#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 -0.85 3.78 -5.12 0.00 -1.26 -5.02 105.19 96.72 1kk4 n GLY 2 Ca 0.00 -2.23 -0.30 0.00 0.00 0.00 0.00 46.02 43.49 1kk4 n GLY 2 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kk4 s PRO 3 N -0.44 -0.26 -0.44 1.61 0.04 -1.26 -5.01 135.00 129.23 1kk4 s PRO 3 Ca 0.00 -0.29 -0.13 0.00 0.04 0.00 0.00 61.00 60.61 1kk4 s PRO 3 Cb 0.00 -1.73 0.06 0.00 0.04 0.00 0.00 34.50 32.88 1kk4 s PRO 3 CO 0.00 -3.04 0.34 1.21 0.04 0.00 0.00 177.00 175.55 1kk4 s ASN 4 N -4.48 5.98 0.00 6.66 3.84 -1.26 -4.97 114.94 120.71 1kk4 s ASN 4 Ca 0.73 -1.30 0.00 0.00 0.21 0.00 0.00 52.86 52.50 1kk4 s ASN 4 Cb -0.06 -2.12 0.00 0.00 -0.55 0.00 0.00 41.25 38.52 1kk4 s ASN 4 CO 0.54 -0.58 0.65 -0.81 -2.79 0.00 0.00 177.10 174.11 1kk4 n PRO 5 N 5.11 0.00 0.00 0.43 -0.04 -1.26 -1.28 135.00 137.96 1kk4 n PRO 5 Ca -0.12 0.19 0.10 0.00 -0.04 0.00 0.00 63.50 63.63 1kk4 n PRO 5 Cb 0.44 -1.53 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.15 1.07 -2.72 0.54 2.81 -1.26 -4.51 117.12 111.91 1kk4 n MET 6 Ca 0.00 -0.77 -0.40 0.00 -1.81 0.00 0.00 57.70 54.71 1kk4 n MET 6 Cb 0.03 -1.45 -0.06 0.00 -0.71 0.00 0.00 33.22 31.03 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 -2.51 4.81 0.09 0.03 1.02 -0.40 -4.80 119.74 117.99 1kk4 s LYS 7 Ca 0.16 1.52 -0.18 0.00 0.02 0.00 0.00 55.97 57.48 1kk4 s LYS 7 Cb 0.17 -3.29 -0.07 0.00 -0.52 0.00 0.00 37.83 34.12 1kk4 s LYS 7 CO 0.61 0.44 1.55 0.52 -0.92 0.00 0.00 175.35 177.55 1kk4 h MET 8 N 4.36 0.44 -4.75 1.68 2.86 -1.89 -3.38 114.93 114.25 1kk4 h MET 8 Ca -0.45 -0.13 -0.67 0.00 -2.06 0.00 0.00 59.70 56.40 1kk4 h MET 8 Cb 1.20 -0.05 -0.39 0.00 0.06 0.00 0.00 31.60 32.43 1kk4 h MET 8 CO 0.69 0.58 -0.74 0.71 1.06 0.00 0.00 176.91 179.20 1kk4 s TYR 9 N -5.11 3.56 0.11 -0.22 1.51 -1.26 -0.99 117.35 114.96 1kk4 s TYR 9 Ca -0.14 -2.71 -0.12 0.00 -1.01 0.00 0.00 57.07 53.09 1kk4 s TYR 9 Cb 0.08 -2.54 -0.12 0.00 -0.11 0.00 0.00 41.96 39.27 1kk4 s TYR 9 CO 0.74 -0.92 1.36 -1.00 -1.11 0.00 0.00 175.55 174.63 1kk4 h PRO 10 N 7.69 0.83 -6.21 -1.71 0.13 -1.75 -3.42 132.00 127.56 1kk4 h PRO 10 Ca -0.10 -0.58 -0.56 0.00 -0.87 0.00 0.00 66.00 63.88 1kk4 h PRO 10 Cb 1.03 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 1kk4 h PRO 10 CO 0.50 1.20 0.70 0.42 -0.23 0.00 0.00 178.00 180.60 1kk4 s ILE 11 N -4.00 4.56 0.62 -3.56 1.01 -1.26 -4.91 121.20 113.66 1kk4 s ILE 11 Ca -0.11 1.86 -0.17 0.00 0.00 0.00 0.00 60.65 62.23 1kk4 s ILE 11 Cb 0.09 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 1kk4 s ILE 11 CO 0.89 -0.06 1.15 -1.61 0.00 0.00 0.00 174.94 175.31 1kk4 s GLU 12 N 2.56 2.89 -1.29 2.79 2.02 -1.26 -2.80 118.70 123.60 1kk4 s GLU 12 Ca 0.50 1.61 -0.03 0.00 0.02 0.00 0.00 54.97 57.07 1kk4 s GLU 12 Cb -0.19 -1.94 0.02 0.00 0.10 0.00 0.00 34.13 32.11 1kk4 s GLU 12 CO 0.15 -1.22 0.21 0.41 0.02 0.00 0.00 175.26 174.84 1kk4 n GLY 13 N 0.04 -0.50 2.77 -1.39 0.00 -1.26 -4.94 105.19 99.92 1kk4 n GLY 13 Ca 0.12 0.04 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.30 1.27 -0.35 1.61 3.84 -1.12 -5.02 114.94 112.85 1kk4 s ASN 14 Ca 0.14 -0.13 0.07 0.00 0.21 0.00 0.00 52.86 53.15 1kk4 s ASN 14 Cb -0.07 0.39 0.52 0.00 -0.55 0.00 0.00 41.25 41.54 1kk4 s ASN 14 CO 0.18 -0.31 1.55 0.29 -2.79 0.00 0.00 177.10 176.01 1kk4 n LYS 15 N 5.32 2.18 -0.06 0.43 5.02 -1.26 -4.50 118.16 125.30 1kk4 n LYS 15 Ca -0.05 -3.30 -0.10 0.00 -2.02 0.00 0.00 58.31 52.84 1kk4 n LYS 15 Cb 0.50 -1.97 -0.05 0.00 -0.02 0.00 0.00 35.03 33.48 1kk4 n LYS 15 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1kk4 n SER 16 N -1.06 2.52 -4.65 4.39 2.88 -1.26 -4.84 113.62 111.60 1kk4 n SER 16 Ca 0.41 -0.01 -0.39 0.00 -1.33 0.00 0.00 58.87 57.55 1kk4 n SER 16 Cb 1.08 -0.23 -0.07 0.00 -0.75 0.00 0.00 64.21 64.23 1kk4 n SER 16 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1kk4 s VAL 17 N -2.24 5.12 0.07 2.46 1.01 -1.26 -0.60 120.40 124.96 1kk4 s VAL 17 Ca -0.16 0.88 0.04 0.00 0.00 0.00 0.00 61.98 62.73 1kk4 s VAL 17 Cb 0.05 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1kk4 s VAL 17 CO 0.26 0.18 -0.12 0.00 0.00 0.00 0.00 175.10 175.42 1kk4 s GLN 18 N 1.70 0.75 -0.16 2.72 -2.07 -0.96 -4.27 119.66 117.37 1kk4 s GLN 18 Ca 0.22 -0.95 -0.22 0.00 -1.82 0.00 0.00 55.36 52.60 1kk4 s GLN 18 Cb -0.15 -0.62 -0.03 0.00 -1.09 0.00 0.00 33.01 31.12 1kk4 s GLN 18 CO 0.09 0.13 0.65 -0.06 -1.32 0.00 0.00 175.29 174.78 1kk4 s PHE 19 N -1.55 3.43 0.05 9.60 2.99 -0.16 -1.88 117.98 130.45 1kk4 s PHE 19 Ca -0.02 1.02 -0.24 0.00 0.00 0.00 0.00 56.93 57.68 1kk4 s PHE 19 Cb -0.08 -2.81 -0.17 0.00 0.00 0.00 0.00 43.02 39.96 1kk4 s PHE 19 CO 0.01 -0.11 1.55 0.82 -0.00 0.00 0.00 175.22 177.49 1kk4 h ILE 20 N 5.07 1.10 -0.98 0.64 2.04 -1.70 -3.31 117.51 120.37 1kk4 h ILE 20 Ca -0.34 -0.43 0.16 0.00 1.00 0.00 0.00 64.86 65.26 1kk4 h ILE 20 Cb 1.15 1.38 -0.17 0.00 -0.74 0.00 0.00 36.82 38.45 1kk4 h ILE 20 CO 0.78 0.11 -0.35 0.50 0.00 0.00 0.00 178.15 179.18 1kk4 h LYS 21 N -0.23 -0.01 -0.45 2.37 3.64 -1.78 0.14 116.57 120.26 1kk4 h LYS 21 Ca -0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1kk4 h LYS 21 Cb 0.21 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1kk4 h LYS 21 CO 0.01 -0.00 0.24 -1.35 -2.27 0.00 0.00 179.45 176.07 1kk4 h PRO 22 N -0.01 0.46 -0.82 1.90 0.11 -1.79 -2.11 132.00 129.74 1kk4 h PRO 22 Ca 0.38 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.45 1kk4 h PRO 22 Cb 0.63 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.59 1kk4 h PRO 22 CO -0.99 0.30 0.49 0.82 -0.21 0.00 0.00 178.00 178.42 1kk4 h ILE 23 N 0.47 1.23 -0.22 4.15 2.04 -0.86 -3.18 117.51 121.14 1kk4 h ILE 23 Ca 0.19 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1kk4 h ILE 23 Cb 0.07 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.22 1kk4 h ILE 23 CO -0.12 0.24 0.00 0.18 0.00 0.00 0.00 178.15 178.46 1kk4 n LEU 24 N -4.37 2.98 0.00 1.44 4.77 -0.54 -4.45 117.00 116.83 1kk4 n LEU 24 Ca 0.09 -1.17 0.08 0.00 -0.03 0.00 0.00 56.01 54.98 1kk4 n LEU 24 Cb 0.07 -0.13 0.42 0.00 -2.33 0.00 0.00 43.42 41.45 1kk4 n LEU 24 CO 0.38 0.59 0.75 -0.62 -1.33 0.00 0.00 177.39 177.16 1kk4 n GLU 25 N 1.23 0.21 0.01 3.23 1.02 -0.81 -1.52 120.64 124.02 1kk4 n GLU 25 Ca 0.17 0.13 0.11 0.00 -0.02 0.00 0.00 57.16 57.56 1kk4 n GLU 25 Cb 0.56 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.53 1kk4 n GLU 25 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1kk4 n LYS 26 N -1.31 0.16 -2.81 3.49 4.76 -1.26 -4.96 118.16 116.22 1kk4 n LYS 26 Ca 0.08 -0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.19 1kk4 n LYS 26 Cb 0.14 -1.55 -0.05 0.00 -1.84 0.00 0.00 35.03 31.73 1kk4 n LYS 26 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1kk4 s LEU 27 N -3.50 3.88 -0.16 -0.35 1.43 -0.57 -5.06 118.68 114.35 1kk4 s LEU 27 Ca 0.06 1.48 -0.08 0.00 -1.03 0.00 0.00 54.13 54.56 1kk4 s LEU 27 Cb 0.16 -4.34 -0.04 0.00 0.03 0.00 0.00 46.19 41.99 1kk4 s LEU 27 CO 0.79 -0.38 0.11 -0.70 0.23 0.00 0.00 176.35 176.40 1kk4 s GLU 28 N -3.43 3.82 -0.53 1.70 2.12 -1.26 -4.31 118.70 116.81 1kk4 s GLU 28 Ca 0.58 -0.24 -0.00 0.00 0.36 0.00 0.00 54.97 55.66 1kk4 s GLU 28 Cb -0.10 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.04 1kk4 s GLU 28 CO 0.21 0.47 0.06 0.09 -0.54 0.00 0.00 175.26 175.55 1kk4 n ASN 29 N 2.95 -2.68 -3.73 -1.70 3.02 -1.26 -4.91 115.26 106.95 1kk4 n ASN 29 Ca -0.18 -0.03 -0.19 0.00 -0.03 0.00 0.00 54.58 54.15 1kk4 n ASN 29 Cb 0.53 -1.89 -0.17 0.00 -0.61 0.00 0.00 39.78 37.64 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 -2.46 0.02 -0.08 2.41 1.01 -1.26 -1.19 120.40 118.86 1kk4 s VAL 30 Ca 0.03 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.35 1kk4 s VAL 30 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 1kk4 s VAL 30 CO 0.04 0.17 -0.24 -1.61 0.00 0.00 0.00 175.10 173.46 1kk4 s GLU 31 N 1.76 2.80 0.06 2.72 2.02 -0.22 -4.93 118.70 122.91 1kk4 s GLU 31 Ca 0.00 -0.89 0.07 0.00 0.02 0.00 0.00 54.97 54.17 1kk4 s GLU 31 Cb -0.12 -2.24 -0.03 0.00 0.10 0.00 0.00 34.13 31.84 1kk4 s GLU 31 CO -0.03 0.29 -0.18 0.08 0.02 0.00 0.00 175.26 175.43 1kk4 s VAL 32 N 0.07 1.46 0.43 2.63 1.01 -1.25 -0.41 120.40 124.34 1kk4 s VAL 32 Ca -0.11 -1.21 -0.21 0.00 0.00 0.00 0.00 61.98 60.45 1kk4 s VAL 32 Cb -0.16 -1.31 -0.10 0.00 0.00 0.00 0.00 36.38 34.81 1kk4 s VAL 32 CO 0.06 0.06 0.97 -0.83 0.00 0.00 0.00 175.10 175.36 1kk4 s GLY 33 N -1.35 2.46 0.00 4.51 0.00 0.33 -4.87 107.32 108.40 1kk4 s GLY 33 Ca 0.05 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.23 1kk4 s GLY 33 CO 0.02 0.77 0.99 1.18 0.00 0.00 0.00 173.10 176.06 1kk4 n GLU 34 N -0.58 0.00 -1.08 2.90 -0.58 -1.26 -3.07 120.64 116.97 1kk4 n GLU 34 Ca 0.07 0.93 -0.22 0.00 -0.42 0.00 0.00 57.16 57.52 1kk4 n GLU 34 Cb 0.53 -1.49 0.15 0.00 -0.57 0.00 0.00 31.44 30.06 1kk4 n GLU 34 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1kk4 n TYR 35 N -2.83 2.68 -3.00 -0.32 4.02 -1.26 -4.70 117.16 111.75 1kk4 n TYR 35 Ca 0.00 -1.76 -0.40 0.00 -0.01 0.00 0.00 57.90 55.72 1kk4 n TYR 35 Cb 0.00 -0.90 -0.05 0.00 -0.02 0.00 0.00 39.34 38.38 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 -1.02 6.93 0.33 7.72 0.01 -1.17 -4.05 113.70 122.45 1kk4 s SER 36 Ca 0.50 1.13 0.10 0.00 1.31 0.00 0.00 55.95 58.99 1kk4 s SER 36 Cb 0.42 -2.42 -0.06 0.00 0.21 0.00 0.00 66.02 64.17 1kk4 s SER 36 CO 0.09 -0.23 -0.11 -0.72 0.41 0.00 0.00 173.24 172.67 1kk4 s TYR 37 N 1.42 2.37 -0.07 2.43 -0.85 -0.42 -1.89 117.35 120.33 1kk4 s TYR 37 Ca 0.37 -0.49 0.02 0.00 -0.52 0.00 0.00 57.07 56.45 1kk4 s TYR 37 Cb -0.17 -1.32 0.01 0.00 0.38 0.00 0.00 41.96 40.87 1kk4 s TYR 37 CO 0.15 0.59 -0.12 -0.47 -1.52 0.00 0.00 175.55 174.18 1kk4 s TYR 38 N -2.62 1.49 -0.78 -3.49 5.04 -0.79 -1.58 117.35 114.63 1kk4 s TYR 38 Ca 0.32 -0.59 -0.18 0.00 -2.44 0.00 0.00 57.07 54.19 1kk4 s TYR 38 Cb 0.02 -1.11 0.14 0.00 0.35 0.00 0.00 41.96 41.36 1kk4 s TYR 38 CO 0.16 -0.32 0.88 0.34 -1.34 0.00 0.00 175.55 175.26 1kk4 s ASP 39 N 0.84 6.50 0.23 4.32 2.15 -0.71 -2.27 116.67 127.72 1kk4 s ASP 39 Ca -0.11 -1.97 -0.28 0.00 0.43 0.00 0.00 52.55 50.61 1kk4 s ASP 39 Cb -0.15 -2.31 -0.16 0.00 -0.30 0.00 0.00 42.92 39.99 1kk4 s ASP 39 CO 0.02 -0.96 0.62 -0.24 -0.17 0.00 0.00 175.17 174.43 1kk4 n SER 40 N 5.81 -0.74 -0.09 -0.34 2.88 0.23 -2.70 113.62 118.68 1kk4 n SER 40 Ca 0.09 1.13 -0.16 0.00 -1.33 0.00 0.00 58.87 58.60 1kk4 n SER 40 Cb 0.46 -1.02 -0.11 0.00 -0.75 0.00 0.00 64.21 62.79 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 1.19 0.00 0.00 -1.46 3.64 -1.89 -3.41 116.57 114.64 1kk4 h LYS 41 Ca -0.31 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1kk4 h LYS 41 Cb 1.42 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.17 1kk4 h LYS 41 CO 0.57 0.86 -0.43 0.09 -2.27 0.00 0.00 179.45 178.28 1kk4 n ASN 42 N -4.54 1.34 0.00 4.20 3.02 -1.26 -4.93 115.26 113.09 1kk4 n ASN 42 Ca -0.20 -2.79 0.00 0.00 -0.03 0.00 0.00 54.58 51.57 1kk4 n ASN 42 Cb 0.53 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 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 -0.64 0.73 3.77 7.41 0.00 -1.26 -5.05 105.19 110.15 1kk4 n GLY 43 Ca 0.11 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.55 4.63 0.41 1.61 1.03 -1.26 -5.04 118.70 119.53 1kk4 s GLU 44 Ca 0.00 1.26 -0.23 0.00 0.03 0.00 0.00 54.97 56.03 1kk4 s GLU 44 Cb 0.00 -3.16 -0.10 0.00 -0.80 0.00 0.00 34.13 30.07 1kk4 s GLU 44 CO 0.00 0.49 1.00 0.95 -1.33 0.00 0.00 175.26 176.37 1kk4 s THR 45 N -1.27 4.02 0.66 1.83 -4.23 -1.26 -4.66 115.64 110.73 1kk4 s THR 45 Ca 0.40 1.43 0.38 0.00 -1.18 0.00 0.00 61.69 62.72 1kk4 s THR 45 Cb -0.23 -3.68 0.39 0.00 1.34 0.00 0.00 72.50 70.33 1kk4 s THR 45 CO 0.27 -0.11 2.20 0.15 -0.54 0.00 0.00 174.62 176.60 1kk4 h PHE 46 N 2.28 0.00 0.00 3.99 3.57 -1.96 -1.31 116.94 123.51 1kk4 h PHE 46 Ca -0.48 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 60.99 1kk4 h PHE 46 Cb 1.20 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 1kk4 h PHE 46 CO 0.60 0.00 -0.10 0.38 -2.23 0.00 0.00 178.31 176.96 1kk4 h ASP 47 N 0.00 0.00 0.39 0.41 2.03 -1.92 -0.39 116.42 116.94 1kk4 h ASP 47 Ca 0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 1kk4 h ASP 47 Cb 0.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.76 1kk4 h ASP 47 CO -0.00 0.10 0.00 0.29 -1.03 0.00 0.00 179.24 178.60 1kk4 n LYS 48 N -3.64 0.60 -0.14 4.15 4.76 -0.49 -3.06 118.16 120.33 1kk4 n LYS 48 Ca -0.02 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.54 1kk4 n LYS 48 Cb 0.22 -1.50 0.22 0.00 -1.84 0.00 0.00 35.03 32.13 1kk4 n LYS 48 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1kk4 n GLN 49 N -1.20 2.38 -3.63 1.97 1.13 -0.16 -4.79 117.38 113.08 1kk4 n GLN 49 Ca 0.17 -2.07 -0.39 0.00 -1.94 0.00 0.00 57.00 52.77 1kk4 n GLN 49 Cb 0.20 -1.49 -0.10 0.00 0.11 0.00 0.00 30.24 28.96 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 -1.62 4.00 0.12 5.09 1.01 -1.17 -1.33 121.20 127.29 1kk4 s ILE 50 Ca 0.36 -1.63 -0.06 0.00 0.00 0.00 0.00 60.65 59.33 1kk4 s ILE 50 Cb 0.22 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.09 1kk4 s ILE 50 CO 0.31 -0.60 0.37 -0.76 0.00 0.00 0.00 174.94 174.26 1kk4 s LEU 51 N 1.35 4.29 -1.16 2.97 1.43 -0.04 -4.62 118.68 122.91 1kk4 s LEU 51 Ca 0.04 0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 53.56 1kk4 s LEU 51 Cb -0.24 -3.19 -0.01 0.00 0.03 0.00 0.00 46.19 42.78 1kk4 s LEU 51 CO -0.00 0.09 0.77 -1.22 0.23 0.00 0.00 176.35 176.22 1kk4 n TYR 52 N 0.32 -1.89 -3.91 0.29 4.02 -1.26 -0.97 117.16 113.75 1kk4 n TYR 52 Ca -0.04 0.48 -0.35 0.00 -0.01 0.00 0.00 57.90 57.98 1kk4 n TYR 52 Cb 0.52 -3.48 -0.14 0.00 -0.02 0.00 0.00 39.34 36.22 1kk4 n TYR 52 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1kk4 s HIS 53 N -3.50 3.37 -0.16 -0.72 2.46 -1.26 -0.94 115.29 114.55 1kk4 s HIS 53 Ca 0.44 -2.12 -0.00 0.00 0.47 0.00 0.00 55.06 53.85 1kk4 s HIS 53 Cb -0.16 -2.38 -0.00 0.00 -0.13 0.00 0.00 32.58 29.91 1kk4 s HIS 53 CO 0.86 -0.86 -0.14 0.71 -2.47 0.00 0.00 174.74 172.85 1kk4 s TYR 54 N 1.19 2.80 0.33 3.88 1.51 -1.26 -5.01 117.35 120.79 1kk4 s TYR 54 Ca -0.02 -0.98 0.05 0.00 -1.01 0.00 0.00 57.07 55.12 1kk4 s TYR 54 Cb -0.20 -1.90 0.69 0.00 -0.11 0.00 0.00 41.96 40.44 1kk4 s TYR 54 CO -0.03 -0.45 1.87 -1.35 -1.11 0.00 0.00 175.55 174.49 1kk4 h PRO 55 N 7.30 0.81 -0.71 -1.71 0.11 -1.93 -2.12 132.00 133.75 1kk4 h PRO 55 Ca -0.33 -0.05 0.14 0.00 0.11 0.00 0.00 66.00 65.87 1kk4 h PRO 55 Cb 1.19 -0.18 -0.13 0.00 0.11 0.00 0.00 31.00 31.98 1kk4 h PRO 55 CO 0.57 0.54 -0.23 0.97 -0.21 0.00 0.00 178.00 179.64 1kk4 h ILE 56 N 0.84 0.23 -0.14 4.15 2.10 -1.99 1.12 117.51 123.81 1kk4 h ILE 56 Ca 0.44 0.00 0.04 0.00 1.08 0.00 0.00 64.86 66.42 1kk4 h ILE 56 Cb 0.54 0.23 -0.01 0.00 -1.09 0.00 0.00 36.82 36.49 1kk4 h ILE 56 CO -0.20 0.00 0.11 -0.07 -1.08 0.00 0.00 178.15 176.91 1kk4 h LEU 57 N -0.04 0.00 1.48 2.19 3.38 -1.82 -3.46 115.31 117.04 1kk4 h LEU 57 Ca 0.32 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.97 1kk4 h LEU 57 Cb 0.55 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.22 1kk4 h LEU 57 CO -0.75 0.00 -0.35 -3.20 0.09 0.00 0.00 178.44 174.23 1kk4 n ASN 58 N -4.35 -4.85 -4.77 -0.43 5.15 0.39 -4.98 115.26 101.41 1kk4 n ASN 58 Ca 0.00 0.20 -0.39 0.00 -0.60 0.00 0.00 54.58 53.79 1kk4 n ASN 58 Cb 0.23 -3.85 -0.06 0.00 -0.53 0.00 0.00 39.78 35.57 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 -2.57 7.43 -0.01 1.20 -4.77 -1.26 -5.02 116.67 111.66 1kk4 s ASP 59 Ca 0.00 1.73 0.04 0.00 -3.30 0.00 0.00 52.55 51.02 1kk4 s ASP 59 Cb 0.00 -2.53 -0.03 0.00 -1.09 0.00 0.00 42.92 39.27 1kk4 s ASP 59 CO 0.00 0.16 -0.11 -0.54 0.70 0.00 0.00 175.17 175.38 1kk4 s LYS 60 N -1.30 2.48 -0.21 2.11 1.02 -1.26 -4.90 119.74 117.68 1kk4 s LYS 60 Ca 0.39 -0.74 -0.04 0.00 0.02 0.00 0.00 55.97 55.60 1kk4 s LYS 60 Cb -0.23 -2.43 -0.02 0.00 -0.52 0.00 0.00 37.83 34.63 1kk4 s LYS 60 CO 0.27 0.61 -0.02 -1.17 -0.92 0.00 0.00 175.35 174.11 1kk4 s LEU 61 N -1.17 3.06 -0.09 3.17 2.96 -0.33 -2.21 118.68 124.07 1kk4 s LEU 61 Ca 0.15 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 1kk4 s LEU 61 Cb -0.11 -1.78 -0.00 0.00 0.50 0.00 0.00 46.19 44.80 1kk4 s LEU 61 CO 0.05 0.03 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.32 1kk4 s LYS 62 N 1.22 2.98 -0.09 1.98 1.02 -0.08 -1.06 119.74 125.70 1kk4 s LYS 62 Ca 0.03 -0.88 0.01 0.00 0.02 0.00 0.00 55.97 55.15 1kk4 s LYS 62 Cb -0.14 -2.29 0.02 0.00 -0.52 0.00 0.00 37.83 34.89 1kk4 s LYS 62 CO -0.00 0.22 -0.10 0.42 -0.92 0.00 0.00 175.35 174.96 1kk4 s ILE 63 N 0.25 1.12 0.00 2.17 1.01 0.46 0.65 121.20 126.86 1kk4 s ILE 63 Ca -0.16 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1kk4 s ILE 63 Cb -0.17 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.22 1kk4 s ILE 63 CO 0.08 0.37 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1kk4 n GLY 64 N 4.37 -1.72 3.92 6.18 0.00 -0.60 0.12 105.19 117.47 1kk4 n GLY 64 Ca -0.18 -1.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.19 2.65 -1.28 1.61 1.02 -1.26 -2.45 119.74 117.84 1kk4 s LYS 65 Ca 0.00 -0.08 -0.22 0.00 0.02 0.00 0.00 55.97 55.70 1kk4 s LYS 65 Cb 0.00 -2.22 0.02 0.00 -0.52 0.00 0.00 37.83 35.11 1kk4 s LYS 65 CO 0.00 -0.91 0.55 1.19 -0.92 0.00 0.00 175.35 175.26 1kk4 n PHE 66 N -2.73 -1.50 -4.52 3.18 3.01 -1.26 -1.38 117.46 112.26 1kk4 n PHE 66 Ca 0.06 0.32 -0.34 0.00 1.01 0.00 0.00 57.45 58.50 1kk4 n PHE 66 Cb 0.59 -3.04 -0.12 0.00 -0.01 0.00 0.00 39.48 36.90 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 -0.25 5.68 -0.23 0.00 0.01 -0.30 -1.30 113.70 117.31 1kk4 s SER 68 Ca 0.04 -1.37 -0.06 0.00 1.31 0.00 0.00 55.95 55.87 1kk4 s SER 68 Cb -0.13 -2.00 -0.02 0.00 0.21 0.00 0.00 66.02 64.08 1kk4 s SER 68 CO 0.02 -0.50 0.03 -0.63 0.41 0.00 0.00 173.24 172.57 1kk4 s ILE 69 N 1.47 4.05 0.74 1.44 1.01 -0.61 -0.61 121.20 128.69 1kk4 s ILE 69 Ca 0.03 -0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.30 1kk4 s ILE 69 Cb -0.22 -2.87 0.04 0.00 0.01 0.00 0.00 42.46 39.42 1kk4 s ILE 69 CO 0.03 0.38 1.08 -0.83 0.00 0.00 0.00 174.94 175.60 1kk4 s GLY 70 N 1.42 1.65 0.79 6.18 0.00 0.10 -1.73 107.32 115.73 1kk4 s GLY 70 Ca 0.05 -0.01 -0.13 0.00 0.00 0.00 0.00 44.72 44.63 1kk4 s GLY 70 CO 0.02 0.35 1.17 2.56 0.00 0.00 0.00 173.10 177.20 1kk4 s PRO 71 N -5.07 1.83 0.00 2.90 0.04 -1.10 -3.26 135.00 130.35 1kk4 s PRO 71 Ca 0.59 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1kk4 s PRO 71 Cb -0.15 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1kk4 s PRO 71 CO 0.55 -2.04 0.00 0.41 0.04 0.00 0.00 177.00 175.96 1kk4 n GLY 72 N 0.13 1.69 3.71 0.56 0.00 -1.26 0.09 105.19 110.11 1kk4 n GLY 72 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 1.52 -4.23 1.61 0.31 -1.20 -4.16 118.33 110.17 1kk4 n VAL 73 Ca 0.00 -0.38 -0.28 0.00 -0.01 0.00 0.00 64.34 63.67 1kk4 n VAL 73 Cb 0.00 -1.65 -0.17 0.00 -0.91 0.00 0.00 33.84 31.11 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 -0.60 1.42 -0.33 2.52 2.01 0.15 -4.83 115.64 115.99 1kk4 s THR 74 Ca 0.60 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 61.93 1kk4 s THR 74 Cb -0.57 -1.33 -0.00 0.00 0.01 0.00 0.00 72.50 70.60 1kk4 s THR 74 CO 0.56 0.43 0.18 -0.63 -0.69 0.00 0.00 174.62 174.47 1kk4 s ILE 75 N 1.25 4.76 -0.39 1.82 1.01 -0.44 -0.68 121.20 128.52 1kk4 s ILE 75 Ca -0.01 -0.44 -0.16 0.00 0.00 0.00 0.00 60.65 60.03 1kk4 s ILE 75 Cb -0.14 -3.46 0.01 0.00 0.01 0.00 0.00 42.46 38.87 1kk4 s ILE 75 CO -0.05 0.00 0.39 -0.63 0.00 0.00 0.00 174.94 174.65 1kk4 s ILE 76 N 1.63 5.15 0.16 2.92 -1.09 -0.54 -0.86 121.20 128.57 1kk4 s ILE 76 Ca 0.05 -0.23 -0.02 0.00 -2.23 0.00 0.00 60.65 58.22 1kk4 s ILE 76 Cb -0.17 -3.93 0.03 0.00 -1.58 0.00 0.00 42.46 36.81 1kk4 s ILE 76 CO 0.07 -0.27 0.22 0.23 -1.23 0.00 0.00 174.94 173.96 1kk4 n MET 77 N 5.45 0.06 0.00 2.79 2.81 -0.15 -2.31 117.12 125.77 1kk4 n MET 77 Ca -0.09 -0.42 0.12 0.00 -1.81 0.00 0.00 57.70 55.50 1kk4 n MET 77 Cb 0.48 -0.20 0.62 0.00 -0.71 0.00 0.00 33.22 33.42 1kk4 n MET 77 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1kk4 n ASN 78 N -3.08 0.00 -0.29 7.83 3.02 -1.25 -4.12 115.26 117.37 1kk4 n ASN 78 Ca 0.03 -0.03 0.17 0.00 -0.03 0.00 0.00 54.58 54.72 1kk4 n ASN 78 Cb 0.11 -0.30 0.44 0.00 -0.61 0.00 0.00 39.78 39.42 1kk4 n ASN 78 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1kk4 h GLY 79 N 4.14 1.23 -1.07 7.41 0.00 -1.34 -2.89 103.07 110.55 1kk4 h GLY 79 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1kk4 h GLY 79 CO 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.51 1kk4 n ALA 80 N -2.45 2.48 -1.77 3.60 0.00 -1.26 -4.92 120.51 116.20 1kk4 n ALA 80 Ca 0.21 -0.58 -0.39 0.00 0.00 0.00 0.00 53.44 52.68 1kk4 n ALA 80 Cb 0.66 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.32 6.54 0.09 0.00 0.01 -1.10 -5.02 114.94 114.14 1kk4 s ASN 81 Ca 0.29 2.46 0.02 0.00 -0.71 0.00 0.00 52.86 54.92 1kk4 s ASN 81 Cb 0.15 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 1kk4 s ASN 81 CO 0.22 -0.67 0.19 -1.00 -1.51 0.00 0.00 177.10 174.33 1kk4 s HIS 82 N -1.32 3.41 0.17 2.20 3.76 -1.26 -4.92 115.29 117.33 1kk4 s HIS 82 Ca 0.55 0.17 -0.31 0.00 -0.15 0.00 0.00 55.06 55.32 1kk4 s HIS 82 Cb -0.34 -1.69 -0.10 0.00 1.11 0.00 0.00 32.58 31.56 1kk4 s HIS 82 CO 0.43 0.56 1.54 0.50 -0.85 0.00 0.00 174.74 176.92 1kk4 s ARG 83 N -2.67 4.23 0.00 1.40 3.52 -1.26 -4.68 118.95 119.49 1kk4 s ARG 83 Ca 0.33 2.33 0.00 0.00 -0.13 0.00 0.00 55.73 58.27 1kk4 s ARG 83 Cb -0.12 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 1kk4 s ARG 83 CO 0.26 -0.58 0.53 0.00 -0.81 0.00 0.00 175.30 174.71 1kk4 n MET 84 N 3.84 -0.46 0.13 5.12 -0.00 -1.26 -4.13 117.12 120.36 1kk4 n MET 84 Ca 0.13 -0.59 0.11 0.00 -0.00 0.00 0.00 57.70 57.35 1kk4 n MET 84 Cb 0.39 -0.97 0.49 0.00 -0.00 0.00 0.00 33.22 33.13 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 -0.06 0.57 0.00 3.17 5.68 -1.26 -4.75 116.55 119.90 1kk4 n ASP 85 Ca 0.00 0.68 0.00 0.00 -0.50 0.00 0.00 54.79 54.97 1kk4 n ASP 85 Cb 0.05 -0.79 0.00 0.00 -1.14 0.00 0.00 41.12 39.24 1kk4 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kk4 n GLY 86 N -0.47 5.07 3.76 6.12 0.00 -1.26 -5.11 105.19 113.29 1kk4 n GLY 86 Ca 0.01 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 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 1.00 7.23 0.00 1.61 0.15 -1.26 -4.94 113.70 117.49 1kk4 s SER 87 Ca 0.00 2.19 0.16 0.00 0.70 0.00 0.00 55.95 59.01 1kk4 s SER 87 Cb 0.00 -2.62 0.54 0.00 -1.71 0.00 0.00 66.02 62.23 1kk4 s SER 87 CO 0.00 -0.16 1.41 0.35 1.20 0.00 0.00 173.24 176.04 1kk4 n THR 88 N 1.02 0.35 -2.57 6.45 -2.24 -1.26 -4.73 114.28 111.31 1kk4 n THR 88 Ca -0.00 -0.42 -0.43 0.00 -2.27 0.00 0.00 64.05 60.93 1kk4 n THR 88 Cb 0.46 0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.98 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 -1.65 3.30 -1.23 4.78 5.04 -1.26 -4.74 117.35 121.59 1kk4 s TYR 89 Ca 0.29 1.37 -0.18 0.00 -2.44 0.00 0.00 57.07 56.11 1kk4 s TYR 89 Cb 0.15 -3.32 0.09 0.00 0.35 0.00 0.00 41.96 39.23 1kk4 s TYR 89 CO 0.22 -0.83 1.62 -1.25 -1.34 0.00 0.00 175.55 173.96 1kk4 s PRO 90 N 2.35 3.93 0.09 4.97 0.04 -1.26 -4.79 135.00 140.33 1kk4 s PRO 90 Ca 0.52 -1.96 -0.20 0.00 0.04 0.00 0.00 61.00 59.39 1kk4 s PRO 90 Cb -0.21 -5.40 -0.09 0.00 0.04 0.00 0.00 34.50 28.84 1kk4 s PRO 90 CO 0.18 -2.14 1.60 0.74 0.04 0.00 0.00 177.00 177.41 1kk4 h PHE 91 N 7.88 0.33 -0.05 0.56 -1.00 -1.91 -2.81 116.94 119.94 1kk4 h PHE 91 Ca 0.38 -0.03 0.02 0.00 2.81 0.00 0.00 57.97 61.14 1kk4 h PHE 91 Cb 0.90 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 40.36 1kk4 h PHE 91 CO 1.34 0.41 0.48 -2.95 -1.61 0.00 0.00 178.31 175.98 1kk4 h ASN 92 N 0.16 0.00 1.35 2.17 7.08 -1.78 -0.98 115.58 123.58 1kk4 h ASN 92 Ca 0.07 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.29 1kk4 h ASN 92 Cb 0.24 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.48 1kk4 h ASN 92 CO -0.00 0.00 0.00 0.25 -2.08 0.00 0.00 177.43 175.60 1kk4 h LEU 93 N 0.00 0.00 -3.19 6.14 5.85 -1.78 -3.32 115.31 119.00 1kk4 h LEU 93 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1kk4 h LEU 93 Cb 0.98 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1kk4 h LEU 93 CO -0.00 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.59 1kk4 n PHE 94 N -3.09 1.30 -1.24 1.25 3.01 -0.37 -5.07 117.46 113.25 1kk4 n PHE 94 Ca 0.02 -0.67 0.00 0.00 1.01 0.00 0.00 57.45 57.81 1kk4 n PHE 94 Cb 0.38 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 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 0.61 1.73 2.78 1.37 0.00 -1.25 -4.81 105.19 105.62 1kk4 n GLY 95 Ca 0.23 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.08 -3.40 0.00 1.61 3.02 -1.26 -0.49 115.26 113.66 1kk4 n ASN 96 Ca 0.00 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1kk4 n ASN 96 Cb 0.00 -2.88 0.00 0.00 -0.61 0.00 0.00 39.78 36.29 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 -0.89 1.50 0.02 7.41 0.00 -1.26 -4.93 105.19 107.04 1kk4 n GLY 97 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.12 0.14 -0.25 1.61 7.02 0.36 -4.12 117.44 121.08 1kk4 n TRP 98 Ca 0.00 0.04 0.17 0.00 -1.02 0.00 0.00 57.50 56.69 1kk4 n TRP 98 Cb 0.00 -0.35 0.48 0.00 -2.42 0.00 0.00 31.31 29.01 1kk4 n TRP 98 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1kk4 h GLU 99 N 0.00 0.46 -0.61 -0.99 3.07 -1.73 -1.46 114.58 113.33 1kk4 h GLU 99 Ca 0.00 -0.03 0.14 0.00 -0.50 0.00 0.00 59.36 58.98 1kk4 h GLU 99 Cb 0.57 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 1kk4 h GLU 99 CO 0.00 0.31 0.42 1.57 -1.40 0.00 0.00 179.01 179.91 1kk4 h LYS 100 N 0.48 0.18 -1.01 2.33 2.10 -1.91 -2.39 116.57 116.35 1kk4 h LYS 100 Ca 0.47 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 1kk4 h LYS 100 Cb 1.07 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 1kk4 h LYS 100 CO -0.20 0.12 0.00 0.72 -2.00 0.00 0.00 179.45 178.09 1kk4 n HIS 101 N -4.42 0.00 -1.84 0.07 8.25 -0.55 -4.89 115.22 111.84 1kk4 n HIS 101 Ca 0.11 -0.47 -0.41 0.00 -0.26 0.00 0.00 57.72 56.69 1kk4 n HIS 101 Cb 0.55 -0.24 -0.01 0.00 1.12 0.00 0.00 29.99 31.41 1kk4 n HIS 101 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1kk4 s MET 102 N -0.03 4.14 0.72 -0.41 0.00 -0.90 -4.47 119.30 118.35 1kk4 s MET 102 Ca 0.00 2.53 -0.12 0.00 0.00 0.00 0.00 55.69 58.10 1kk4 s MET 102 Cb 0.00 -3.00 0.03 0.00 0.00 0.00 0.00 34.83 31.86 1kk4 s MET 102 CO 0.00 -0.52 1.08 -1.25 0.00 0.00 0.00 175.02 174.33 1kk4 s PRO 103 N -1.54 2.60 0.09 4.11 0.04 -1.26 -5.03 135.00 134.01 1kk4 s PRO 103 Ca 0.56 1.15 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 1kk4 s PRO 103 Cb -0.46 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.08 1kk4 s PRO 103 CO 0.57 -1.38 0.42 0.15 0.04 0.00 0.00 177.00 176.81 1kk4 s LYS 104 N -4.74 3.80 0.22 4.56 1.02 -1.26 -4.98 119.74 118.35 1kk4 s LYS 104 Ca 0.61 0.23 -0.13 0.00 0.02 0.00 0.00 55.97 56.71 1kk4 s LYS 104 Cb -0.17 -2.99 0.28 0.00 -0.52 0.00 0.00 37.83 34.43 1kk4 s LYS 104 CO 0.52 0.55 1.61 1.25 -0.92 0.00 0.00 175.35 178.36 1kk4 h LEU 105 N 3.72 -0.69 -0.49 3.17 6.46 -1.97 0.60 115.31 126.12 1kk4 h LEU 105 Ca -0.49 0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 1kk4 h LEU 105 Cb 1.19 0.45 0.00 0.00 -0.73 0.00 0.00 40.66 41.57 1kk4 h LEU 105 CO 0.66 -0.24 0.00 -0.90 -0.62 0.00 0.00 178.44 177.34 1kk4 n ASP 106 N -5.47 0.43 -0.00 1.25 5.68 -1.26 -2.79 116.55 114.38 1kk4 n ASP 106 Ca 0.09 -1.76 0.06 0.00 -0.50 0.00 0.00 54.79 52.68 1kk4 n ASP 106 Cb 0.37 -0.22 -0.08 0.00 -1.14 0.00 0.00 41.12 40.05 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 -0.23 2.23 -3.18 0.11 6.02 0.21 -4.95 117.38 117.59 1kk4 n GLN 107 Ca 0.00 -0.04 -0.39 0.00 -0.01 0.00 0.00 57.00 56.57 1kk4 n GLN 107 Cb 0.11 -1.13 -0.06 0.00 1.02 0.00 0.00 30.24 30.18 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 -2.97 4.51 -0.10 1.08 1.43 -1.12 -4.75 118.68 116.77 1kk4 s LEU 108 Ca 0.02 1.33 -0.29 0.00 -1.03 0.00 0.00 54.13 54.16 1kk4 s LEU 108 Cb 0.09 -3.01 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 1kk4 s LEU 108 CO 0.49 0.20 0.97 -2.16 0.23 0.00 0.00 176.35 176.08 1kk4 s PRO 109 N -0.83 4.42 -0.18 1.29 0.04 -1.26 -5.02 135.00 133.46 1kk4 s PRO 109 Ca 0.31 1.32 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 1kk4 s PRO 109 Cb -0.20 -3.53 -0.00 0.00 0.04 0.00 0.00 34.50 30.81 1kk4 s PRO 109 CO 0.20 -0.27 -0.11 0.42 0.04 0.00 0.00 177.00 177.29 1kk4 s ILE 110 N 1.85 2.93 -2.22 0.56 1.01 -1.26 -4.88 121.20 119.18 1kk4 s ILE 110 Ca 0.47 -0.66 0.21 0.00 0.00 0.00 0.00 60.65 60.67 1kk4 s ILE 110 Cb -0.18 -2.28 0.48 0.00 0.01 0.00 0.00 42.46 40.49 1kk4 s ILE 110 CO 0.18 0.48 1.60 0.29 0.00 0.00 0.00 174.94 177.49 1kk4 n LYS 111 N 4.38 1.56 0.00 2.79 5.02 -1.26 -5.05 118.16 125.61 1kk4 n LYS 111 Ca -0.19 -0.85 0.00 0.00 -2.02 0.00 0.00 58.31 55.26 1kk4 n LYS 111 Cb 0.51 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 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 1.06 -2.67 3.86 0.72 0.00 -1.26 -4.06 105.19 102.84 1kk4 n GLY 112 Ca 0.16 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.51 6.48 -0.27 1.61 1.01 -1.26 -3.47 116.67 118.26 1kk4 s ASP 113 Ca 0.00 1.35 -0.10 0.00 0.71 0.00 0.00 52.55 54.50 1kk4 s ASP 113 Cb 0.00 -2.42 -0.05 0.00 1.01 0.00 0.00 42.92 41.46 1kk4 s ASP 113 CO 0.00 -0.58 0.17 -0.89 0.21 0.00 0.00 175.17 174.08 1kk4 s THR 114 N -2.66 5.18 -0.14 -1.27 2.01 -0.94 -3.89 115.64 113.93 1kk4 s THR 114 Ca 0.55 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.69 1kk4 s THR 114 Cb -0.10 -3.46 0.02 0.00 0.01 0.00 0.00 72.50 68.96 1kk4 s THR 114 CO 0.37 0.27 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.76 1kk4 s ILE 115 N 1.70 1.78 -0.15 1.82 1.01 -0.58 -0.90 121.20 125.86 1kk4 s ILE 115 Ca 0.07 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 1kk4 s ILE 115 Cb -0.16 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 1kk4 s ILE 115 CO 0.10 0.49 -0.12 -0.63 0.00 0.00 0.00 174.94 174.78 1kk4 s ILE 116 N 1.14 3.03 0.00 2.92 1.01 0.21 -1.23 121.20 128.28 1kk4 s ILE 116 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1kk4 s ILE 116 Cb -0.14 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.03 1kk4 s ILE 116 CO -0.06 0.50 0.00 0.61 0.00 0.00 0.00 174.94 175.99 1kk4 n GLY 117 N 3.90 -1.85 3.92 6.18 0.00 0.22 -1.55 105.19 116.02 1kk4 n GLY 117 Ca -0.18 -1.48 -0.28 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.36 6.39 -1.68 1.61 0.01 -1.26 -3.16 114.94 115.49 1kk4 s ASN 118 Ca 0.00 0.39 0.00 0.00 -0.71 0.00 0.00 52.86 52.54 1kk4 s ASN 118 Cb 0.00 -2.01 0.00 0.00 0.41 0.00 0.00 41.25 39.65 1kk4 s ASN 118 CO 0.00 -0.01 0.00 -0.67 -1.51 0.00 0.00 177.10 174.91 1kk4 n ASP 119 N -0.50 -5.61 -4.83 -1.22 2.03 -0.48 -1.37 116.55 104.57 1kk4 n ASP 119 Ca -0.05 -0.01 -0.36 0.00 0.52 0.00 0.00 54.79 54.89 1kk4 n ASP 119 Cb 0.53 -4.65 -0.06 0.00 -0.72 0.00 0.00 41.12 36.23 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 -2.97 4.74 -0.20 5.18 1.01 -1.25 -3.76 120.40 123.15 1kk4 s VAL 120 Ca 0.00 1.07 -0.00 0.00 0.00 0.00 0.00 61.98 63.05 1kk4 s VAL 120 Cb 0.00 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1kk4 s VAL 120 CO 0.00 0.32 -0.15 0.86 0.00 0.00 0.00 175.10 176.13 1kk4 s TRP 121 N -1.38 2.87 -0.24 5.22 -0.00 -0.65 -1.15 118.94 123.61 1kk4 s TRP 121 Ca 0.37 -1.52 -0.03 0.00 -0.00 0.00 0.00 56.10 54.91 1kk4 s TRP 121 Cb -0.17 -1.97 0.01 0.00 -0.00 0.00 0.00 33.47 31.34 1kk4 s TRP 121 CO 0.20 -0.75 -0.04 0.42 -0.00 0.00 0.00 176.95 176.78 1kk4 s ILE 122 N 1.32 3.19 1.25 5.86 1.01 0.22 -1.30 121.20 132.76 1kk4 s ILE 122 Ca 0.04 -0.76 -0.17 0.00 0.00 0.00 0.00 60.65 59.76 1kk4 s ILE 122 Cb -0.14 -2.54 0.29 0.00 0.01 0.00 0.00 42.46 40.08 1kk4 s ILE 122 CO -0.10 0.29 0.78 0.61 0.00 0.00 0.00 174.94 176.53 1kk4 n GLY 123 N 4.75 -2.67 3.82 6.18 0.00 -0.24 0.03 105.19 117.05 1kk4 n GLY 123 Ca -0.17 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 1kk4 n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kk4 s LYS 124 N -4.35 3.54 -1.48 1.61 -2.85 -1.26 -3.87 119.74 111.07 1kk4 s LYS 124 Ca 0.65 1.08 -0.07 0.00 -1.00 0.00 0.00 55.97 56.63 1kk4 s LYS 124 Cb -0.19 -2.07 0.02 0.00 -2.06 0.00 0.00 37.83 33.53 1kk4 s LYS 124 CO 0.62 -0.62 0.65 -0.25 0.10 0.00 0.00 175.35 175.85 1kk4 n ASP 125 N -1.96 -5.56 -4.83 0.03 8.00 0.11 -0.52 116.55 111.83 1kk4 n ASP 125 Ca 0.08 -0.35 -0.38 0.00 0.71 0.00 0.00 54.79 54.84 1kk4 n ASP 125 Cb 0.53 -4.50 -0.06 0.00 -0.02 0.00 0.00 41.12 37.08 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 -3.14 5.06 -0.21 2.53 1.01 -1.25 -3.80 120.40 120.60 1kk4 s VAL 126 Ca 0.37 0.82 -0.04 0.00 0.00 0.00 0.00 61.98 63.13 1kk4 s VAL 126 Cb -0.17 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1kk4 s VAL 126 CO 0.45 0.56 -0.02 -0.69 0.00 0.00 0.00 175.10 175.39 1kk4 s VAL 127 N -0.90 3.60 -0.31 2.92 1.01 0.49 0.34 120.40 127.55 1kk4 s VAL 127 Ca 0.23 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 1kk4 s VAL 127 Cb -0.16 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.61 1kk4 s VAL 127 CO 0.13 0.42 0.08 -0.63 0.00 0.00 0.00 175.10 175.10 1kk4 s ILE 128 N 1.30 3.81 0.73 2.22 1.01 0.14 -0.83 121.20 129.58 1kk4 s ILE 128 Ca 0.04 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.65 1kk4 s ILE 128 Cb -0.14 -3.05 0.03 0.00 0.01 0.00 0.00 42.46 39.30 1kk4 s ILE 128 CO -0.01 -0.04 1.08 -0.04 0.00 0.00 0.00 174.94 175.93 1kk4 s MET 129 N 1.44 2.65 0.74 2.79 -1.94 -0.67 -1.46 119.30 122.85 1kk4 s MET 129 Ca 0.00 0.76 -0.16 0.00 -1.71 0.00 0.00 55.69 54.59 1kk4 s MET 129 Cb -0.18 -1.97 -0.00 0.00 2.01 0.00 0.00 34.83 34.68 1kk4 s MET 129 CO 0.02 -1.25 0.79 -2.30 -0.01 0.00 0.00 175.02 172.27 1kk4 n PRO 130 N -3.20 0.35 -2.56 2.03 -0.02 -0.98 -3.60 135.00 127.03 1kk4 n PRO 130 Ca 0.07 0.17 -0.17 0.00 -2.02 0.00 0.00 63.50 61.55 1kk4 n PRO 130 Cb 0.55 -2.07 -0.00 0.00 -0.02 0.00 0.00 33.50 31.96 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 1.27 -0.50 3.90 -1.23 0.00 -1.23 -4.91 105.19 102.49 1kk4 n GLY 131 Ca 0.12 0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.83 5.44 -0.10 1.61 1.01 -1.24 -4.85 120.40 119.44 1kk4 s VAL 132 Ca 0.06 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1kk4 s VAL 132 Cb -0.03 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.84 1kk4 s VAL 132 CO 0.08 0.38 -0.17 -0.75 0.00 0.00 0.00 175.10 174.64 1kk4 s LYS 133 N -1.76 2.35 -0.23 2.72 2.20 -1.26 -1.53 119.74 122.23 1kk4 s LYS 133 Ca 0.25 -0.62 0.02 0.00 -0.36 0.00 0.00 55.97 55.26 1kk4 s LYS 133 Cb -0.13 -1.91 0.04 0.00 -1.51 0.00 0.00 37.83 34.32 1kk4 s LYS 133 CO 0.16 0.02 -0.15 0.42 -0.36 0.00 0.00 175.35 175.44 1kk4 s ILE 134 N 0.75 2.10 0.93 5.43 1.01 -0.36 0.11 121.20 131.17 1kk4 s ILE 134 Ca -0.11 -1.33 -0.11 0.00 0.00 0.00 0.00 60.65 59.09 1kk4 s ILE 134 Cb -0.16 -2.09 0.15 0.00 0.01 0.00 0.00 42.46 40.38 1kk4 s ILE 134 CO 0.02 0.21 1.09 -0.83 0.00 0.00 0.00 174.94 175.43 1kk4 s GLY 135 N 1.19 1.63 0.68 6.18 0.00 0.86 -0.61 107.32 117.25 1kk4 s GLY 135 Ca -0.03 0.14 -0.16 0.00 0.00 0.00 0.00 44.72 44.66 1kk4 s GLY 135 CO -0.08 0.63 1.20 0.99 0.00 0.00 0.00 173.10 175.84 1kk4 s ASP 136 N -3.06 4.60 0.00 1.64 1.01 -1.26 -2.94 116.67 116.66 1kk4 s ASP 136 Ca 0.65 2.35 0.00 0.00 0.71 0.00 0.00 52.55 56.26 1kk4 s ASP 136 Cb -0.20 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.14 1kk4 s ASP 136 CO 0.58 -1.99 0.00 0.61 0.21 0.00 0.00 175.17 174.58 1kk4 n GLY 137 N 0.37 0.50 3.79 0.21 0.00 -0.47 0.56 105.19 110.16 1kk4 n GLY 137 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.41 2.51 -0.08 4.61 0.00 -1.15 -3.84 121.76 121.39 1kk4 s ALA 138 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 1kk4 s ALA 138 Cb 0.00 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.90 1kk4 s ALA 138 CO 0.00 -1.35 -0.01 0.42 0.00 0.00 0.00 175.76 174.82 1kk4 s ILE 139 N -2.77 0.51 -0.30 0.00 1.01 -0.83 -1.64 121.20 117.19 1kk4 s ILE 139 Ca 0.62 0.03 -0.06 0.00 0.00 0.00 0.00 60.65 61.24 1kk4 s ILE 139 Cb -0.17 -0.64 0.02 0.00 0.01 0.00 0.00 42.46 41.68 1kk4 s ILE 139 CO 0.50 0.27 0.07 -0.69 0.00 0.00 0.00 174.94 175.08 1kk4 s VAL 140 N 1.92 3.78 0.51 2.92 1.01 -0.42 -1.13 120.40 128.99 1kk4 s VAL 140 Ca 0.05 -0.83 -0.22 0.00 0.00 0.00 0.00 61.98 60.98 1kk4 s VAL 140 Cb -0.12 -2.99 -0.07 0.00 0.00 0.00 0.00 36.38 33.20 1kk4 s VAL 140 CO -0.06 0.04 1.14 0.00 0.00 0.00 0.00 175.10 176.22 1kk4 n ALA 141 N 4.83 0.78 -1.13 5.51 0.00 0.03 -1.08 120.51 129.45 1kk4 n ALA 141 Ca -0.14 0.14 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1kk4 n ALA 141 Cb 0.47 -2.20 0.07 0.00 0.00 0.00 0.00 19.45 17.79 1kk4 n ALA 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kk4 n ALA 142 N -0.97 -2.26 -3.65 0.00 0.00 -1.26 -2.83 120.51 109.53 1kk4 n ALA 142 Ca 0.10 -0.35 -0.28 0.00 0.00 0.00 0.00 53.44 52.91 1kk4 n ALA 142 Cb 0.43 -1.74 0.01 0.00 0.00 0.00 0.00 19.45 18.16 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 0.05 -4.51 -4.90 0.00 3.02 0.32 -4.82 115.26 104.42 1kk4 n ASN 143 Ca 0.08 -0.61 -0.23 0.00 -0.03 0.00 0.00 54.58 53.79 1kk4 n ASN 143 Cb 0.51 -3.65 -0.03 0.00 -0.61 0.00 0.00 39.78 36.00 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 -3.03 6.02 -0.33 6.41 0.01 -1.13 -4.74 113.70 116.91 1kk4 s SER 144 Ca 0.54 -0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.82 1kk4 s SER 144 Cb -0.28 -1.70 0.10 0.00 0.21 0.00 0.00 66.02 64.35 1kk4 s SER 144 CO 0.67 -0.01 0.05 -0.69 0.41 0.00 0.00 173.24 173.67 1kk4 s VAL 145 N -1.92 1.91 -0.40 3.43 1.01 -0.83 -0.38 120.40 123.22 1kk4 s VAL 145 Ca 0.33 -2.06 -0.28 0.00 0.00 0.00 0.00 61.98 59.97 1kk4 s VAL 145 Cb -0.09 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.91 1kk4 s VAL 145 CO 0.27 -0.59 1.07 -0.69 0.00 0.00 0.00 175.10 175.17 1kk4 s VAL 146 N 1.10 4.39 -0.10 2.92 1.01 -0.01 -1.23 120.40 128.48 1kk4 s VAL 146 Ca 0.10 1.41 0.11 0.00 0.00 0.00 0.00 61.98 63.59 1kk4 s VAL 146 Cb -0.19 -4.48 -0.15 0.00 0.00 0.00 0.00 36.38 31.56 1kk4 s VAL 146 CO -0.12 -0.72 0.07 1.33 0.00 0.00 0.00 175.10 175.65 1kk4 n VAL 147 N 6.31 0.71 -4.46 2.92 0.24 -1.26 -1.66 118.33 121.12 1kk4 n VAL 147 Ca 0.11 -0.47 -0.23 0.00 -2.04 0.00 0.00 64.34 61.71 1kk4 n VAL 147 Cb 0.48 -0.59 -0.10 0.00 -1.47 0.00 0.00 33.84 32.15 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 -2.35 1.64 0.84 7.34 -2.85 -1.26 -4.83 119.74 118.27 1kk4 s LYS 148 Ca -0.06 -1.85 -0.14 0.00 -1.00 0.00 0.00 55.97 52.93 1kk4 s LYS 148 Cb 0.04 -1.26 0.04 0.00 -2.06 0.00 0.00 37.83 34.59 1kk4 s LYS 148 CO 0.48 0.03 0.73 -0.25 0.10 0.00 0.00 175.35 176.44 1kk4 n ASP 149 N -0.66 -0.76 -4.13 0.03 8.00 -1.26 -4.67 116.55 113.10 1kk4 n ASP 149 Ca -0.05 0.48 -0.30 0.00 0.71 0.00 0.00 54.79 55.63 1kk4 n ASP 149 Cb 0.64 -1.32 -0.17 0.00 -0.02 0.00 0.00 41.12 40.25 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 -2.20 1.76 0.60 0.53 -1.09 0.30 -4.92 121.20 116.17 1kk4 s ILE 150 Ca 0.65 -0.82 -0.17 0.00 -2.23 0.00 0.00 60.65 58.08 1kk4 s ILE 150 Cb -0.27 -1.56 -0.03 0.00 -1.58 0.00 0.00 42.46 39.02 1kk4 s ILE 150 CO 0.59 0.49 1.11 0.00 -1.23 0.00 0.00 174.94 175.90 1kk4 s ALA 151 N 0.69 2.59 0.62 9.38 0.00 -1.26 -0.10 121.76 133.69 1kk4 s ALA 151 Ca -0.12 0.63 -0.18 0.00 0.00 0.00 0.00 51.96 52.30 1kk4 s ALA 151 Cb -0.16 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1kk4 s ALA 151 CO 0.02 -1.01 0.90 -2.30 0.00 0.00 0.00 175.76 173.37 1kk4 n PRO 152 N -1.93 0.76 -4.48 0.00 -0.02 -1.26 -2.71 135.00 125.36 1kk4 n PRO 152 Ca 0.11 0.30 -0.40 0.00 -2.02 0.00 0.00 63.50 61.49 1kk4 n PRO 152 Cb 0.52 -2.11 -0.08 0.00 -0.02 0.00 0.00 33.50 31.81 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 -1.89 -1.22 -4.16 6.00 4.02 0.19 -4.85 117.16 115.26 1kk4 n TYR 153 Ca 0.14 0.68 -0.26 0.00 -0.01 0.00 0.00 57.90 58.45 1kk4 n TYR 153 Cb 0.48 -2.12 -0.07 0.00 -0.02 0.00 0.00 39.34 37.62 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 -7.25 2.62 -0.33 -0.72 -1.94 -1.10 -1.03 119.30 109.55 1kk4 s MET 154 Ca 0.67 -1.04 -0.09 0.00 -1.71 0.00 0.00 55.69 53.53 1kk4 s MET 154 Cb -0.39 -2.47 0.02 0.00 2.01 0.00 0.00 34.83 34.00 1kk4 s MET 154 CO 1.02 0.45 0.14 -1.17 -0.01 0.00 0.00 175.02 175.45 1kk4 s LEU 155 N -3.13 4.27 0.06 -0.03 2.96 0.49 -1.96 118.68 121.34 1kk4 s LEU 155 Ca 0.29 -0.84 0.09 0.00 -0.22 0.00 0.00 54.13 53.46 1kk4 s LEU 155 Cb -0.09 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 1kk4 s LEU 155 CO 0.21 -0.28 -0.25 0.00 -1.32 0.00 0.00 176.35 174.71 1kk4 s ALA 156 N 1.53 2.35 0.20 5.97 0.00 -0.29 0.74 121.76 132.25 1kk4 s ALA 156 Ca 0.02 -1.29 -0.23 0.00 0.00 0.00 0.00 51.96 50.45 1kk4 s ALA 156 Cb -0.18 -0.51 0.05 0.00 0.00 0.00 0.00 23.12 22.48 1kk4 s ALA 156 CO 0.05 0.54 0.91 0.20 0.00 0.00 0.00 175.76 177.46 1kk4 s GLY 157 N -1.44 -0.14 0.00 0.00 0.00 -0.65 -0.79 107.32 104.30 1kk4 s GLY 157 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.79 1kk4 s GLY 157 CO 0.03 0.16 0.00 0.61 0.00 0.00 0.00 173.10 173.90 1kk4 n GLY 158 N -0.49 -2.86 2.56 0.20 0.00 -1.26 -0.57 105.19 102.76 1kk4 n GLY 158 Ca -0.05 -2.11 -0.27 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.91 3.05 0.17 1.61 2.47 -1.26 -1.93 114.94 117.14 1kk4 s ASN 159 Ca 0.00 -1.46 -0.30 0.00 0.42 0.00 0.00 52.86 51.52 1kk4 s ASN 159 Cb 0.00 -0.21 -0.07 0.00 -1.45 0.00 0.00 41.25 39.52 1kk4 s ASN 159 CO 0.00 -0.39 1.07 -2.16 -3.72 0.00 0.00 177.10 171.90 1kk4 s PRO 160 N 1.85 4.62 0.31 0.43 0.04 -1.26 -5.03 135.00 135.96 1kk4 s PRO 160 Ca 0.12 1.67 -0.28 0.00 0.04 0.00 0.00 61.00 62.55 1kk4 s PRO 160 Cb -0.17 -3.29 -0.13 0.00 0.04 0.00 0.00 34.50 30.94 1kk4 s PRO 160 CO -0.26 0.11 1.08 0.00 0.04 0.00 0.00 177.00 177.98 1kk4 n ALA 161 N 2.39 0.18 -2.66 8.56 0.00 -0.36 -4.97 120.51 123.64 1kk4 n ALA 161 Ca 0.02 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.71 1kk4 n ALA 161 Cb 0.47 -2.08 -0.11 0.00 0.00 0.00 0.00 19.45 17.72 1kk4 n ALA 161 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1kk4 s ASN 162 N -0.50 1.02 -0.19 0.00 0.01 0.26 -4.75 114.94 110.80 1kk4 s ASN 162 Ca 0.58 -0.68 -0.29 0.00 -0.71 0.00 0.00 52.86 51.75 1kk4 s ASN 162 Cb -0.66 0.04 -0.03 0.00 0.41 0.00 0.00 41.25 41.01 1kk4 s ASN 162 CO 0.61 -0.26 1.57 -1.61 -1.51 0.00 0.00 177.10 175.89 1kk4 s GLU 163 N -2.22 3.92 -0.18 -0.60 2.02 -1.26 -1.64 118.70 118.73 1kk4 s GLU 163 Ca -0.03 1.74 -0.23 0.00 0.02 0.00 0.00 54.97 56.47 1kk4 s GLU 163 Cb -0.06 -3.99 -0.20 0.00 0.10 0.00 0.00 34.13 29.98 1kk4 s GLU 163 CO -0.01 -1.14 0.36 0.82 0.02 0.00 0.00 175.26 175.31 1kk4 h ILE 164 N 5.96 1.12 -2.79 -1.63 2.04 -0.05 -3.49 117.51 118.68 1kk4 h ILE 164 Ca -0.34 -2.16 -0.06 0.00 1.00 0.00 0.00 64.86 63.30 1kk4 h ILE 164 Cb 1.15 2.44 -0.16 0.00 -0.74 0.00 0.00 36.82 39.51 1kk4 h ILE 164 CO 0.99 0.38 0.04 -0.75 0.00 0.00 0.00 178.15 178.81 1kk4 s LYS 165 N -2.30 1.04 0.29 2.37 2.20 -1.13 -5.00 119.74 117.21 1kk4 s LYS 165 Ca -0.25 -0.25 -0.28 0.00 -0.36 0.00 0.00 55.97 54.82 1kk4 s LYS 165 Cb 0.03 0.48 -0.09 0.00 -1.51 0.00 0.00 37.83 36.73 1kk4 s LYS 165 CO 0.60 -0.38 0.97 -1.14 -0.36 0.00 0.00 175.35 175.03 1kk4 s GLN 166 N -2.53 4.68 0.11 4.03 0.74 -1.26 -0.38 119.66 125.05 1kk4 s GLN 166 Ca -0.05 1.47 -0.14 0.00 0.05 0.00 0.00 55.36 56.70 1kk4 s GLN 166 Cb -0.01 -3.03 -0.08 0.00 1.10 0.00 0.00 33.01 30.99 1kk4 s GLN 166 CO -0.02 0.34 1.43 0.00 -0.55 0.00 0.00 175.29 176.49 1kk4 h ARG 167 N 3.62 0.76 0.00 1.67 3.08 -1.41 -3.46 114.38 118.64 1kk4 h ARG 167 Ca -0.46 -0.41 -0.33 0.00 0.07 0.00 0.00 59.98 58.85 1kk4 h ARG 167 Cb 1.20 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.19 1kk4 h ARG 167 CO 0.66 1.03 -0.29 1.19 -1.07 0.00 0.00 179.97 181.50 1kk4 n PHE 168 N -4.21 -0.10 -2.72 3.04 0.99 -1.26 -5.12 117.46 108.08 1kk4 n PHE 168 Ca -0.04 -1.67 -0.35 0.00 -0.00 0.00 0.00 57.45 55.40 1kk4 n PHE 168 Cb 0.50 0.06 -0.06 0.00 -1.00 0.00 0.00 39.48 38.97 1kk4 n PHE 168 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 1kk4 s ASP 169 N -2.53 6.91 0.23 4.37 1.47 -1.26 -4.86 116.67 121.00 1kk4 s ASP 169 Ca 0.17 1.82 -0.09 0.00 1.18 0.00 0.00 52.55 55.62 1kk4 s ASP 169 Cb 0.01 -2.56 0.34 0.00 -0.34 0.00 0.00 42.92 40.37 1kk4 s ASP 169 CO 0.12 -0.38 1.33 1.67 0.68 0.00 0.00 175.17 178.59 1kk4 n GLN 170 N -0.33 -0.11 0.07 2.11 -0.06 -1.26 -1.69 117.38 116.12 1kk4 n GLN 170 Ca 0.06 1.33 -0.07 0.00 -2.00 0.00 0.00 57.00 56.32 1kk4 n GLN 170 Cb 0.52 -1.98 -0.04 0.00 -4.06 0.00 0.00 30.24 24.69 1kk4 n GLN 170 CO 0.00 0.00 0.00 0.22 -0.20 0.00 0.00 177.06 177.08 1kk4 h ASP 171 N 0.00 -0.59 -0.73 1.69 3.58 -1.99 -1.07 116.42 117.30 1kk4 h ASP 171 Ca 0.38 0.06 0.09 0.00 0.42 0.00 0.00 57.03 57.97 1kk4 h ASP 171 Cb 0.59 0.21 -0.11 0.00 1.72 0.00 0.00 39.33 41.74 1kk4 h ASP 171 CO -0.87 -0.24 -0.52 0.74 -2.88 0.00 0.00 179.24 175.47 1kk4 h THR 172 N -0.34 0.02 -0.73 2.25 2.02 -1.70 0.28 112.91 114.72 1kk4 h THR 172 Ca -0.01 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.33 1kk4 h THR 172 Cb 0.31 0.02 -0.12 0.00 -1.74 0.00 0.00 68.15 66.63 1kk4 h THR 172 CO -0.07 0.00 0.11 0.40 0.37 0.00 0.00 175.52 176.32 1kk4 h ILE 173 N -0.17 0.45 -0.45 3.11 2.04 -1.23 0.16 117.51 121.43 1kk4 h ILE 173 Ca 0.16 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.99 1kk4 h ILE 173 Cb 0.52 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1kk4 h ILE 173 CO -0.79 0.04 0.24 0.78 0.00 0.00 0.00 178.15 178.42 1kk4 h ASN 174 N 0.19 0.37 0.14 1.72 -0.26 0.33 1.00 115.58 119.07 1kk4 h ASN 174 Ca 0.41 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 56.16 1kk4 h ASN 174 Cb 0.71 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.90 1kk4 h ASN 174 CO -0.56 0.26 -0.14 1.56 -1.06 0.00 0.00 177.43 177.49 1kk4 h GLN 175 N 0.48 -0.26 -0.81 0.81 4.20 0.78 -1.65 115.11 118.66 1kk4 h GLN 175 Ca 0.19 0.02 0.15 0.00 0.06 0.00 0.00 58.65 59.07 1kk4 h GLN 175 Cb 0.07 0.06 -0.15 0.00 0.30 0.00 0.00 27.48 27.76 1kk4 h GLN 175 CO -0.12 -0.18 -0.26 -0.07 -0.67 0.00 0.00 178.83 177.53 1kk4 h LEU 176 N -0.27 -0.96 -1.01 1.46 3.38 -0.65 0.38 115.31 117.63 1kk4 h LEU 176 Ca -0.02 0.26 0.09 0.00 0.09 0.00 0.00 57.88 58.30 1kk4 h LEU 176 Cb 0.24 0.57 -0.08 0.00 0.09 0.00 0.00 40.66 41.48 1kk4 h LEU 176 CO -0.02 -0.28 0.64 -0.07 0.09 0.00 0.00 178.44 178.80 1kk4 h LEU 177 N -0.03 0.99 -0.02 1.67 3.38 -0.69 -1.32 115.31 119.29 1kk4 h LEU 177 Ca 0.36 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.35 1kk4 h LEU 177 Cb 0.60 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1kk4 h LEU 177 CO -0.84 0.58 -0.02 -0.78 0.09 0.00 0.00 178.44 177.47 1kk4 h ASP 178 N 1.09 0.05 -0.27 -0.43 3.58 0.54 -3.31 116.42 117.68 1kk4 h ASP 178 Ca 0.47 -0.48 0.06 0.00 0.42 0.00 0.00 57.03 57.51 1kk4 h ASP 178 Cb 0.33 -0.01 -0.07 0.00 1.72 0.00 0.00 39.33 41.29 1kk4 h ASP 178 CO -0.22 0.51 -0.25 0.40 -2.88 0.00 0.00 179.24 176.80 1kk4 h ILE 179 N -0.42 0.36 -5.77 2.25 5.03 0.21 -3.47 117.51 115.71 1kk4 h ILE 179 Ca 0.00 0.00 -0.33 0.00 -0.12 0.00 0.00 64.86 64.42 1kk4 h ILE 179 Cb 0.50 0.36 0.15 0.00 -3.03 0.00 0.00 36.82 34.80 1kk4 h ILE 179 CO 0.00 0.00 -0.88 0.29 -0.68 0.00 0.00 178.15 176.88 1kk4 n LYS 180 N -5.39 -2.33 0.27 2.37 5.02 -0.56 -4.90 118.16 112.65 1kk4 n LYS 180 Ca -0.01 0.71 0.13 0.00 -2.02 0.00 0.00 58.31 57.12 1kk4 n LYS 180 Cb 0.30 -5.22 0.76 0.00 -0.02 0.00 0.00 35.03 30.85 1kk4 n LYS 180 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 1kk4 h TRP 181 N -1.45 0.00 0.00 2.13 5.08 -1.91 -1.06 115.95 118.74 1kk4 h TRP 181 Ca -0.63 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.34 1kk4 h TRP 181 Cb 1.33 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.49 1kk4 h TRP 181 CO 0.33 0.09 0.00 -2.67 -1.28 0.00 0.00 178.44 174.91 1kk4 n TRP 182 N -3.76 0.39 -1.02 0.12 2.14 -1.26 -2.01 117.44 112.05 1kk4 n TRP 182 Ca -0.02 0.17 -0.02 0.00 2.07 0.00 0.00 57.50 59.69 1kk4 n TRP 182 Cb 0.19 -0.77 0.33 0.00 -0.81 0.00 0.00 31.31 30.26 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 -1.87 5.06 -4.96 -0.67 3.02 -0.40 -4.95 115.26 110.49 1kk4 n ASN 183 Ca 0.02 -3.15 -0.23 0.00 -0.03 0.00 0.00 54.58 51.18 1kk4 n ASN 183 Cb 0.15 -0.73 -0.02 0.00 -0.61 0.00 0.00 39.78 38.57 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 -2.94 3.47 0.40 3.10 0.51 -0.85 -5.06 118.94 117.56 1kk4 s TRP 184 Ca 0.55 0.10 -0.26 0.00 -2.12 0.00 0.00 56.10 54.37 1kk4 s TRP 184 Cb 0.43 -1.67 -0.09 0.00 -0.81 0.00 0.00 33.47 31.34 1kk4 s TRP 184 CO 0.14 0.40 1.27 -1.25 -0.51 0.00 0.00 176.95 177.00 1kk4 s PRO 185 N -3.82 4.01 0.29 4.98 0.04 -1.26 -4.80 135.00 134.44 1kk4 s PRO 185 Ca 0.35 2.08 0.04 0.00 0.04 0.00 0.00 61.00 63.52 1kk4 s PRO 185 Cb -0.10 -2.76 0.72 0.00 0.04 0.00 0.00 34.50 32.40 1kk4 s PRO 185 CO 0.30 -0.43 1.73 0.97 0.04 0.00 0.00 177.00 179.61 1kk4 h ILE 186 N 2.47 0.58 -0.77 0.56 6.09 -1.97 -2.03 117.51 122.43 1kk4 h ILE 186 Ca -0.49 -0.19 0.15 0.00 -1.37 0.00 0.00 64.86 62.96 1kk4 h ILE 186 Cb 1.24 -0.01 -0.15 0.00 0.47 0.00 0.00 36.82 38.38 1kk4 h ILE 186 CO 0.63 0.10 -0.22 0.44 -3.07 0.00 0.00 178.15 176.02 1kk4 h ASP 187 N 0.54 -0.82 0.69 2.19 3.32 -1.97 0.87 116.42 121.23 1kk4 h ASP 187 Ca 0.56 0.24 -0.03 0.00 0.02 0.00 0.00 57.03 57.81 1kk4 h ASP 187 Cb 0.98 0.51 0.01 0.00 0.22 0.00 0.00 39.33 41.05 1kk4 h ASP 187 CO -0.46 -0.27 -0.33 0.40 -1.72 0.00 0.00 179.24 176.86 1kk4 h ILE 188 N -0.02 0.00 -0.93 0.35 2.04 -1.75 -2.87 117.51 114.34 1kk4 h ILE 188 Ca 0.36 -0.33 0.23 0.00 1.00 0.00 0.00 64.86 66.12 1kk4 h ILE 188 Cb 0.57 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.48 1kk4 h ILE 188 CO -0.80 0.00 -0.05 0.40 0.00 0.00 0.00 178.15 177.70 1kk4 h ILE 189 N -1.25 0.10 -0.20 -0.67 2.04 -1.09 1.00 117.51 117.43 1kk4 h ILE 189 Ca -0.09 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 65.81 1kk4 h ILE 189 Cb 0.71 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1kk4 h ILE 189 CO 0.15 0.01 0.19 0.78 0.00 0.00 0.00 178.15 179.28 1kk4 h ASN 190 N 0.03 0.00 1.10 1.72 2.35 0.81 -1.78 115.58 119.80 1kk4 h ASN 190 Ca 0.52 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.27 1kk4 h ASN 190 Cb 0.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.34 1kk4 h ASN 190 CO -0.88 0.00 -0.79 -0.33 -1.65 0.00 0.00 177.43 173.78 1kk4 h GLU 191 N 0.00 0.00 -0.03 0.81 5.08 0.13 -3.36 114.58 117.20 1kk4 h GLU 191 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1kk4 h GLU 191 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1kk4 h GLU 191 CO -0.00 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.10 1kk4 n ASN 192 N -2.61 2.21 -0.33 1.42 3.02 -0.79 -4.73 115.26 113.45 1kk4 n ASN 192 Ca 0.01 -2.35 0.30 0.00 -0.03 0.00 0.00 54.58 52.51 1kk4 n ASN 192 Cb 0.52 -0.15 0.56 0.00 -0.61 0.00 0.00 39.78 40.09 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 0.17 0.09 -0.63 2.41 2.04 -1.51 0.52 117.51 120.60 1kk4 h ILE 193 Ca 0.00 -0.03 -0.09 0.00 1.00 0.00 0.00 64.86 65.74 1kk4 h ILE 193 Cb 0.69 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1kk4 h ILE 193 CO 0.01 0.02 0.06 0.44 0.00 0.00 0.00 178.15 178.67 1kk4 h ASP 194 N 0.10 1.04 0.08 1.72 3.32 -1.89 0.67 116.42 121.46 1kk4 h ASP 194 Ca 0.81 -0.28 -0.19 0.00 0.02 0.00 0.00 57.03 57.40 1kk4 h ASP 194 Cb 2.08 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 41.35 1kk4 h ASP 194 CO -0.72 1.06 -0.68 0.11 -1.72 0.00 0.00 179.24 177.29 1kk4 h LYS 195 N 0.98 0.55 -0.90 3.56 1.57 -0.44 -2.18 116.57 119.70 1kk4 h LYS 195 Ca 0.19 -0.41 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 1kk4 h LYS 195 Cb 0.49 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 1kk4 h LYS 195 CO 0.02 1.04 0.49 0.82 -0.57 0.00 0.00 179.45 181.25 1kk4 h ILE 196 N 0.39 1.26 0.00 1.86 2.04 -0.57 0.48 117.51 122.97 1kk4 h ILE 196 Ca -0.02 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1kk4 h ILE 196 Cb 1.26 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1kk4 h ILE 196 CO 0.13 0.29 -0.09 -0.07 0.00 0.00 0.00 178.15 178.41 1kk4 h LEU 197 N 1.26 0.00 -2.52 1.44 3.38 -0.66 -3.14 115.31 115.06 1kk4 h LEU 197 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1kk4 h LEU 197 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1kk4 h LEU 197 CO -0.05 0.09 0.00 -0.90 0.09 0.00 0.00 178.44 177.67 1kk4 n ASP 198 N -3.25 2.06 -0.84 -0.43 5.75 -0.65 -5.01 116.55 114.18 1kk4 n ASP 198 Ca 0.00 -1.79 -0.11 0.00 -0.01 0.00 0.00 54.79 52.88 1kk4 n ASP 198 Cb 0.33 -0.06 -0.05 0.00 -1.03 0.00 0.00 41.12 40.32 1kk4 n ASP 198 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1kk4 n ASN 199 N -0.07 -5.18 0.03 -1.12 2.85 0.16 -4.88 115.26 107.05 1kk4 n ASN 199 Ca 0.03 0.27 0.13 0.00 -0.11 0.00 0.00 54.58 54.90 1kk4 n ASN 199 Cb 0.26 -3.64 0.35 0.00 1.24 0.00 0.00 39.78 37.99 1kk4 n ASN 199 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1kk4 n SER 200 N -0.76 0.45 -0.30 1.20 3.41 -0.84 -3.93 113.62 112.84 1kk4 n SER 200 Ca -0.11 0.16 0.34 0.00 -0.26 0.00 0.00 58.87 59.00 1kk4 n SER 200 Cb 0.50 -0.12 0.63 0.00 -0.26 0.00 0.00 64.21 64.97 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 0.13 0.65 -1.33 2.10 -1.89 0.36 117.51 117.52 1kk4 h ILE 201 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.91 1kk4 h ILE 201 Cb 0.59 0.18 0.01 0.00 -1.09 0.00 0.00 36.82 36.51 1kk4 h ILE 201 CO 0.00 0.00 -0.31 0.40 -1.08 0.00 0.00 178.15 177.16 1kk4 h ILE 202 N 0.00 0.24 -0.54 2.19 2.04 -1.92 -3.30 117.51 116.22 1kk4 h ILE 202 Ca 0.56 -0.25 0.16 0.00 1.00 0.00 0.00 64.86 66.33 1kk4 h ILE 202 Cb 2.72 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 39.08 1kk4 h ILE 202 CO -0.01 0.03 0.40 0.03 0.00 0.00 0.00 178.15 178.60 1kk4 h ARG 203 N -1.07 0.00 0.00 2.37 3.08 -1.20 -2.17 114.38 115.38 1kk4 h ARG 203 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1kk4 h ARG 203 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1kk4 h ARG 203 CO 0.15 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.44 1kk4 n GLU 204 N -4.31 0.14 0.00 0.04 -0.58 -1.21 -5.19 120.64 109.52 1kk4 n GLU 204 Ca 0.10 0.32 0.13 0.00 -0.42 0.00 0.00 57.16 57.29 1kk4 n GLU 204 Cb 0.63 -1.74 0.35 0.00 -0.57 0.00 0.00 31.44 30.11 1kk4 n GLU 204 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98