 1kk4 n GLN 49 Ca 0.03 0.01 -0.42 0.00 -1.94 0.00 0.00 57.00 54.67 1kk4 n GLN 49 Cb 0.40 -1.51 -0.09 0.00 0.11 0.00 0.00 30.24 29.15 1kk4 n GLN 49 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1kk4 s ILE 50 N -3.00 5.13 0.13 5.09 1.01 -1.21 -2.03 121.20 126.32 1kk4 s ILE 50 Ca 0.13 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.65 1kk4 s ILE 50 Cb 0.18 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1kk4 s ILE 50 CO 0.58 -0.25 0.22 -0.76 0.00 0.00 0.00 174.94 174.73 1kk4 s LEU 51 N 2.06 4.20 -1.39 2.97 1.43 0.66 -4.67 118.68 123.94 1kk4 s LEU 51 Ca 0.12 0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1kk4 s LEU 51 Cb -0.17 -2.79 -0.00 0.00 0.03 0.00 0.00 46.19 43.26 1kk4 s LEU 51 CO 0.12 0.09 0.47 -1.22 0.23 0.00 0.00 176.35 176.04 1kk4 n TYR 52 N -0.25 -1.69 -3.65 0.29 0.53 -1.26 -1.81 117.16 109.31 1kk4 n TYR 52 Ca -0.07 0.76 -0.39 0.00 -1.02 0.00 0.00 57.90 57.19 1kk4 n TYR 52 Cb 0.53 -3.87 -0.10 0.00 -1.03 0.00 0.00 39.34 34.87 1kk4 n TYR 52 CO 0.00 0.00 0.00 -1.58 -1.02 0.00 0.00 176.86 174.26 1kk4 s HIS 53 N -3.91 3.45 -0.19 -0.72 2.46 -1.26 -0.49 115.29 114.63 1kk4 s HIS 53 Ca 0.00 -1.96 -0.06 0.00 0.47 0.00 0.00 55.06 53.51 1kk4 s HIS 53 Cb -0.00 -3.21 -0.03 0.00 -0.13 0.00 0.00 32.58 29.21 1kk4 s HIS 53 CO 0.87 -0.94 0.03 0.71 -2.47 0.00 0.00 174.74 172.94 1kk4 s TYR 54 N 1.30 3.14 0.37 3.88 4.12 -1.26 -4.99 117.35 123.90 1kk4 s TYR 54 Ca 0.05 -0.16 0.11 0.00 0.02 0.00 0.00 57.07 57.09 1kk4 s TYR 54 Cb -0.24 -2.07 0.88 0.00 -1.52 0.00 0.00 41.96 39.01 1kk4 s TYR 54 CO -0.01 -0.02 1.85 -1.35 0.02 0.00 0.00 175.55 176.04 1kk4 h PRO 55 N 7.03 0.61 -0.88 -1.71 0.11 -1.93 -2.35 132.00 132.88 1kk4 h PRO 55 Ca -0.35 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 65.80 1kk4 h PRO 55 Cb 1.18 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 1kk4 h PRO 55 CO 0.65 0.40 0.57 0.97 -0.21 0.00 0.00 178.00 180.38 1kk4 h ILE 56 N 0.62 1.02 0.00 4.15 2.10 -1.98 -0.92 117.51 122.50 1kk4 h ILE 56 Ca 0.47 -0.32 0.00 0.00 1.08 0.00 0.00 64.86 66.09 1kk4 h ILE 56 Cb 0.86 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.60 1kk4 h ILE 56 CO -0.22 0.17 0.00 0.18 -1.08 0.00 0.00 178.15 177.20 1kk4 n LEU 57 N -4.50 0.61 -1.11 2.19 4.77 -0.88 -4.88 117.00 113.19 1kk4 n LEU 57 Ca 0.14 0.69 -0.15 0.00 -0.03 0.00 0.00 56.01 56.66 1kk4 n LEU 57 Cb 0.25 -0.65 -0.06 0.00 -2.33 0.00 0.00 43.42 40.62 1kk4 n LEU 57 CO 0.32 -0.68 -0.14 -3.20 -1.33 0.00 0.00 177.39 172.37 1kk4 n ASN 58 N -2.22 -5.37 -4.79 -1.43 5.15 -0.35 -4.99 115.26 101.26 1kk4 n ASN 58 Ca 0.01 0.36 -0.39 0.00 -0.60 0.00 0.00 54.58 53.96 1kk4 n ASN 58 Cb 0.16 -4.14 -0.06 0.00 -0.53 0.00 0.00 39.78 35.21 1kk4 n ASN 58 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1kk4 s ASP 59 N -2.62 7.29 0.26 1.20 -4.77 -1.26 -5.00 116.67 111.77 1kk4 s ASP 59 Ca 0.00 1.56 0.10 0.00 -3.30 0.00 0.00 52.55 50.91 1kk4 s ASP 59 Cb 0.00 -2.47 -0.04 0.00 -1.09 0.00 0.00 42.92 39.32 1kk4 s ASP 59 CO 0.00 0.18 -0.04 -0.54 0.70 0.00 0.00 175.17 175.47 1kk4 s LYS 60 N -1.31 2.18 -0.11 2.11 1.02 -1.26 -4.92 119.74 117.44 1kk4 s LYS 60 Ca 0.36 -1.46 0.02 0.00 0.02 0.00 0.00 55.97 54.91 1kk4 s LYS 60 Cb -0.21 -2.10 0.01 0.00 -0.52 0.00 0.00 37.83 35.01 1kk4 s LYS 60 CO 0.24 0.36 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.70 1kk4 s LEU 61 N -3.59 1.83 -0.06 3.17 2.96 -0.93 -1.94 118.68 120.12 1kk4 s LEU 61 Ca 0.31 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1kk4 s LEU 61 Cb -0.06 -1.18 0.01 0.00 0.50 0.00 0.00 46.19 45.46 1kk4 s LEU 61 CO 0.19 0.04 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.61 1kk4 s LYS 62 N 0.91 1.44 -0.08 1.98 1.02 -0.84 -0.83 119.74 123.33 1kk4 s LYS 62 Ca -0.07 -0.33 0.03 0.00 0.02 0.00 0.00 55.97 55.62 1kk4 s LYS 62 Cb -0.15 -1.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.93 1kk4 s LYS 62 CO -0.01 0.01 -0.19 0.42 -0.92 0.00 0.00 175.35 174.65 1kk4 s ILE 63 N 0.70 1.66 0.00 2.17 1.01 -0.07 0.04 121.20 126.71 1kk4 s ILE 63 Ca -0.13 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1kk4 s ILE 63 Cb -0.15 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.86 1kk4 s ILE 63 CO 0.03 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.05 1kk4 n GLY 64 N 3.57 -2.46 3.94 6.18 0.00 -0.03 0.03 105.19 116.43 1kk4 n GLY 64 Ca -0.20 -1.39 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 1kk4 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kk4 s LYS 65 N -1.28 3.45 -1.27 1.61 1.02 -1.26 -2.42 119.74 119.58 1kk4 s LYS 65 Ca 0.00 -0.58 -0.03 0.00 0.02 0.00 0.00 55.97 55.38 1kk4 s LYS 65 Cb 0.00 -2.95 0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1kk4 s LYS 65 CO 0.00 0.50 0.99 1.19 -0.92 0.00 0.00 175.35 177.11 1kk4 n PHE 66 N -0.62 -2.30 -4.16 3.18 3.01 -1.26 -1.14 117.46 114.16 1kk4 n PHE 66 Ca -0.07 0.94 -0.35 0.00 1.01 0.00 0.00 57.45 58.98 1kk4 n PHE 66 Cb 0.54 -4.90 -0.08 0.00 -0.01 0.00 0.00 39.48 35.03 1kk4 n PHE 66 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1kk4 s SER 68 N -1.16 5.05 -0.22 0.00 0.01 -0.76 -0.89 113.70 115.72 1kk4 s SER 68 Ca 0.16 -0.97 -0.07 0.00 1.31 0.00 0.00 55.95 56.39 1kk4 s SER 68 Cb -0.12 -1.82 -0.03 0.00 0.21 0.00 0.00 66.02 64.26 1kk4 s SER 68 CO 0.06 -0.24 0.06 -0.63 0.41 0.00 0.00 173.24 172.90 1kk4 s ILE 69 N 1.41 4.39 0.81 1.44 1.01 -0.53 -0.90 121.20 128.82 1kk4 s ILE 69 Ca -0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.39 1kk4 s ILE 69 Cb -0.18 -3.02 0.08 0.00 0.01 0.00 0.00 42.46 39.35 1kk4 s ILE 69 CO 0.01 0.38 1.10 -0.83 0.00 0.00 0.00 174.94 175.61 1kk4 s GLY 70 N 1.20 1.68 0.42 6.18 0.00 0.12 -1.71 107.32 115.20 1kk4 s GLY 70 Ca 0.04 0.33 -0.24 0.00 0.00 0.00 0.00 44.72 44.85 1kk4 s GLY 70 CO 0.03 0.70 1.16 2.56 0.00 0.00 0.00 173.10 177.55 1kk4 s PRO 71 N -4.84 3.96 0.00 2.90 0.04 -1.16 -2.98 135.00 132.91 1kk4 s PRO 71 Ca 0.63 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1kk4 s PRO 71 Cb -0.19 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.79 1kk4 s PRO 71 CO 0.57 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.63 1kk4 n GLY 72 N 0.53 1.75 3.73 0.56 0.00 -1.26 -0.63 105.19 109.88 1kk4 n GLY 72 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1kk4 n GLY 72 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1kk4 n VAL 73 N -2.00 1.13 -4.89 1.61 0.31 -1.16 -4.23 118.33 109.11 1kk4 n VAL 73 Ca 0.00 -0.28 -0.26 0.00 -0.01 0.00 0.00 64.34 63.78 1kk4 n VAL 73 Cb 0.00 -1.87 -0.16 0.00 -0.91 0.00 0.00 33.84 30.90 1kk4 n VAL 73 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1kk4 s THR 74 N -0.15 1.48 -0.18 2.52 2.01 0.58 -4.85 115.64 117.06 1kk4 s THR 74 Ca 0.63 -0.77 -0.00 0.00 0.31 0.00 0.00 61.69 61.86 1kk4 s THR 74 Cb -0.52 -1.26 0.00 0.00 0.01 0.00 0.00 72.50 70.74 1kk4 s THR 74 CO 0.51 0.42 -0.15 -0.63 -0.69 0.00 0.00 174.62 174.08 1kk4 s ILE 75 N -0.16 2.61 -0.26 1.82 1.01 -0.86 -0.33 121.20 125.04 1kk4 s ILE 75 Ca 0.00 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 1kk4 s ILE 75 Cb -0.10 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 1kk4 s ILE 75 CO 0.01 0.50 0.05 -0.63 0.00 0.00 0.00 174.94 174.88 1kk4 s ILE 76 N 1.11 4.04 0.73 2.92 1.01 -0.21 -0.25 121.20 130.55 1kk4 s ILE 76 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 1kk4 s ILE 76 Cb -0.14 -2.94 0.13 0.00 0.01 0.00 0.00 42.46 39.52 1kk4 s ILE 76 CO -0.05 0.28 1.01 -0.04 0.00 0.00 0.00 174.94 176.14 1kk4 s MET 77 N 1.56 1.61 0.00 2.79 -1.94 -0.75 -2.02 119.30 120.54 1kk4 s MET 77 Ca 0.05 -1.16 0.10 0.00 -1.71 0.00 0.00 55.69 52.97 1kk4 s MET 77 Cb -0.16 -2.32 0.58 0.00 2.01 0.00 0.00 34.83 34.94 1kk4 s MET 77 CO 0.02 -1.50 1.00 0.09 -0.01 0.00 0.00 175.02 174.62 1kk4 n ASN 78 N -2.87 0.00 0.00 3.03 3.02 -1.26 -3.96 115.26 113.23 1kk4 n ASN 78 Ca 0.16 -0.47 0.06 0.00 -0.03 0.00 0.00 54.58 54.30 1kk4 n ASN 78 Cb 0.61 0.00 0.35 0.00 -0.61 0.00 0.00 39.78 40.12 1kk4 n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kk4 n GLY 79 N -0.21 -0.59 0.00 7.41 0.00 0.36 -2.78 105.19 109.38 1kk4 n GLY 79 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kk4 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kk4 n ALA 80 N -0.81 2.07 -2.54 4.61 0.00 -1.25 -4.93 120.51 117.65 1kk4 n ALA 80 Ca 0.09 -0.88 -0.43 0.00 0.00 0.00 0.00 53.44 52.22 1kk4 n ALA 80 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 1kk4 n ALA 80 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1kk4 s ASN 81 N -0.77 7.07 0.63 0.00 0.01 -1.12 -5.01 114.94 115.76 1kk4 s ASN 81 Ca 0.00 1.63 -0.11 0.00 -0.71 0.00 0.00 52.86 53.67 1kk4 s ASN 81 Cb 0.00 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.09 1kk4 s ASN 81 CO 0.00 -0.62 1.03 -1.00 -1.51 0.00 0.00 177.10 174.99 1kk4 s HIS 82 N 2.74 3.53 -0.04 2.20 3.76 -1.26 -4.74 115.29 121.47 1kk4 s HIS 82 Ca 0.51 1.17 -0.30 0.00 -0.15 0.00 0.00 55.06 56.30 1kk4 s HIS 82 Cb -0.20 -2.79 -0.03 0.00 1.11 0.00 0.00 32.58 30.67 1kk4 s HIS 82 CO 0.16 -0.80 1.11 0.50 -0.85 0.00 0.00 174.74 174.86 1kk4 s ARG 83 N -5.19 4.42 -0.11 1.40 3.52 -1.26 -4.54 118.95 117.19 1kk4 s ARG 83 Ca 0.55 1.56 0.15 0.00 -0.13 0.00 0.00 55.73 57.87 1kk4 s ARG 83 Cb -0.11 -3.50 0.34 0.00 -1.56 0.00 0.00 34.95 30.12 1kk4 s ARG 83 CO 0.52 -0.31 1.16 0.00 -0.81 0.00 0.00 175.30 175.87 1kk4 n MET 84 N 4.72 0.88 0.00 5.12 0.00 -1.26 -4.03 117.12 122.54 1kk4 n MET 84 Ca 0.09 -2.50 0.14 0.00 0.00 0.00 0.00 57.70 55.43 1kk4 n MET 84 Cb 0.48 -1.00 0.67 0.00 0.00 0.00 0.00 33.22 33.37 1kk4 n MET 84 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1kk4 n ASP 85 N -0.58 0.31 0.00 3.17 5.75 -1.26 -4.86 116.55 119.08 1kk4 n ASP 85 Ca 0.12 -0.47 0.00 0.00 -0.01 0.00 0.00 54.79 54.43 1kk4 n ASP 85 Cb 0.81 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 1kk4 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kk4 n GLY 86 N 1.27 3.39 3.73 6.12 0.00 -1.26 -5.12 105.19 113.32 1kk4 n GLY 86 Ca 0.15 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1kk4 n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kk4 s SER 87 N 1.57 7.41 0.00 1.61 0.15 -1.26 -4.92 113.70 118.25 1kk4 s SER 87 Ca 0.00 1.69 0.28 0.00 0.70 0.00 0.00 55.95 58.61 1kk4 s SER 87 Cb 0.00 -2.55 1.65 0.00 -1.71 0.00 0.00 66.02 63.41 1kk4 s SER 87 CO 0.00 -0.04 2.04 0.35 1.20 0.00 0.00 173.24 176.79 1kk4 n THR 88 N 2.81 0.00 -2.18 6.45 -2.24 -1.26 -4.74 114.28 113.11 1kk4 n THR 88 Ca 0.01 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 1kk4 n THR 88 Cb 0.49 -0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 1kk4 n THR 88 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1kk4 s TYR 89 N -2.00 3.24 -1.23 4.78 5.04 -1.26 -4.71 117.35 121.22 1kk4 s TYR 89 Ca 0.42 1.04 -0.06 0.00 -2.44 0.00 0.00 57.07 56.03 1kk4 s TYR 89 Cb 0.19 -3.66 0.19 0.00 0.35 0.00 0.00 41.96 39.04 1kk4 s TYR 89 CO 0.32 -2.22 1.98 -0.35 -1.34 0.00 0.00 175.55 173.94 1kk4 n PRO 90 N 3.50 4.34 -0.21 4.97 -0.04 -1.26 -4.86 135.00 141.44 1kk4 n PRO 90 Ca 0.10 -3.82 -0.06 0.00 -0.04 0.00 0.00 63.50 59.67 1kk4 n PRO 90 Cb 0.42 -2.70 -0.01 0.00 -0.04 0.00 0.00 33.50 31.18 1kk4 n PRO 90 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1kk4 h PHE 91 N 5.10 -1.09 -1.56 0.54 -1.00 -1.92 -0.72 116.94 116.30 1kk4 h PHE 91 Ca 0.49 0.08 0.47 0.00 2.81 0.00 0.00 57.97 61.82 1kk4 h PHE 91 Cb 0.47 0.56 -0.09 0.00 3.61 0.00 0.00 35.95 40.50 1kk4 h PHE 91 CO 1.35 -0.40 1.08 -2.95 -1.61 0.00 0.00 178.31 175.77 1kk4 h ASN 92 N -0.19 0.11 -0.09 2.17 7.08 -1.82 0.15 115.58 123.00 1kk4 h ASN 92 Ca 0.21 0.06 0.02 0.00 -3.08 0.00 0.00 56.30 53.51 1kk4 h ASN 92 Cb 0.56 0.05 -0.00 0.00 -2.08 0.00 0.00 38.32 36.85 1kk4 h ASN 92 CO -0.69 -0.07 0.10 0.25 -2.08 0.00 0.00 177.43 174.94 1kk4 h LEU 93 N 0.04 0.00 -1.70 6.14 5.85 -1.42 -2.73 115.31 121.50 1kk4 h LEU 93 Ca 0.82 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.54 1kk4 h LEU 93 Cb 2.98 0.00 0.00 0.00 0.37 0.00 0.00 40.66 44.01 1kk4 h LEU 93 CO -0.18 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.41 1kk4 n PHE 94 N -3.76 0.14 -0.66 1.25 3.01 0.53 -5.04 117.46 112.94 1kk4 n PHE 94 Ca -0.01 -0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1kk4 n PHE 94 Cb 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 1kk4 n PHE 94 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1kk4 n GLY 95 N 1.32 2.74 2.19 1.37 0.00 -1.03 -4.78 105.19 107.01 1kk4 n GLY 95 Ca 0.17 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1kk4 n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kk4 n ASN 96 N 1.79 -3.35 0.00 1.61 3.02 -1.26 -0.02 115.26 117.06 1kk4 n ASN 96 Ca 0.00 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1kk4 n ASN 96 Cb 0.00 -3.00 0.00 0.00 -0.61 0.00 0.00 39.78 36.17 1kk4 n ASN 96 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kk4 n GLY 97 N -0.53 1.59 0.29 7.41 0.00 -1.26 -4.95 105.19 107.73 1kk4 n GLY 97 Ca -0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.02 1kk4 n GLY 97 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1kk4 n TRP 98 N -0.64 0.00 -0.25 1.61 8.01 0.97 -4.18 117.44 122.96 1kk4 n TRP 98 Ca 0.00 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.30 1kk4 n TRP 98 Cb 0.00 -0.10 0.38 0.00 -2.01 0.00 0.00 31.31 29.58 1kk4 n TRP 98 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.69 177.61 1kk4 h GLU 99 N 1.44 0.67 0.00 -0.99 3.07 -1.73 -1.91 114.58 115.13 1kk4 h GLU 99 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1kk4 h GLU 99 Cb 0.53 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1kk4 h GLU 99 CO 0.00 0.44 0.15 0.36 -1.40 0.00 0.00 179.01 178.56 1kk4 n LYS 100 N -4.54 0.07 -0.78 2.33 2.85 -1.26 -1.74 118.16 115.08 1kk4 n LYS 100 Ca 0.16 0.51 -0.07 0.00 -1.05 0.00 0.00 58.31 57.87 1kk4 n LYS 100 Cb 0.44 -1.87 0.21 0.00 -0.65 0.00 0.00 35.03 33.16 1kk4 n LYS 100 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1kk4 n HIS 101 N -1.84 1.89 -1.71 5.58 8.25 -0.72 -4.93 115.22 121.75 1kk4 n HIS 101 Ca -0.01 -1.02 -0.43 0.00 -0.26 0.00 0.00 57.72 56.00 1kk4 n HIS 101 Cb 0.16 -0.59 -0.02 0.00 1.12 0.00 0.00 29.99 30.66 1kk4 n HIS 101 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1kk4 n MET 102 N -0.14 2.37 -3.13 -0.41 1.56 -0.71 -4.66 117.12 112.00 1kk4 n MET 102 Ca 0.32 0.84 -0.39 0.00 -0.27 0.00 0.00 57.70 58.21 1kk4 n MET 102 Cb 1.16 -2.57 -0.06 0.00 2.15 0.00 0.00 33.22 33.90 1kk4 n MET 102 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1kk4 s PRO 103 N -0.40 4.38 0.89 2.12 0.04 -1.26 -5.05 135.00 135.73 1kk4 s PRO 103 Ca 0.67 0.94 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 1kk4 s PRO 103 Cb -0.57 -3.26 0.07 0.00 0.04 0.00 0.00 34.50 30.77 1kk4 s PRO 103 CO 0.48 0.58 0.76 1.63 0.04 0.00 0.00 177.00 180.49 1kk4 n LYS 104 N 1.78 -0.19 0.11 4.56 5.02 -1.26 -4.85 118.16 123.33 1kk4 n LYS 104 Ca -0.08 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.09 1kk4 n LYS 104 Cb 0.50 -2.10 -0.06 0.00 -0.02 0.00 0.00 35.03 33.35 1kk4 n LYS 104 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1kk4 h LEU 105 N -1.41 -0.65 0.00 -0.35 3.38 -1.96 -1.33 115.31 112.98 1kk4 h LEU 105 Ca -0.44 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1kk4 h LEU 105 Cb 1.29 0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1kk4 h LEU 105 CO 0.39 -0.32 0.00 -0.90 0.09 0.00 0.00 178.44 177.70 1kk4 n ASP 106 N -5.35 0.00 0.04 -0.43 5.68 -1.26 -1.33 116.55 113.90 1kk4 n ASP 106 Ca -0.07 -0.31 0.11 0.00 -0.50 0.00 0.00 54.79 54.02 1kk4 n ASP 106 Cb 0.27 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.17 1kk4 n ASP 106 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1kk4 n GLN 107 N -0.96 0.58 -3.13 0.11 6.02 -0.51 -4.87 117.38 114.62 1kk4 n GLN 107 Ca 0.06 -0.04 -0.40 0.00 -0.01 0.00 0.00 57.00 56.62 1kk4 n GLN 107 Cb 0.03 -1.66 -0.06 0.00 1.02 0.00 0.00 30.24 29.58 1kk4 n GLN 107 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1kk4 s LEU 108 N -4.77 4.18 -0.14 1.08 1.43 -0.44 -4.70 118.68 115.32 1kk4 s LEU 108 Ca -0.03 0.87 -0.29 0.00 -1.03 0.00 0.00 54.13 53.65 1kk4 s LEU 108 Cb 0.12 -2.89 -0.06 0.00 0.03 0.00 0.00 46.19 43.39 1kk4 s LEU 108 CO 0.85 -0.23 2.15 -2.65 0.23 0.00 0.00 176.35 176.70 1kk4 n PRO 109 N 4.76 2.23 -4.37 1.29 -0.02 -1.26 -4.96 135.00 132.66 1kk4 n PRO 109 Ca -0.02 0.69 -0.33 0.00 -2.02 0.00 0.00 63.50 61.82 1kk4 n PRO 109 Cb 0.50 -3.17 -0.16 0.00 -0.02 0.00 0.00 33.50 30.65 1kk4 n PRO 109 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1kk4 s ILE 110 N 7.17 2.04 -1.90 4.25 1.01 -1.26 -4.77 121.20 127.74 1kk4 s ILE 110 Ca 0.97 -0.95 0.27 0.00 0.00 0.00 0.00 60.65 60.94 1kk4 s ILE 110 Cb -0.37 -1.83 0.31 0.00 0.01 0.00 0.00 42.46 40.58 1kk4 s ILE 110 CO 0.37 0.54 1.58 0.29 0.00 0.00 0.00 174.94 177.72 1kk4 n LYS 111 N 4.37 1.00 0.00 2.79 5.02 -1.26 -5.07 118.16 125.01 1kk4 n LYS 111 Ca -0.20 -0.60 0.00 0.00 -2.02 0.00 0.00 58.31 55.49 1kk4 n LYS 111 Cb 0.51 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1kk4 n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kk4 n GLY 112 N 1.32 -1.17 3.86 0.72 0.00 -1.26 -4.51 105.19 104.14 1kk4 n GLY 112 Ca 0.13 -2.14 -0.31 0.00 0.00 0.00 0.00 46.02 43.70 1kk4 n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kk4 s ASP 113 N -3.84 6.47 -0.23 1.61 1.01 -1.26 -3.18 116.67 117.25 1kk4 s ASP 113 Ca 0.00 1.47 -0.08 0.00 0.71 0.00 0.00 52.55 54.65 1kk4 s ASP 113 Cb 0.00 -2.48 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 1kk4 s ASP 113 CO 0.00 -0.68 0.08 -0.89 0.21 0.00 0.00 175.17 173.89 1kk4 s THR 114 N -2.81 4.55 -0.16 -1.27 2.01 -0.82 -3.67 115.64 113.47 1kk4 s THR 114 Ca 0.57 -0.10 -0.00 0.00 0.31 0.00 0.00 61.69 62.46 1kk4 s THR 114 Cb -0.10 -3.11 0.04 0.00 0.01 0.00 0.00 72.50 69.34 1kk4 s THR 114 CO 0.40 0.37 -0.06 -0.63 -0.69 0.00 0.00 174.62 174.00 1kk4 s ILE 115 N 1.22 1.17 -0.21 1.82 1.01 -0.12 -1.99 121.20 124.10 1kk4 s ILE 115 Ca 0.05 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 60.00 1kk4 s ILE 115 Cb -0.14 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 1kk4 s ILE 115 CO 0.04 0.16 0.01 -0.63 0.00 0.00 0.00 174.94 174.52 1kk4 s ILE 116 N 1.61 4.02 0.00 2.92 1.01 0.11 0.23 121.20 131.10 1kk4 s ILE 116 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.37 1kk4 s ILE 116 Cb -0.15 -2.83 0.00 0.00 0.01 0.00 0.00 42.46 39.49 1kk4 s ILE 116 CO -0.08 0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.88 1kk4 n GLY 117 N 4.36 -2.73 3.95 6.18 0.00 0.12 -0.85 105.19 116.22 1kk4 n GLY 117 Ca -0.17 -1.31 -0.25 0.00 0.00 0.00 0.00 46.02 44.29 1kk4 n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kk4 s ASN 118 N -1.72 6.34 -1.47 1.61 0.01 -1.26 -1.65 114.94 116.80 1kk4 s ASN 118 Ca 0.00 0.25 -0.13 0.00 -0.71 0.00 0.00 52.86 52.28 1kk4 s ASN 118 Cb 0.00 -1.94 0.09 0.00 0.41 0.00 0.00 41.25 39.81 1kk4 s ASN 118 CO 0.00 -0.06 0.73 -0.67 -1.51 0.00 0.00 177.10 175.58 1kk4 n ASP 119 N -1.02 -4.15 -4.83 -1.22 2.03 -0.30 -1.32 116.55 105.74 1kk4 n ASP 119 Ca -0.07 -0.65 -0.37 0.00 0.52 0.00 0.00 54.79 54.22 1kk4 n ASP 119 Cb 0.55 -3.37 -0.06 0.00 -0.72 0.00 0.00 41.12 37.52 1kk4 n ASP 119 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1kk4 s VAL 120 N -3.14 5.27 -0.18 5.18 1.01 -1.26 -2.69 120.40 124.60 1kk4 s VAL 120 Ca 0.56 0.53 -0.01 0.00 0.00 0.00 0.00 61.98 63.07 1kk4 s VAL 120 Cb -0.29 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1kk4 s VAL 120 CO 0.69 0.56 -0.14 0.86 0.00 0.00 0.00 175.10 177.08 1kk4 s TRP 121 N -0.77 2.83 -0.16 5.22 -0.00 -0.48 -1.83 118.94 123.75 1kk4 s TRP 121 Ca 0.19 -1.18 -0.01 0.00 -0.00 0.00 0.00 56.10 55.10 1kk4 s TRP 121 Cb -0.14 -1.96 -0.01 0.00 -0.00 0.00 0.00 33.47 31.37 1kk4 s TRP 121 CO 0.08 -0.58 -0.12 0.42 -0.00 0.00 0.00 176.95 176.75 1kk4 s ILE 122 N 1.12 2.98 1.11 5.86 1.01 -0.08 -1.01 121.20 132.20 1kk4 s ILE 122 Ca 0.01 -0.66 -0.14 0.00 0.00 0.00 0.00 60.65 59.86 1kk4 s ILE 122 Cb -0.14 -2.28 0.25 0.00 0.01 0.00 0.00 42.46 40.29 1kk4 s ILE 122 CO -0.05 0.50 1.06 -0.83 0.00 0.00 0.00 174.94 175.62 1kk4 s GLY 123 N 0.79 1.54 0.64 6.18 0.00 -0.40 0.10 107.32 116.17 1kk4 s GLY 123 Ca -0.04 -0.38 -0.18 0.00 0.00 0.00 0.00 44.72 44.12 1kk4 s GLY 123 CO 0.01 0.33 1.21 -1.59 0.00 0.00 0.00 173.10 173.06 1kk4 s LYS 124 N -4.82 2.71 -1.67 2.90 -2.85 -1.26 -3.58 119.74 111.17 1kk4 s LYS 124 Ca 0.67 1.81 -0.12 0.00 -1.00 0.00 0.00 55.97 57.33 1kk4 s LYS 124 Cb -0.20 -1.90 0.11 0.00 -2.06 0.00 0.00 37.83 33.79 1kk4 s LYS 124 CO 0.60 -1.41 0.47 -0.25 0.10 0.00 0.00 175.35 174.86 1kk4 n ASP 125 N -1.95 -1.27 -4.80 0.03 8.00 0.20 -0.09 116.55 116.67 1kk4 n ASP 125 Ca 0.14 -1.15 -0.38 0.00 0.71 0.00 0.00 54.79 54.11 1kk4 n ASP 125 Cb 0.50 -2.17 -0.06 0.00 -0.02 0.00 0.00 41.12 39.36 1kk4 n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1kk4 s VAL 126 N -3.67 5.13 -0.20 2.53 1.01 -1.24 -3.71 120.40 120.25 1kk4 s VAL 126 Ca 0.45 0.79 -0.06 0.00 0.00 0.00 0.00 61.98 63.16 1kk4 s VAL 126 Cb -0.26 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1kk4 s VAL 126 CO 0.97 0.50 0.03 -0.69 0.00 0.00 0.00 175.10 175.91 1kk4 s VAL 127 N -0.47 4.27 -0.23 2.92 1.01 0.47 -0.31 120.40 128.05 1kk4 s VAL 127 Ca 0.23 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 1kk4 s VAL 127 Cb -0.16 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1kk4 s VAL 127 CO 0.11 0.43 -0.03 -0.63 0.00 0.00 0.00 175.10 174.97 1kk4 s ILE 128 N 0.86 3.34 0.90 2.22 1.01 0.55 -0.46 121.20 129.62 1kk4 s ILE 128 Ca 0.02 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.93 1kk4 s ILE 128 Cb -0.14 -2.58 0.13 0.00 0.01 0.00 0.00 42.46 39.88 1kk4 s ILE 128 CO 0.02 0.34 1.12 -0.04 0.00 0.00 0.00 174.94 176.38 1kk4 s MET 129 N 1.45 1.24 0.67 2.79 -1.94 -0.38 -1.04 119.30 122.09 1kk4 s MET 129 Ca 0.04 0.43 -0.17 0.00 -1.71 0.00 0.00 55.69 54.28 1kk4 s MET 129 Cb -0.15 -1.84 -0.00 0.00 2.01 0.00 0.00 34.83 34.85 1kk4 s MET 129 CO -0.03 -2.16 1.24 -2.30 -0.01 0.00 0.00 175.02 171.76 1kk4 n PRO 130 N -3.76 0.94 -2.88 2.03 -0.02 -0.86 -3.61 135.00 126.83 1kk4 n PRO 130 Ca 0.06 0.38 -0.18 0.00 -2.02 0.00 0.00 63.50 61.74 1kk4 n PRO 130 Cb 0.58 -2.47 -0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1kk4 n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kk4 n GLY 131 N 0.92 -0.50 3.92 -1.23 0.00 -1.19 -4.91 105.19 102.20 1kk4 n GLY 131 Ca 0.15 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1kk4 n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kk4 s VAL 132 N -2.80 5.28 -0.09 1.61 1.01 -1.24 -4.80 120.40 119.37 1kk4 s VAL 132 Ca 0.20 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1kk4 s VAL 132 Cb -0.10 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1kk4 s VAL 132 CO 0.24 0.02 -0.14 -0.75 0.00 0.00 0.00 175.10 174.47 1kk4 s LYS 133 N -2.80 1.98 -0.18 2.72 2.20 -1.26 -0.95 119.74 121.45 1kk4 s LYS 133 Ca 0.37 -0.49 -0.01 0.00 -0.36 0.00 0.00 55.97 55.49 1kk4 s LYS 133 Cb -0.12 -1.67 -0.00 0.00 -1.51 0.00 0.00 37.83 34.52 1kk4 s LYS 133 CO 0.27 -0.03 -0.13 0.42 -0.36 0.00 0.00 175.35 175.53 1kk4 s ILE 134 N 0.87 2.80 1.07 5.43 1.01 0.14 -0.80 121.20 131.71 1kk4 s ILE 134 Ca -0.10 -0.71 -0.14 0.00 0.00 0.00 0.00 60.65 59.71 1kk4 s ILE 134 Cb -0.15 -2.21 0.23 0.00 0.01 0.00 0.00 42.46 40.33 1kk4 s ILE 134 CO 0.01 0.49 1.08 -0.83 0.00 0.00 0.00 174.94 175.69 1kk4 s GLY 135 N 1.09 1.56 0.71 6.18 0.00 0.13 0.12 107.32 117.10 1kk4 s GLY 135 Ca 0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 44.72 44.14 1kk4 s GLY 135 CO -0.03 0.24 1.13 0.99 0.00 0.00 0.00 173.10 175.43 1kk4 s ASP 136 N -3.37 4.67 0.00 1.64 1.01 -1.26 -3.17 116.67 116.18 1kk4 s ASP 136 Ca 0.67 2.06 0.00 0.00 0.71 0.00 0.00 52.55 55.99 1kk4 s ASP 136 Cb -0.18 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.19 1kk4 s ASP 136 CO 0.58 -1.93 0.00 0.61 0.21 0.00 0.00 175.17 174.65 1kk4 n GLY 137 N -0.39 0.00 3.78 0.21 0.00 -0.43 0.22 105.19 108.57 1kk4 n GLY 137 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1kk4 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kk4 s ALA 138 N -0.98 2.64 -0.10 4.61 0.00 -1.19 -3.96 121.76 122.78 1kk4 s ALA 138 Ca 0.00 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.69 1kk4 s ALA 138 Cb 0.00 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.80 1kk4 s ALA 138 CO 0.00 -0.89 -0.14 0.42 0.00 0.00 0.00 175.76 175.14 1kk4 s ILE 139 N -1.97 1.41 -0.17 0.00 1.01 -0.66 -1.38 121.20 119.44 1kk4 s ILE 139 Ca 0.70 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 60.73 1kk4 s ILE 139 Cb -0.22 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 1kk4 s ILE 139 CO 0.31 0.42 -0.04 -0.69 0.00 0.00 0.00 174.94 174.94 1kk4 s VAL 140 N 0.99 3.76 0.37 2.92 1.01 -0.18 -1.64 120.40 127.62 1kk4 s VAL 140 Ca -0.07 -0.40 -0.25 0.00 0.00 0.00 0.00 61.98 61.26 1kk4 s VAL 140 Cb -0.15 -2.65 -0.09 0.00 0.00 0.00 0.00 36.38 33.49 1kk4 s VAL 140 CO -0.01 0.48 1.07 0.00 0.00 0.00 0.00 175.10 176.63 1kk4 s ALA 141 N 0.56 3.17 0.52 5.51 0.00 -0.28 -1.28 121.76 129.96 1kk4 s ALA 141 Ca -0.03 0.76 -0.19 0.00 0.00 0.00 0.00 51.96 52.50 1kk4 s ALA 141 Cb -0.14 -3.29 -0.12 0.00 0.00 0.00 0.00 23.12 19.57 1kk4 s ALA 141 CO 0.03 -0.21 0.26 0.00 0.00 0.00 0.00 175.76 175.84 1kk4 n ALA 142 N 0.27 -1.98 -3.85 0.00 0.00 -1.26 -2.87 120.51 110.82 1kk4 n ALA 142 Ca 0.03 -0.01 -0.26 0.00 0.00 0.00 0.00 53.44 53.20 1kk4 n ALA 142 Cb 0.48 -1.65 0.02 0.00 0.00 0.00 0.00 19.45 18.31 1kk4 n ALA 142 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1kk4 n ASN 143 N 1.41 -2.89 -4.73 0.00 3.02 0.87 -4.81 115.26 108.14 1kk4 n ASN 143 Ca 0.10 -0.83 -0.25 0.00 -0.03 0.00 0.00 54.58 53.57 1kk4 n ASN 143 Cb 0.46 -3.83 -0.06 0.00 -0.61 0.00 0.00 39.78 35.74 1kk4 n ASN 143 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1kk4 s SER 144 N -3.82 5.09 -0.26 6.41 0.01 -1.14 -4.62 113.70 115.36 1kk4 s SER 144 Ca 0.35 -0.33 0.01 0.00 1.31 0.00 0.00 55.95 57.29 1kk4 s SER 144 Cb -0.17 -1.18 0.07 0.00 0.21 0.00 0.00 66.02 64.94 1kk4 s SER 144 CO 0.83 0.05 -0.03 -0.69 0.41 0.00 0.00 173.24 173.82 1kk4 s VAL 145 N -1.88 1.57 -0.34 3.43 1.01 -0.75 -0.40 120.40 123.04 1kk4 s VAL 145 Ca 0.30 -1.40 -0.24 0.00 0.00 0.00 0.00 61.98 60.65 1kk4 s VAL 145 Cb -0.09 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.39 1kk4 s VAL 145 CO 0.21 -0.22 0.82 -0.69 0.00 0.00 0.00 175.10 175.21 1kk4 s VAL 146 N 1.35 4.73 -0.51 2.92 1.01 0.39 -1.71 120.40 128.58 1kk4 s VAL 146 Ca -0.02 1.08 0.05 0.00 0.00 0.00 0.00 61.98 63.09 1kk4 s VAL 146 Cb -0.19 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1kk4 s VAL 146 CO -0.08 -0.37 0.47 1.33 0.00 0.00 0.00 175.10 176.45 1kk4 n VAL 147 N 5.71 0.00 -3.76 2.92 0.24 -1.26 -1.25 118.33 120.94 1kk4 n VAL 147 Ca 0.04 -0.45 -0.13 0.00 -2.04 0.00 0.00 64.34 61.76 1kk4 n VAL 147 Cb 0.48 1.07 -0.08 0.00 -1.47 0.00 0.00 33.84 33.83 1kk4 n VAL 147 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1kk4 s LYS 148 N -0.93 0.69 0.37 7.34 -2.85 -1.26 -4.95 119.74 118.15 1kk4 s LYS 148 Ca 0.05 -0.23 -0.23 0.00 -1.00 0.00 0.00 55.97 54.55 1kk4 s LYS 148 Cb 0.04 0.31 -0.14 0.00 -2.06 0.00 0.00 37.83 35.98 1kk4 s LYS 148 CO 0.13 -0.20 0.45 -0.25 0.10 0.00 0.00 175.35 175.58 1kk4 n ASP 149 N 1.16 -1.34 -4.06 0.03 8.00 -1.26 -4.81 116.55 114.27 1kk4 n ASP 149 Ca -0.21 0.94 -0.31 0.00 0.71 0.00 0.00 54.79 55.92 1kk4 n ASP 149 Cb 0.56 -1.03 -0.16 0.00 -0.02 0.00 0.00 41.12 40.47 1kk4 n ASP 149 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1kk4 s ILE 150 N -1.42 1.73 0.73 0.53 1.01 0.02 -4.96 121.20 118.84 1kk4 s ILE 150 Ca 0.62 -0.74 -0.16 0.00 0.00 0.00 0.00 60.65 60.37 1kk4 s ILE 150 Cb -0.68 -1.59 0.04 0.00 0.01 0.00 0.00 42.46 40.23 1kk4 s ILE 150 CO 0.59 0.49 1.23 0.00 0.00 0.00 0.00 174.94 177.24 1kk4 n ALA 151 N 4.65 0.47 -1.76 9.38 0.00 -1.26 0.19 120.51 132.18 1kk4 n ALA 151 Ca -0.18 -0.18 -0.41 0.00 0.00 0.00 0.00 53.44 52.67 1kk4 n ALA 151 Cb 0.50 -2.27 -0.00 0.00 0.00 0.00 0.00 19.45 17.68 1kk4 n ALA 151 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1kk4 n PRO 152 N -2.57 2.51 -2.13 0.00 -0.02 -1.26 -2.35 135.00 129.19 1kk4 n PRO 152 Ca 0.15 0.88 -0.17 0.00 -2.02 0.00 0.00 63.50 62.34 1kk4 n PRO 152 Cb 0.49 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 1kk4 n PRO 152 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1kk4 n TYR 153 N 0.35 -0.90 -3.78 6.00 4.02 0.58 -4.86 117.16 118.57 1kk4 n TYR 153 Ca 0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.65 1kk4 n TYR 153 Cb 0.38 -3.23 -0.03 0.00 -0.02 0.00 0.00 39.34 36.44 1kk4 n TYR 153 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 1kk4 s MET 154 N -4.52 3.49 -0.14 -0.72 -1.94 -0.99 -1.54 119.30 112.94 1kk4 s MET 154 Ca 0.00 -0.44 -0.02 0.00 -1.71 0.00 0.00 55.69 53.52 1kk4 s MET 154 Cb 0.00 -2.88 -0.02 0.00 2.01 0.00 0.00 34.83 33.94 1kk4 s MET 154 CO 0.00 0.44 -0.09 -1.17 -0.01 0.00 0.00 175.02 174.19 1kk4 s LEU 155 N -3.32 2.92 0.20 -0.03 2.96 -0.40 -1.65 118.68 119.36 1kk4 s LEU 155 Ca 0.37 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 54.02 1kk4 s LEU 155 Cb -0.11 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 1kk4 s LEU 155 CO 0.29 0.16 0.13 0.00 -1.32 0.00 0.00 176.35 175.61 1kk4 s ALA 156 N 0.38 1.20 0.00 5.97 0.00 -0.66 0.79 121.76 129.44 1kk4 s ALA 156 Ca -0.08 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.17 1kk4 s ALA 156 Cb -0.15 1.38 0.00 0.00 0.00 0.00 0.00 23.12 24.35 1kk4 s ALA 156 CO 0.04 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.63 1kk4 n GLY 157 N -0.28 0.33 0.00 0.00 0.00 -0.39 -1.13 105.19 103.72 1kk4 n GLY 157 Ca 0.02 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1kk4 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kk4 n GLY 158 N -0.36 -3.60 2.68 -0.02 0.00 -1.26 -0.96 105.19 101.67 1kk4 n GLY 158 Ca 0.00 -2.10 -0.21 0.00 0.00 0.00 0.00 46.02 43.70 1kk4 n GLY 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kk4 s ASN 159 N -1.17 2.27 0.68 1.61 2.47 -1.26 -1.81 114.94 117.72 1kk4 s ASN 159 Ca 0.00 -0.86 -0.15 0.00 0.42 0.00 0.00 52.86 52.27 1kk4 s ASN 159 Cb 0.00 0.19 0.01 0.00 -1.45 0.00 0.00 41.25 40.00 1kk4 s ASN 159 CO 0.00 -0.40 1.16 -2.16 -3.72 0.00 0.00 177.10 171.98 1kk4 s PRO 160 N 2.27 2.57 0.31 0.43 0.04 -1.26 -5.03 135.00 134.33 1kk4 s PRO 160 Ca 0.09 1.58 -0.28 0.00 0.04 0.00 0.00 61.00 62.43 1kk4 s PRO 160 Cb -0.15 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1kk4 s PRO 160 CO -0.31 -1.46 1.06 0.00 0.04 0.00 0.00 177.00 176.32 1kk4 s ALA 161 N -2.12 3.29 0.08 8.56 0.00 -0.69 -4.93 121.76 125.96 1kk4 s ALA 161 Ca 0.71 0.78 0.02 0.00 0.00 0.00 0.00 51.96 53.47 1kk4 s ALA 161 Cb -0.25 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1kk4 s ALA 161 CO 0.42 -0.11 -0.06 -0.80 0.00 0.00 0.00 175.76 175.20 1kk4 s ASN 162 N -1.16 1.03 -0.05 0.00 0.01 -0.14 -4.79 114.94 109.85 1kk4 s ASN 162 Ca 0.48 -0.92 -0.30 0.00 -0.71 0.00 0.00 52.86 51.41 1kk4 s ASN 162 Cb -0.28 0.09 -0.02 0.00 0.41 0.00 0.00 41.25 41.45 1kk4 s ASN 162 CO 0.35 -0.43 1.04 -1.61 -1.51 0.00 0.00 177.10 174.94 1kk4 s GLU 163 N -3.43 4.46 -0.16 -0.60 2.02 -1.26 -1.26 118.70 118.47 1kk4 s GLU 163 Ca 0.07 1.47 -0.00 0.00 0.02 0.00 0.00 54.97 56.54 1kk4 s GLU 163 Cb 0.03 -3.50 -0.23 0.00 0.10 0.00 0.00 34.13 30.53 1kk4 s GLU 163 CO -0.04 -0.24 0.19 -0.89 0.02 0.00 0.00 175.26 174.30 1kk4 n ILE 164 N 4.28 1.64 -3.93 -1.63 5.41 0.24 -4.96 119.36 120.41 1kk4 n ILE 164 Ca 0.08 -0.66 0.01 0.00 1.00 0.00 0.00 62.75 63.18 1kk4 n ILE 164 Cb 0.49 -1.47 0.01 0.00 -0.71 0.00 0.00 39.64 37.97 1kk4 n ILE 164 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1kk4 n LYS 165 N -3.31 0.26 -3.51 0.38 2.85 -1.16 -5.01 118.16 108.66 1kk4 n LYS 165 Ca -0.35 -0.81 -0.37 0.00 -1.05 0.00 0.00 58.31 55.74 1kk4 n LYS 165 Cb 1.04 1.23 -0.07 0.00 -0.65 0.00 0.00 35.03 36.58 1kk4 n LYS 165 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1kk4 s GLN 166 N -2.02 4.23 0.18 -1.58 0.74 -1.26 -1.28 119.66 118.66 1kk4 s GLN 166 Ca 0.23 0.10 -0.12 0.00 0.05 0.00 0.00 55.36 55.62 1kk4 s GLN 166 Cb -0.01 -3.46 0.08 0.00 1.10 0.00 0.00 33.01 30.72 1kk4 s GLN 166 CO 0.01 0.15 1.74 0.00 -0.55 0.00 0.00 175.29 176.65 1kk4 h ARG 167 N 6.92 0.90 -4.91 1.67 3.08 -1.62 -3.46 114.38 116.97 1kk4 h ARG 167 Ca -0.40 -0.15 -0.47 0.00 0.07 0.00 0.00 59.98 59.03 1kk4 h ARG 167 Cb 1.16 -0.15 -0.13 0.00 0.08 0.00 0.00 29.97 30.93 1kk4 h ARG 167 CO 0.74 0.76 -0.51 -0.06 -1.07 0.00 0.00 179.97 179.82 1kk4 s PHE 168 N -5.60 1.70 0.73 3.04 2.99 -1.26 -5.14 117.98 114.44 1kk4 s PHE 168 Ca -0.13 -1.51 -0.14 0.00 0.00 0.00 0.00 56.93 55.15 1kk4 s PHE 168 Cb 0.13 -0.84 0.04 0.00 0.00 0.00 0.00 43.02 42.35 1kk4 s PHE 168 CO 0.79 -0.66 1.16 0.16 -0.00 0.00 0.00 175.22 176.68 1kk4 s ASP 169 N -3.42 4.37 0.39 1.36 1.47 -1.26 -4.80 116.67 114.77 1kk4 s ASP 169 Ca 0.35 2.19 0.16 0.00 1.18 0.00 0.00 52.55 56.43 1kk4 s ASP 169 Cb 0.03 -2.57 1.03 0.00 -0.34 0.00 0.00 42.92 41.07 1kk4 s ASP 169 CO 0.22 -2.14 1.80 -0.61 0.68 0.00 0.00 175.17 175.11 1kk4 h GLN 170 N -0.42 0.46 0.70 2.11 -0.00 -1.99 -2.15 115.11 113.81 1kk4 h GLN 170 Ca -0.47 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.12 1kk4 h GLN 170 Cb 1.27 -0.10 0.01 0.00 0.00 0.00 0.00 27.48 28.66 1kk4 h GLN 170 CO 0.50 0.30 -0.33 0.22 0.00 0.00 0.00 178.83 179.52 1kk4 h ASP 171 N 0.47 -0.79 -0.87 -0.69 1.82 -2.00 -1.04 116.42 113.32 1kk4 h ASP 171 Ca 0.56 -0.00 0.15 0.00 -0.39 0.00 0.00 57.03 57.35 1kk4 h ASP 171 Cb 1.29 0.20 -0.10 0.00 0.68 0.00 0.00 39.33 41.41 1kk4 h ASP 171 CO -0.28 -0.45 0.46 0.74 -1.61 0.00 0.00 179.24 178.11 1kk4 h THR 172 N -1.14 0.73 -0.51 2.25 2.02 -1.85 0.40 112.91 114.81 1kk4 h THR 172 Ca -0.10 -0.22 0.02 0.00 0.77 0.00 0.00 66.41 66.88 1kk4 h THR 172 Cb 0.75 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1kk4 h THR 172 CO 0.16 0.12 0.31 0.40 0.37 0.00 0.00 175.52 176.87 1kk4 h ILE 173 N 0.65 1.06 0.49 3.11 2.04 -1.28 -1.65 117.51 121.92 1kk4 h ILE 173 Ca 0.48 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 66.11 1kk4 h ILE 173 Cb 0.68 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1kk4 h ILE 173 CO -0.36 0.11 -0.28 0.78 0.00 0.00 0.00 178.15 178.39 1kk4 h ASN 174 N 0.61 -0.70 -0.40 1.72 2.35 0.40 -1.92 115.58 117.65 1kk4 h ASN 174 Ca 0.20 0.04 0.08 0.00 -0.55 0.00 0.00 56.30 56.08 1kk4 h ASN 174 Cb 0.02 0.20 -0.09 0.00 0.05 0.00 0.00 38.32 38.50 1kk4 h ASN 174 CO -0.09 -0.45 -0.24 1.56 -1.65 0.00 0.00 177.43 176.56 1kk4 h GLN 175 N -0.72 -0.17 -0.37 0.81 4.20 -1.09 0.17 115.11 117.94 1kk4 h GLN 175 Ca -0.06 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.74 1kk4 h GLN 175 Cb 0.58 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.33 1kk4 h GLN 175 CO 0.07 -0.11 -0.09 -0.07 -0.67 0.00 0.00 178.83 177.95 1kk4 h LEU 176 N -0.17 -0.35 -1.35 1.46 3.38 -1.18 1.10 115.31 118.20 1kk4 h LEU 176 Ca 0.19 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.28 1kk4 h LEU 176 Cb 0.47 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1kk4 h LEU 176 CO -0.50 -0.12 0.44 -0.07 0.09 0.00 0.00 178.44 178.28 1kk4 h LEU 177 N -0.00 0.76 -0.09 1.67 3.38 -0.51 0.26 115.31 120.78 1kk4 h LEU 177 Ca 0.18 -0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.88 1kk4 h LEU 177 Cb 0.27 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 40.85 1kk4 h LEU 177 CO -0.38 0.55 -0.92 -0.78 0.09 0.00 0.00 178.44 177.00 1kk4 h ASP 178 N 0.90 0.91 0.05 -0.43 3.58 0.10 -3.31 116.42 118.22 1kk4 h ASP 178 Ca 0.24 -0.66 -0.00 0.00 0.42 0.00 0.00 57.03 57.03 1kk4 h ASP 178 Cb -0.10 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.67 1kk4 h ASP 178 CO -0.05 1.47 -0.02 0.40 -2.88 0.00 0.00 179.24 178.15 1kk4 h ILE 179 N 0.46 1.10 -6.16 2.25 5.03 0.19 -3.47 117.51 116.91 1kk4 h ILE 179 Ca -0.09 -0.50 -0.42 0.00 -0.12 0.00 0.00 64.86 63.72 1kk4 h ILE 179 Cb 1.56 1.44 0.07 0.00 -3.03 0.00 0.00 36.82 36.85 1kk4 h ILE 179 CO 0.18 0.13 -0.90 0.29 -0.68 0.00 0.00 178.15 177.17 1kk4 n LYS 180 N -5.01 -2.39 0.16 2.37 5.02 0.86 -4.78 118.16 114.39 1kk4 n LYS 180 Ca -0.08 0.52 0.09 0.00 -2.02 0.00 0.00 58.31 56.82 1kk4 n LYS 180 Cb 0.15 -4.57 0.47 0.00 -0.02 0.00 0.00 35.03 31.05 1kk4 n LYS 180 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 1kk4 n TRP 181 N -4.14 0.58 1.51 2.13 4.27 -1.26 -1.77 117.44 118.77 1kk4 n TRP 181 Ca -0.17 0.31 0.14 0.00 -3.89 0.00 0.00 57.50 53.89 1kk4 n TRP 181 Cb 0.63 -0.89 0.75 0.00 -1.36 0.00 0.00 31.31 30.44 1kk4 n TRP 181 CO 0.00 0.00 0.00 -2.67 -2.29 0.00 0.00 177.69 172.73 1kk4 n TRP 182 N -2.14 0.00 0.60 -2.67 2.14 -1.26 -2.71 117.44 111.40 1kk4 n TRP 182 Ca -0.01 0.00 0.07 0.00 2.07 0.00 0.00 57.50 59.63 1kk4 n TRP 182 Cb 0.17 -0.14 0.03 0.00 -0.81 0.00 0.00 31.31 30.56 1kk4 n TRP 182 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1kk4 n ASN 183 N -1.14 1.87 -4.76 -0.67 3.02 -0.73 -4.99 115.26 107.86 1kk4 n ASN 183 Ca 0.17 -1.44 -0.41 0.00 -0.03 0.00 0.00 54.58 52.88 1kk4 n ASN 183 Cb 0.15 0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 1kk4 n ASN 183 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1kk4 s TRP 184 N -1.42 3.21 -0.36 3.10 0.51 -1.10 -4.87 118.94 118.01 1kk4 s TRP 184 Ca 0.14 1.44 -0.43 0.00 -2.12 0.00 0.00 56.10 55.14 1kk4 s TRP 184 Cb 0.12 -3.58 -0.17 0.00 -0.81 0.00 0.00 33.47 29.03 1kk4 s TRP 184 CO 0.25 -1.57 1.71 -2.30 -0.51 0.00 0.00 176.95 174.53 1kk4 n PRO 185 N 1.25 0.74 -0.21 4.98 -0.02 -1.26 -4.56 135.00 135.92 1kk4 n PRO 185 Ca 0.01 0.27 -0.05 0.00 -2.02 0.00 0.00 63.50 61.71 1kk4 n PRO 185 Cb 0.43 -1.89 -0.05 0.00 -0.02 0.00 0.00 33.50 31.96 1kk4 n PRO 185 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1kk4 n ILE 186 N 4.47 -0.34 -0.19 4.25 3.06 -1.26 0.11 119.36 129.47 1kk4 n ILE 186 Ca 0.29 1.44 0.18 0.00 -2.50 0.00 0.00 62.75 62.16 1kk4 n ILE 186 Cb 0.06 -1.80 0.34 0.00 0.54 0.00 0.00 39.64 38.77 1kk4 n ILE 186 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1kk4 n ASP 187 N -4.30 0.19 -0.03 9.51 8.00 -1.26 0.20 116.55 128.86 1kk4 n ASP 187 Ca 0.01 0.96 -0.13 0.00 0.71 0.00 0.00 54.79 56.34 1kk4 n ASP 187 Cb 0.13 -0.46 -0.11 0.00 -0.02 0.00 0.00 41.12 40.65 1kk4 n ASP 187 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1kk4 h ILE 188 N 0.00 1.52 -0.99 0.53 2.04 0.50 -3.27 117.51 117.84 1kk4 h ILE 188 Ca 0.49 -1.60 0.12 0.00 1.00 0.00 0.00 64.86 64.87 1kk4 h ILE 188 Cb 1.28 2.60 -0.08 0.00 -0.74 0.00 0.00 36.82 39.88 1kk4 h ILE 188 CO -0.45 0.41 0.62 0.40 0.00 0.00 0.00 178.15 179.14 1kk4 h ILE 189 N -0.70 0.91 -0.20 -0.67 2.04 0.25 -1.66 117.51 117.49 1kk4 h ILE 189 Ca -0.00 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.59 1kk4 h ILE 189 Cb 0.68 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1kk4 h ILE 189 CO 0.00 0.17 0.16 0.78 0.00 0.00 0.00 178.15 179.26 1kk4 h ASN 190 N 0.95 0.00 -0.72 1.72 2.35 -0.93 -1.45 115.58 117.50 1kk4 h ASN 190 Ca 0.49 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.84 1kk4 h ASN 190 Cb 0.52 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 38.66 1kk4 h ASN 190 CO -0.26 0.00 0.29 -0.62 -1.65 0.00 0.00 177.43 175.19 1kk4 n GLU 191 N -4.30 2.22 0.00 0.81 1.02 -0.62 -4.17 120.64 115.60 1kk4 n GLU 191 Ca 0.02 -3.20 0.00 0.00 -0.02 0.00 0.00 57.16 53.96 1kk4 n GLU 191 Cb 0.29 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 1kk4 n GLU 191 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1kk4 n ASN 192 N -1.09 0.00 -0.33 1.62 3.02 -0.68 -4.88 115.26 112.93 1kk4 n ASN 192 Ca 0.49 -0.41 0.31 0.00 -0.03 0.00 0.00 54.58 54.93 1kk4 n ASN 192 Cb 1.25 0.00 0.58 0.00 -0.61 0.00 0.00 39.78 40.99 1kk4 n ASN 192 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1kk4 h ILE 193 N 0.41 0.05 -0.31 2.41 2.04 -1.46 1.36 117.51 122.01 1kk4 h ILE 193 Ca 0.00 -0.02 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 1kk4 h ILE 193 Cb 0.21 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1kk4 h ILE 193 CO 0.00 0.01 -0.24 0.44 0.00 0.00 0.00 178.15 178.36 1kk4 h ASP 194 N 0.05 0.61 1.41 1.72 3.32 -1.89 -0.48 116.42 121.16 1kk4 h ASP 194 Ca 0.83 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.67 1kk4 h ASP 194 Cb 2.18 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 41.56 1kk4 h ASP 194 CO -0.73 0.84 -0.21 0.11 -1.72 0.00 0.00 179.24 177.54 1kk4 h LYS 195 N 0.53 0.00 0.00 3.56 1.57 0.12 -3.17 116.57 119.18 1kk4 h LYS 195 Ca 0.08 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.69 1kk4 h LYS 195 Cb 0.70 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 1kk4 h LYS 195 CO 0.05 0.00 -1.15 0.82 -0.57 0.00 0.00 179.45 178.61 1kk4 h ILE 196 N 0.00 0.76 0.00 1.86 2.04 0.16 -1.89 117.51 120.44 1kk4 h ILE 196 Ca 0.00 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1kk4 h ILE 196 Cb 0.81 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 1kk4 h ILE 196 CO 0.00 0.43 -0.23 0.18 0.00 0.00 0.00 178.15 178.53 1kk4 n LEU 197 N -3.05 0.79 -0.14 1.44 4.77 -0.23 -3.71 117.00 116.87 1kk4 n LEU 197 Ca -0.06 0.45 0.01 0.00 -0.03 0.00 0.00 56.01 56.38 1kk4 n LEU 197 Cb 0.84 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 41.70 1kk4 n LEU 197 CO 0.43 -0.14 0.43 -0.90 -1.33 0.00 0.00 177.39 175.88 1kk4 n ASP 198 N -2.23 1.80 0.00 -1.43 5.68 -1.21 -4.99 116.55 114.17 1kk4 n ASP 198 Ca 0.05 -1.62 0.00 0.00 -0.50 0.00 0.00 54.79 52.72 1kk4 n ASP 198 Cb 0.44 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1kk4 n ASP 198 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1kk4 n ASN 199 N -0.07 -2.34 0.00 -1.12 4.13 -1.15 -4.85 115.26 109.86 1kk4 n ASN 199 Ca 0.02 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.39 1kk4 n ASN 199 Cb 0.20 -1.42 0.55 0.00 -1.54 0.00 0.00 39.78 37.57 1kk4 n ASN 199 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1kk4 n SER 200 N -0.23 0.00 0.30 6.41 3.41 -1.03 -3.34 113.62 119.14 1kk4 n SER 200 Ca 0.00 -0.05 0.17 0.00 -0.26 0.00 0.00 58.87 58.73 1kk4 n SER 200 Cb 0.11 -0.28 0.94 0.00 -0.26 0.00 0.00 64.21 64.73 1kk4 n SER 200 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1kk4 h ILE 201 N 0.00 0.34 0.00 -1.33 2.10 -1.68 -1.84 117.51 115.10 1kk4 h ILE 201 Ca 0.00 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.75 1kk4 h ILE 201 Cb 0.20 1.14 0.00 0.00 -1.09 0.00 0.00 36.82 37.07 1kk4 h ILE 201 CO 0.00 0.03 0.00 -0.38 -1.08 0.00 0.00 178.15 176.72 1kk4 n ILE 202 N -3.50 1.13 0.31 2.19 5.41 -1.21 -1.85 119.36 121.85 1kk4 n ILE 202 Ca -0.02 0.36 0.08 0.00 1.00 0.00 0.00 62.75 64.17 1kk4 n ILE 202 Cb 0.14 -1.25 0.12 0.00 -0.71 0.00 0.00 39.64 37.94 1kk4 n ILE 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1kk4 n ARG 203 N -1.85 1.80 -0.00 0.38 1.74 -0.69 -3.93 116.66 114.12 1kk4 n ARG 203 Ca 0.02 -1.76 0.00 0.00 -0.77 0.00 0.00 57.85 55.34 1kk4 n ARG 203 Cb 0.14 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1kk4 n ARG 203 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1kk4 n GLU 204 N 0.91 0.84 -0.04 5.56 -0.58 -0.77 -4.71 120.64 121.85 1kk4 n GLU 204 Ca 0.12 -0.96 -0.08 0.00 -0.42 0.00 0.00 57.16 55.82 1kk4 n GLU 204 Cb 0.43 -1.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.28 1kk4 n GLU 204 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1kk4 n VAL 205 N -0.23 0.41 0.00 2.62 0.24 -1.11 -5.10 118.33 115.16 1kk4 n VAL 205 Ca 0.00 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1kk4 n VAL 205 Cb 0.12 -1.50 0.00 0.00 -1.47 0.00 0.00 33.84 30.99 1kk4 n VAL 205 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31