#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kzp s PHE 6 N 0.00 1.71 0.13 5.58 0.08 -1.26 -3.67 117.98 120.55 3kzp s PHE 6 Ca 0.00 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.65 3kzp s PHE 6 Cb 0.00 -0.98 -0.04 0.00 -0.57 0.00 0.00 43.02 41.43 3kzp s PHE 6 CO 0.00 0.13 0.05 1.14 -0.10 0.00 0.00 175.22 176.44 3kzp s GLN 7 N -1.48 0.92 -0.15 0.44 -2.07 0.04 -4.95 119.66 112.42 3kzp s GLN 7 Ca 0.06 -1.44 -0.07 0.00 -1.82 0.00 0.00 55.36 52.10 3kzp s GLN 7 Cb -0.09 0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 32.02 3kzp s GLN 7 CO 0.03 -0.25 0.08 -0.51 -1.32 0.00 0.00 175.29 173.31 3kzp s LEU 8 N -3.05 3.98 0.29 2.60 1.43 -1.26 -1.15 118.68 121.53 3kzp s LEU 8 Ca 0.24 0.22 0.08 0.00 -1.03 0.00 0.00 54.13 53.64 3kzp s LEU 8 Cb 0.07 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 3kzp s LEU 8 CO 0.02 0.28 0.20 -0.36 0.23 0.00 0.00 176.35 176.71 3kzp s PHE 9 N -0.27 2.94 0.00 0.29 0.40 0.11 -2.05 117.98 119.40 3kzp s PHE 9 Ca 0.09 -0.22 0.08 0.00 -0.60 0.00 0.00 56.93 56.28 3kzp s PHE 9 Cb -0.12 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.86 3kzp s PHE 9 CO 0.01 0.40 -0.25 0.96 0.70 0.00 0.00 175.22 177.05 3kzp s ILE 10 N -2.25 1.96 -0.30 0.64 -4.36 0.10 -0.54 121.20 116.46 3kzp s ILE 10 Ca 0.36 -1.14 0.03 0.00 -0.26 0.00 0.00 60.65 59.64 3kzp s ILE 10 Cb -0.06 -1.65 0.08 0.00 1.25 0.00 0.00 42.46 42.08 3kzp s ILE 10 CO 0.25 0.48 -0.03 -1.58 0.24 0.00 0.00 174.94 174.29 3kzp s GLN 11 N -0.79 1.85 0.25 0.37 0.74 0.11 -1.63 119.66 120.56 3kzp s GLN 11 Ca 0.10 -1.59 -0.31 0.00 0.05 0.00 0.00 55.36 53.60 3kzp s GLN 11 Cb -0.10 -3.03 -0.12 0.00 1.10 0.00 0.00 33.01 30.87 3kzp s GLN 11 CO 0.00 -0.75 1.65 -2.30 -0.55 0.00 0.00 175.29 173.34 3kzp n PRO 12 N 4.35 2.72 -3.28 1.67 -0.02 -1.26 -1.67 135.00 137.51 3kzp n PRO 12 Ca -0.05 0.97 -0.42 0.00 -2.02 0.00 0.00 63.50 61.98 3kzp n PRO 12 Cb 0.42 -2.78 -0.08 0.00 -0.02 0.00 0.00 33.50 31.03 3kzp n PRO 12 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3kzp s LYS 13 N 0.30 3.35 -0.22 -0.52 -0.14 0.27 -4.93 119.74 117.85 3kzp s LYS 13 Ca 0.69 -0.48 -0.07 0.00 -1.36 0.00 0.00 55.97 54.75 3kzp s LYS 13 Cb -0.51 -3.89 -0.03 0.00 -1.68 0.00 0.00 37.83 31.72 3kzp s LYS 13 CO 0.41 -0.76 0.06 -0.51 -0.76 0.00 0.00 175.35 173.79 3kzp s LEU 14 N 2.28 3.54 0.26 3.17 1.43 -1.26 -0.30 118.68 127.80 3kzp s LEU 14 Ca 0.15 -0.11 -0.31 0.00 -1.03 0.00 0.00 54.13 52.84 3kzp s LEU 14 Cb -0.16 -1.92 -0.12 0.00 0.03 0.00 0.00 46.19 44.02 3kzp s LEU 14 CO 0.14 0.05 1.63 -0.67 0.23 0.00 0.00 176.35 177.74 3kzp n ASP 15 N 4.35 3.87 0.08 2.29 2.03 -0.44 -1.42 116.55 127.31 3kzp n ASP 15 Ca -0.16 1.12 -0.01 0.00 0.52 0.00 0.00 54.79 56.25 3kzp n ASP 15 Cb 0.52 -1.58 0.26 0.00 -0.72 0.00 0.00 41.12 39.59 3kzp n ASP 15 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3kzp h VAL 16 N 3.49 1.27 0.05 5.18 2.07 -1.80 0.06 116.25 126.57 3kzp h VAL 16 Ca -0.46 -1.29 -0.33 0.00 0.82 0.00 0.00 66.70 65.44 3kzp h VAL 16 Cb 1.22 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 3kzp h VAL 16 CO 0.85 0.39 -1.93 0.18 0.02 0.00 0.00 177.57 177.08 3kzp n LEU 17 N -4.11 1.64 0.00 2.57 4.77 -1.26 -4.54 117.00 116.08 3kzp n LEU 17 Ca -0.01 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3kzp n LEU 17 Cb 0.41 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3kzp n LEU 17 CO 0.41 0.62 0.00 0.00 -1.33 0.00 0.00 177.39 177.09 3kzp n GLN 18 N -3.21 4.71 -0.97 3.23 10.64 -1.23 -5.03 117.38 125.52 3kzp n GLN 18 Ca -0.26 -0.01 0.00 0.00 -1.83 0.00 0.00 57.00 54.90 3kzp n GLN 18 Cb 1.06 -0.35 0.00 0.00 -0.86 0.00 0.00 30.24 30.08 3kzp n GLN 18 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3kzp n GLY 19 N 0.67 0.79 3.74 2.61 0.00 0.01 -4.99 105.19 108.02 3kzp n GLY 19 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3kzp n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kzp s ASN 20 N -2.59 4.70 -0.45 1.61 4.22 -1.26 -4.47 114.94 116.70 3kzp s ASN 20 Ca 0.00 2.42 -0.28 0.00 -2.14 0.00 0.00 52.86 52.86 3kzp s ASN 20 Cb 0.00 -2.60 0.03 0.00 1.28 0.00 0.00 41.25 39.96 3kzp s ASN 20 CO 0.00 -1.93 1.06 -0.63 -2.04 0.00 0.00 177.10 173.56 3kzp s ILE 21 N -1.71 4.34 -0.06 0.54 1.01 -1.26 -1.33 121.20 122.73 3kzp s ILE 21 Ca 0.77 1.15 -0.17 0.00 0.00 0.00 0.00 60.65 62.40 3kzp s ILE 21 Cb -0.31 -4.51 -0.30 0.00 0.01 0.00 0.00 42.46 37.34 3kzp s ILE 21 CO 0.39 -0.86 0.75 0.58 0.00 0.00 0.00 174.94 175.80 3kzp h VAL 22 N 6.10 1.22 -2.73 2.92 2.07 -1.04 -3.49 116.25 121.31 3kzp h VAL 22 Ca -0.23 -2.50 0.11 0.00 0.82 0.00 0.00 66.70 64.89 3kzp h VAL 22 Cb 1.07 2.94 -0.05 0.00 -1.52 0.00 0.00 31.29 33.72 3kzp h VAL 22 CO 1.08 0.74 0.35 -1.83 0.02 0.00 0.00 177.57 177.93 3kzp s GLU 23 N -2.49 1.59 -0.06 1.57 -1.05 -1.25 -4.65 118.70 112.36 3kzp s GLU 23 Ca -0.16 -0.91 0.04 0.00 -0.15 0.00 0.00 54.97 53.80 3kzp s GLU 23 Cb 0.03 0.52 -0.02 0.00 -0.44 0.00 0.00 34.13 34.22 3kzp s GLU 23 CO 0.82 -0.73 -0.18 0.71 0.95 0.00 0.00 175.26 176.83 3kzp s TYR 24 N -3.41 2.59 -0.17 4.83 2.02 -0.21 -0.57 117.35 122.44 3kzp s TYR 24 Ca 0.13 -0.38 -0.07 0.00 -0.37 0.00 0.00 57.07 56.37 3kzp s TYR 24 Cb -0.04 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 39.85 3kzp s TYR 24 CO 0.06 0.02 0.09 -2.00 -1.57 0.00 0.00 175.55 172.14 3kzp s GLU 25 N -0.47 3.83 -0.16 -0.62 2.12 -0.67 -0.62 118.70 122.12 3kzp s GLU 25 Ca 0.06 -0.28 -0.20 0.00 0.36 0.00 0.00 54.97 54.91 3kzp s GLU 25 Cb -0.12 -3.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 3kzp s GLU 25 CO 0.01 0.42 0.59 0.42 -0.54 0.00 0.00 175.26 176.17 3kzp s ILE 26 N -0.03 5.07 -0.03 -3.70 -1.09 -0.23 0.05 121.20 121.24 3kzp s ILE 26 Ca 0.08 1.13 0.05 0.00 -2.23 0.00 0.00 60.65 59.68 3kzp s ILE 26 Cb -0.12 -3.91 -0.01 0.00 -1.58 0.00 0.00 42.46 36.84 3kzp s ILE 26 CO 0.00 0.19 -0.18 -0.76 -1.23 0.00 0.00 174.94 172.96 3kzp s LEU 27 N 1.45 1.96 0.16 2.97 1.43 0.30 -4.42 118.68 122.54 3kzp s LEU 27 Ca 0.29 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.74 3kzp s LEU 27 Cb -0.16 -0.98 -0.07 0.00 0.03 0.00 0.00 46.19 45.01 3kzp s LEU 27 CO 0.11 0.18 1.03 -0.76 0.23 0.00 0.00 176.35 177.15 3kzp s LEU 28 N -0.13 4.51 0.04 1.79 1.43 -1.26 0.04 118.68 125.10 3kzp s LEU 28 Ca -0.00 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 3kzp s LEU 28 Cb -0.10 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 3kzp s LEU 28 CO 0.01 -0.12 -0.04 -0.13 0.23 0.00 0.00 176.35 176.30 3kzp s ARG 29 N -0.37 0.50 0.08 1.70 1.81 -0.30 -4.22 118.95 118.15 3kzp s ARG 29 Ca 0.47 -0.93 -0.01 0.00 -1.72 0.00 0.00 55.73 53.54 3kzp s ARG 29 Cb -0.27 0.06 0.02 0.00 -0.45 0.00 0.00 34.95 34.31 3kzp s ARG 29 CO 0.33 -0.06 0.10 -0.40 -0.68 0.00 0.00 175.30 174.60 3kzp n ASP 30 N 0.86 0.02 -2.16 0.23 5.68 -0.80 -0.78 116.55 119.59 3kzp n ASP 30 Ca -0.19 -1.04 -0.19 0.00 -0.50 0.00 0.00 54.79 52.87 3kzp n ASP 30 Cb 0.58 -0.08 0.22 0.00 -1.14 0.00 0.00 41.12 40.69 3kzp n ASP 30 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3kzp n ASP 31 N -3.06 4.07 -4.77 -1.12 5.75 -1.24 -4.51 116.55 111.67 3kzp n ASP 31 Ca 0.01 -3.48 -0.31 0.00 -0.01 0.00 0.00 54.79 51.00 3kzp n ASP 31 Cb 0.05 -0.81 0.09 0.00 -1.03 0.00 0.00 41.12 39.42 3kzp n ASP 31 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3kzp s SER 32 N -1.19 4.46 0.18 -1.12 0.01 -1.26 -4.93 113.70 109.85 3kzp s SER 32 Ca 0.56 1.81 -0.14 0.00 1.31 0.00 0.00 55.95 59.49 3kzp s SER 32 Cb 0.47 -2.50 0.15 0.00 0.21 0.00 0.00 66.02 64.34 3kzp s SER 32 CO 0.12 -2.06 1.73 0.00 0.41 0.00 0.00 173.24 173.44 3kzp h ALA 33 N -1.15 0.52 -3.35 1.44 0.00 -2.04 -3.21 119.26 111.47 3kzp h ALA 33 Ca -0.44 0.08 -0.69 0.00 0.00 0.00 0.00 54.91 53.86 3kzp h ALA 33 Cb 1.23 0.09 -0.31 0.00 0.00 0.00 0.00 17.79 18.80 3kzp h ALA 33 CO 0.51 -0.29 -0.65 0.54 0.00 0.00 0.00 179.25 179.37 3kzp s VAL 34 N -6.14 3.30 0.31 0.00 0.11 -1.26 -5.09 120.40 111.62 3kzp s VAL 34 Ca -0.13 -1.35 -0.29 0.00 -2.93 0.00 0.00 61.98 57.28 3kzp s VAL 34 Cb 0.14 -2.92 -0.10 0.00 -1.53 0.00 0.00 36.38 31.98 3kzp s VAL 34 CO 0.72 -0.18 1.31 -2.84 -3.33 0.00 0.00 175.10 170.78 3kzp s PRO 35 N 1.30 4.37 0.19 1.54 0.02 -1.22 -5.03 135.00 136.16 3kzp s PRO 35 Ca -0.03 2.19 0.02 0.00 0.02 0.00 0.00 61.00 63.20 3kzp s PRO 35 Cb -0.20 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.18 3kzp s PRO 35 CO 0.00 -0.19 0.01 -0.98 -0.33 0.00 0.00 177.00 175.51 3kzp s ARG 36 N -1.52 1.15 0.18 5.54 1.70 -1.26 -4.94 118.95 119.80 3kzp s ARG 36 Ca 0.50 -1.57 -0.33 0.00 -0.47 0.00 0.00 55.73 53.86 3kzp s ARG 36 Cb -0.39 -0.28 -0.13 0.00 -0.57 0.00 0.00 34.95 33.57 3kzp s ARG 36 CO 0.50 -0.15 1.62 0.34 -1.08 0.00 0.00 175.30 176.53 3kzp n PHE 37 N -0.27 2.41 -2.68 5.89 7.35 -1.26 -1.90 117.46 127.00 3kzp n PHE 37 Ca -0.06 0.21 -0.43 0.00 -0.76 0.00 0.00 57.45 56.41 3kzp n PHE 37 Cb 0.64 -2.58 0.00 0.00 0.35 0.00 0.00 39.48 37.89 3kzp n PHE 37 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3kzp n PRO 38 N 3.55 3.56 0.26 -7.13 -0.04 -1.26 -4.84 135.00 129.10 3kzp n PRO 38 Ca 0.17 -3.76 -0.16 0.00 -0.04 0.00 0.00 63.50 59.71 3kzp n PRO 38 Cb 0.30 -2.94 -0.08 0.00 -0.04 0.00 0.00 33.50 30.75 3kzp n PRO 38 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3kzp h LEU 39 N 8.47 -0.55 -0.69 1.53 5.85 -1.98 -0.73 115.31 127.22 3kzp h LEU 39 Ca 0.34 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.10 3kzp h LEU 39 Cb 0.74 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.85 3kzp h LEU 39 CO 1.42 -0.30 0.36 0.28 -0.34 0.00 0.00 178.44 179.87 3kzp h SER 40 N -0.78 0.51 -0.34 1.25 0.02 -1.99 -0.75 113.55 111.47 3kzp h SER 40 Ca -0.07 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 3kzp h SER 40 Cb 0.56 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 3kzp h SER 40 CO 0.11 0.32 0.08 -0.33 -1.14 0.00 0.00 176.83 175.87 3kzp h GLU 41 N 0.65 0.54 -0.51 3.45 3.07 -1.92 -0.83 114.58 119.02 3kzp h GLU 41 Ca 0.32 -0.13 -0.08 0.00 -0.50 0.00 0.00 59.36 58.98 3kzp h GLU 41 Cb 0.27 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 3kzp h GLU 41 CO -0.22 0.59 0.01 1.25 -1.40 0.00 0.00 179.01 179.24 3kzp h LEU 42 N 0.39 0.82 -1.01 1.33 5.85 -0.96 -2.03 115.31 119.70 3kzp h LEU 42 Ca 0.11 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 3kzp h LEU 42 Cb 0.29 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3kzp h LEU 42 CO 0.00 0.88 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.64 3kzp h GLU 43 N 0.80 0.70 -0.51 1.25 5.08 -0.91 -0.57 114.58 120.42 3kzp h GLU 43 Ca 0.15 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 3kzp h GLU 43 Cb 0.46 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3kzp h GLU 43 CO 0.02 0.72 -0.05 0.00 -1.00 0.00 0.00 179.01 178.70 3kzp h ALA 44 N 1.33 0.95 -0.49 3.43 0.00 -0.70 -1.45 119.26 122.33 3kzp h ALA 44 Ca 0.13 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3kzp h ALA 44 Cb 0.42 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3kzp h ALA 44 CO 0.02 0.63 0.08 0.28 0.00 0.00 0.00 179.25 180.26 3kzp h VAL 45 N 0.82 1.25 0.00 0.00 2.07 -1.23 -2.76 116.25 116.39 3kzp h VAL 45 Ca 0.14 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 3kzp h VAL 45 Cb 0.56 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3kzp h VAL 45 CO 0.03 0.33 -0.19 0.25 0.02 0.00 0.00 177.57 178.01 3kzp h LEU 46 N 0.69 0.00 -0.16 2.57 5.85 -0.85 -2.93 115.31 120.47 3kzp h LEU 46 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3kzp h LEU 46 Cb 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3kzp h LEU 46 CO 0.01 0.19 -0.09 0.00 -0.34 0.00 0.00 178.44 178.21 3kzp n ALA 47 N -2.34 2.71 -3.71 1.25 0.00 -0.57 -4.62 120.51 113.23 3kzp n ALA 47 Ca -0.02 -0.24 -0.23 0.00 0.00 0.00 0.00 53.44 52.96 3kzp n ALA 47 Cb 0.30 -1.37 -0.18 0.00 0.00 0.00 0.00 19.45 18.20 3kzp n ALA 47 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kzp s ASP 48 N -2.51 1.69 0.27 0.00 3.68 -1.11 -4.84 116.67 113.84 3kzp s ASP 48 Ca 0.28 -0.19 -0.04 0.00 2.13 0.00 0.00 52.55 54.73 3kzp s ASP 48 Cb 0.20 -0.32 0.33 0.00 -1.45 0.00 0.00 42.92 41.68 3kzp s ASP 48 CO 0.48 -0.25 1.90 -0.08 0.13 0.00 0.00 175.17 177.34 3kzp h GLU 49 N 8.37 1.13 -0.66 4.34 4.81 -1.86 0.95 114.58 131.67 3kzp h GLU 49 Ca -0.16 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 58.91 3kzp h GLU 49 Cb 1.13 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 3kzp h GLU 49 CO 0.23 0.82 0.24 0.93 -0.73 0.00 0.00 179.01 180.50 3kzp h GLU 50 N 1.14 1.01 -0.11 1.92 5.08 -1.96 0.35 114.58 122.01 3kzp h GLU 50 Ca 0.29 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 3kzp h GLU 50 Cb -0.00 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3kzp h GLU 50 CO -0.05 0.86 -0.56 -0.07 -1.00 0.00 0.00 179.01 178.20 3kzp h LEU 51 N 0.95 0.38 -0.69 1.33 3.38 -1.66 -2.32 115.31 116.69 3kzp h LEU 51 Ca 0.22 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3kzp h LEU 51 Cb 0.25 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3kzp h LEU 51 CO -0.01 0.86 -0.15 0.22 0.09 0.00 0.00 178.44 179.45 3kzp h TYR 52 N 0.26 0.97 -0.18 1.13 3.20 -0.57 0.46 116.97 122.24 3kzp h TYR 52 Ca 0.00 -0.20 0.01 0.00 3.14 0.00 0.00 58.73 61.68 3kzp h TYR 52 Cb 1.06 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 3kzp h TYR 52 CO 0.03 0.95 0.09 1.25 -1.64 0.00 0.00 178.16 178.84 3kzp h LEU 53 N 0.77 0.14 -0.70 2.82 5.85 -0.73 0.69 115.31 124.14 3kzp h LEU 53 Ca 0.12 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3kzp h LEU 53 Cb 0.67 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3kzp h LEU 53 CO 0.05 0.11 0.31 0.00 -0.34 0.00 0.00 178.44 178.57 3kzp h ALA 54 N 1.09 0.91 -0.41 1.25 0.00 -1.27 -0.54 119.26 120.29 3kzp h ALA 54 Ca 0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3kzp h ALA 54 Cb 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3kzp h ALA 54 CO -0.05 0.50 0.11 0.35 0.00 0.00 0.00 179.25 180.15 3kzp h PHE 55 N 0.99 0.68 -0.94 0.00 3.57 -0.66 -1.80 116.94 118.78 3kzp h PHE 55 Ca 0.24 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.67 3kzp h PHE 55 Cb 0.16 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 3kzp h PHE 55 CO 0.01 0.65 0.62 0.77 -2.23 0.00 0.00 178.31 178.13 3kzp h SER 56 N 0.52 1.07 -0.28 0.41 0.02 -0.59 0.43 113.55 115.14 3kzp h SER 56 Ca 0.13 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3kzp h SER 56 Cb 0.30 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3kzp h SER 56 CO 0.00 0.77 -0.02 -0.33 -1.14 0.00 0.00 176.83 176.12 3kzp h GLU 57 N 1.27 0.50 -0.04 3.45 5.08 -0.96 -0.89 114.58 122.99 3kzp h GLU 57 Ca 0.35 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 3kzp h GLU 57 Cb -0.14 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 3kzp h GLU 57 CO -0.08 0.67 -0.10 2.35 -1.00 0.00 0.00 179.01 180.86 3kzp h TRP 58 N 0.28 -0.24 -0.27 4.33 7.01 -0.91 -2.76 115.95 123.40 3kzp h TRP 58 Ca 0.08 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 3kzp h TRP 58 Cb 0.46 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.62 3kzp h TRP 58 CO 0.04 -0.15 0.13 0.35 -2.79 0.00 0.00 178.44 176.02 3kzp h PHE 59 N -0.15 0.38 -0.38 2.65 3.57 -0.00 -0.31 116.94 122.71 3kzp h PHE 59 Ca 0.05 -0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.39 3kzp h PHE 59 Cb 0.21 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3kzp h PHE 59 CO -0.18 0.36 -0.31 0.66 -2.23 0.00 0.00 178.31 176.62 3kzp h SER 60 N 0.30 0.86 -0.29 0.41 4.64 -1.21 0.22 113.55 118.48 3kzp h SER 60 Ca 0.09 -0.35 -0.10 0.00 -0.47 0.00 0.00 61.79 60.96 3kzp h SER 60 Cb 0.12 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 3kzp h SER 60 CO -0.01 1.10 -0.19 -0.08 -0.87 0.00 0.00 176.83 176.78 3kzp h GLU 61 N 0.70 0.64 -0.66 4.77 4.57 -1.42 0.57 114.58 123.74 3kzp h GLU 61 Ca 0.08 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 3kzp h GLU 61 Cb 0.86 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.41 3kzp h GLU 61 CO 0.08 0.89 0.41 0.00 -1.18 0.00 0.00 179.01 179.21 3kzp h ALA 62 N 0.73 0.84 -0.22 2.92 0.00 -0.79 -1.18 119.26 121.56 3kzp h ALA 62 Ca 0.06 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3kzp h ALA 62 Cb 0.73 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3kzp h ALA 62 CO 0.05 0.31 -0.46 0.35 0.00 0.00 0.00 179.25 179.50 3kzp h PHE 63 N 0.90 0.69 -0.73 0.00 3.57 -0.40 -2.55 116.94 118.42 3kzp h PHE 63 Ca 0.24 -0.22 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 3kzp h PHE 63 Cb -0.04 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 3kzp h PHE 63 CO -0.02 0.93 0.31 1.25 -2.23 0.00 0.00 178.31 178.55 3kzp h LEU 64 N 0.46 1.00 -0.69 0.59 5.85 -0.59 -0.90 115.31 121.03 3kzp h LEU 64 Ca 0.03 -0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.69 3kzp h LEU 64 Cb 0.98 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.68 3kzp h LEU 64 CO 0.09 0.88 0.31 0.44 -0.34 0.00 0.00 178.44 179.82 3kzp h ASP 65 N 1.05 0.36 0.06 1.25 3.32 -0.96 -2.10 116.42 119.39 3kzp h ASP 65 Ca 0.25 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3kzp h ASP 65 Cb 0.18 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3kzp h ASP 65 CO -0.02 0.20 -0.06 0.58 -1.72 0.00 0.00 179.24 178.21 3kzp h VAL 66 N 0.51 0.86 -0.87 -1.35 2.07 -1.03 -1.96 116.25 114.48 3kzp h VAL 66 Ca 0.35 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.99 3kzp h VAL 66 Cb 0.42 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 30.97 3kzp h VAL 66 CO -0.30 0.00 0.49 -0.07 0.02 0.00 0.00 177.57 177.71 3kzp h LEU 67 N -0.13 0.67 -0.62 2.57 3.38 -0.76 -1.33 115.31 119.09 3kzp h LEU 67 Ca 0.00 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 3kzp h LEU 67 Cb 0.13 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3kzp h LEU 67 CO -0.02 0.34 -0.13 0.11 0.09 0.00 0.00 178.44 178.83 3kzp h LYS 68 N 0.76 0.96 -0.76 1.13 1.57 -1.23 -2.94 116.57 116.06 3kzp h LYS 68 Ca 0.45 -0.36 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3kzp h LYS 68 Cb 0.52 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 3kzp h LYS 68 CO -0.30 1.02 0.29 -0.22 -0.57 0.00 0.00 179.45 179.67 3kzp h LYS 69 N 0.85 1.15 -3.08 3.15 3.64 -0.54 -3.33 116.57 118.40 3kzp h LYS 69 Ca 0.13 -0.22 -0.64 0.00 -1.27 0.00 0.00 60.65 58.65 3kzp h LYS 69 Cb 0.68 -0.18 -0.41 0.00 -0.41 0.00 0.00 32.23 31.91 3kzp h LYS 69 CO 0.05 0.94 -0.47 0.66 -2.27 0.00 0.00 179.45 178.37 3kzp n TYR 70 N -4.30 3.48 0.75 1.91 4.01 -0.58 -4.96 117.16 117.47 3kzp n TYR 70 Ca 0.06 -4.27 0.12 0.00 -0.16 0.00 0.00 57.90 53.66 3kzp n TYR 70 Cb 0.19 -0.73 0.50 0.00 -0.31 0.00 0.00 39.34 38.99 3kzp n TYR 70 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3kzp n PRO 71 N 1.95 0.10 -0.14 -0.72 -0.04 -1.12 -3.60 135.00 131.43 3kzp n PRO 71 Ca 0.21 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.93 3kzp n PRO 71 Cb 0.36 -1.63 0.22 0.00 -0.04 0.00 0.00 33.50 32.42 3kzp n PRO 71 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kzp n ASN 72 N -1.79 3.10 -4.46 3.54 5.03 -1.26 -5.01 115.26 114.41 3kzp n ASN 72 Ca 0.06 -1.95 -0.24 0.00 0.87 0.00 0.00 54.58 53.31 3kzp n ASN 72 Cb 0.33 -0.18 -0.10 0.00 -1.02 0.00 0.00 39.78 38.80 3kzp n ASN 72 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3kzp s ASP 73 N -1.60 3.55 0.11 6.41 1.01 -1.24 -5.12 116.67 119.79 3kzp s ASP 73 Ca 0.36 -1.00 -0.25 0.00 0.71 0.00 0.00 52.55 52.37 3kzp s ASP 73 Cb 0.22 -0.29 -0.07 0.00 1.01 0.00 0.00 42.92 43.79 3kzp s ASP 73 CO 0.31 0.05 0.76 -0.60 0.21 0.00 0.00 175.17 175.90 3kzp s ARG 74 N -3.37 4.51 -0.08 8.23 3.52 -1.26 -4.93 118.95 125.57 3kzp s ARG 74 Ca 0.28 1.09 0.04 0.00 -0.13 0.00 0.00 55.73 57.01 3kzp s ARG 74 Cb -0.05 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 30.02 3kzp s ARG 74 CO 0.14 0.45 -0.23 -0.06 -0.81 0.00 0.00 175.30 174.80 3kzp s PHE 75 N -0.67 2.55 -0.19 5.12 0.08 -0.70 -1.05 117.98 123.13 3kzp s PHE 75 Ca 0.36 -0.82 -0.09 0.00 0.12 0.00 0.00 56.93 56.50 3kzp s PHE 75 Cb -0.22 -1.68 -0.04 0.00 -0.57 0.00 0.00 43.02 40.51 3kzp s PHE 75 CO 0.24 -0.28 0.09 0.00 -0.10 0.00 0.00 175.22 175.17 3kzp s ALA 76 N 0.09 3.53 0.14 5.36 0.00 0.21 -0.95 121.76 130.14 3kzp s ALA 76 Ca -0.10 -0.72 0.11 0.00 0.00 0.00 0.00 51.96 51.24 3kzp s ALA 76 Cb -0.16 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 3kzp s ALA 76 CO 0.06 0.16 -0.27 0.96 0.00 0.00 0.00 175.76 176.68 3kzp s ILE 77 N 0.38 2.27 -0.17 0.00 -4.36 -0.36 -1.07 121.20 117.88 3kzp s ILE 77 Ca 0.05 -1.79 -0.08 0.00 -0.26 0.00 0.00 60.65 58.58 3kzp s ILE 77 Cb -0.12 -2.01 -0.04 0.00 1.25 0.00 0.00 42.46 41.54 3kzp s ILE 77 CO -0.01 0.07 0.09 0.20 0.24 0.00 0.00 174.94 175.53 3kzp s ASN 78 N -2.12 5.85 -0.08 4.36 0.01 -1.26 -0.63 114.94 121.07 3kzp s ASN 78 Ca 0.15 0.17 0.02 0.00 -0.71 0.00 0.00 52.86 52.48 3kzp s ASN 78 Cb -0.10 -1.98 0.02 0.00 0.41 0.00 0.00 41.25 39.60 3kzp s ASN 78 CO 0.06 0.21 -0.11 -0.63 -1.51 0.00 0.00 177.10 175.12 3kzp s ILE 79 N 0.14 1.12 0.30 0.60 1.01 -0.46 -4.93 121.20 118.98 3kzp s ILE 79 Ca 0.06 -0.45 -0.28 0.00 0.00 0.00 0.00 60.65 59.99 3kzp s ILE 79 Cb -0.12 -1.05 -0.09 0.00 0.01 0.00 0.00 42.46 41.21 3kzp s ILE 79 CO 0.00 0.36 1.00 0.00 0.00 0.00 0.00 174.94 176.30 3kzp s ALA 80 N 0.88 3.28 0.53 9.38 0.00 -1.26 -1.94 121.76 132.62 3kzp s ALA 80 Ca -0.10 0.67 0.20 0.00 0.00 0.00 0.00 51.96 52.73 3kzp s ALA 80 Cb -0.15 -3.24 1.34 0.00 0.00 0.00 0.00 23.12 21.07 3kzp s ALA 80 CO 0.01 0.05 2.10 -1.35 0.00 0.00 0.00 175.76 176.57 3kzp h PRO 81 N 3.54 0.00 0.00 0.00 0.11 -1.83 -1.37 132.00 132.45 3kzp h PRO 81 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kzp h PRO 81 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kzp h PRO 81 CO 0.66 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.41 3kzp h GLN 82 N 0.00 0.00 0.00 1.05 7.50 -1.91 -1.77 115.11 119.98 3kzp h GLN 82 Ca 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.23 3kzp h GLN 82 Cb 0.38 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.91 3kzp h GLN 82 CO -0.00 0.00 -0.04 1.96 -1.50 0.00 0.00 178.83 179.25 3kzp h GLN 83 N 0.00 0.00 0.00 1.46 4.20 -1.63 -2.74 115.11 116.39 3kzp h GLN 83 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kzp h GLN 83 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3kzp h GLN 83 CO 0.00 0.04 0.00 1.28 -0.67 0.00 0.00 178.83 179.48 3kzp n LEU 84 N -3.19 0.57 0.00 1.46 4.77 -0.67 -2.29 117.00 117.66 3kzp n LEU 84 Ca -0.00 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 3kzp n LEU 84 Cb 0.28 -0.55 0.56 0.00 -2.33 0.00 0.00 43.42 41.38 3kzp n LEU 84 CO 0.27 -0.49 0.91 0.49 -1.33 0.00 0.00 177.39 177.24 3kzp n PHE 85 N -2.13 0.00 -3.65 -1.77 3.72 -1.03 -4.67 117.46 107.93 3kzp n PHE 85 Ca 0.03 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.06 3kzp n PHE 85 Cb 0.23 -0.46 -0.10 0.00 -0.94 0.00 0.00 39.48 38.21 3kzp n PHE 85 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3kzp s TYR 86 N -2.93 3.26 0.53 1.38 2.02 -0.97 -4.92 117.35 115.73 3kzp s TYR 86 Ca 0.14 0.14 0.21 0.00 -0.37 0.00 0.00 57.07 57.19 3kzp s TYR 86 Cb 0.17 -2.30 1.38 0.00 -0.40 0.00 0.00 41.96 40.81 3kzp s TYR 86 CO 0.45 -0.05 2.11 -0.84 -1.57 0.00 0.00 175.55 175.65 3kzp h ILE 87 N 5.19 0.84 -0.73 2.71 3.07 -1.86 -1.93 117.51 124.78 3kzp h ILE 87 Ca -0.37 0.00 0.12 0.00 1.55 0.00 0.00 64.86 66.16 3kzp h ILE 87 Cb 1.18 0.90 -0.05 0.00 -0.27 0.00 0.00 36.82 38.58 3kzp h ILE 87 CO 0.61 0.00 0.48 -0.33 -1.05 0.00 0.00 178.15 177.86 3kzp h GLU 88 N 0.00 0.53 -0.01 0.16 3.07 -1.94 -0.14 114.58 116.24 3kzp h GLU 88 Ca 0.09 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3kzp h GLU 88 Cb 0.36 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3kzp h GLU 88 CO -0.00 0.35 0.00 1.15 -1.40 0.00 0.00 179.01 179.11 3kzp h THR 89 N 0.54 1.18 -0.10 1.13 2.02 -1.60 -1.32 112.91 114.77 3kzp h THR 89 Ca 0.35 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 66.93 3kzp h THR 89 Cb 0.61 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 3kzp h THR 89 CO -0.12 0.14 -0.24 -0.07 0.37 0.00 0.00 175.52 175.60 3kzp h LEU 90 N -0.20 0.17 -0.60 2.58 -0.00 -1.55 -2.21 115.31 113.50 3kzp h LEU 90 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 3kzp h LEU 90 Cb 0.23 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 40.81 3kzp h LEU 90 CO 0.00 0.42 0.38 -0.74 -0.00 0.00 0.00 178.44 178.50 3kzp h HIS 91 N 0.16 0.78 0.00 1.13 2.76 -0.45 0.11 115.15 119.64 3kzp h HIS 91 Ca 0.03 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.15 3kzp h HIS 91 Cb 0.52 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 3kzp h HIS 91 CO 0.01 0.52 -0.27 0.11 -1.30 0.00 0.00 177.93 176.99 3kzp h TRP 92 N 0.82 0.00 -0.28 5.26 5.08 -1.09 -1.52 115.95 124.21 3kzp h TRP 92 Ca 0.22 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 60.07 3kzp h TRP 92 Cb -0.05 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.10 3kzp h TRP 92 CO -0.02 0.26 -0.32 -0.07 -1.28 0.00 0.00 178.44 177.00 3kzp h LEU 93 N 0.00 0.61 -0.52 0.11 3.38 -1.09 -2.16 115.31 115.65 3kzp h LEU 93 Ca -0.00 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 3kzp h LEU 93 Cb 1.20 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 3kzp h LEU 93 CO 0.03 0.90 0.13 -0.78 0.09 0.00 0.00 178.44 178.81 3kzp h ASP 94 N 0.50 0.78 0.30 -0.43 3.58 -0.80 -2.86 116.42 117.49 3kzp h ASP 94 Ca 0.06 -0.23 -0.07 0.00 0.42 0.00 0.00 57.03 57.22 3kzp h ASP 94 Cb 0.81 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 3kzp h ASP 94 CO 0.07 0.80 -0.31 0.11 -2.88 0.00 0.00 179.24 177.03 3kzp h LYS 95 N 0.72 0.01 -0.37 0.28 1.79 -1.00 -2.41 116.57 115.59 3kzp h LYS 95 Ca 0.16 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 3kzp h LYS 95 Cb 0.32 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 3kzp h LYS 95 CO 0.00 0.32 0.00 1.28 -1.08 0.00 0.00 179.45 179.97 3kzp n LEU 96 N -4.17 2.04 0.28 2.94 4.77 -0.84 -4.59 117.00 117.43 3kzp n LEU 96 Ca -0.02 -1.01 0.15 0.00 -0.03 0.00 0.00 56.01 55.11 3kzp n LEU 96 Cb 0.35 -0.25 0.83 0.00 -2.33 0.00 0.00 43.42 42.03 3kzp n LEU 96 CO 0.38 0.50 1.03 0.07 -1.33 0.00 0.00 177.39 178.05 3kzp h LYS 97 N 2.26 0.00 0.00 3.23 2.10 -1.20 -0.57 116.57 122.38 3kzp h LYS 97 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kzp h LYS 97 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 3kzp h LYS 97 CO 0.00 0.07 0.00 0.66 -2.00 0.00 0.00 179.45 178.18 3kzp h SER 98 N 0.00 0.00 -0.15 7.07 4.64 -1.84 -1.78 113.55 121.50 3kzp h SER 98 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kzp h SER 98 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3kzp h SER 98 CO 0.01 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.35 3kzp n GLU 99 N -2.76 1.54 0.22 4.77 -0.58 -0.23 -4.66 120.64 118.94 3kzp n GLU 99 Ca -0.01 -1.61 0.17 0.00 -0.42 0.00 0.00 57.16 55.29 3kzp n GLU 99 Cb 0.13 -1.29 0.84 0.00 -0.57 0.00 0.00 31.44 30.54 3kzp n GLU 99 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3kzp h SER 100 N 2.73 0.00 0.43 1.62 4.64 -1.33 -1.25 113.55 120.39 3kzp h SER 100 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kzp h SER 100 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3kzp h SER 100 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3kzp n HIS 101 N -3.82 0.00 -1.66 4.77 1.44 -1.26 -1.86 115.22 112.84 3kzp n HIS 101 Ca 0.01 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.78 3kzp n HIS 101 Cb 0.30 -0.46 0.13 0.00 0.12 0.00 0.00 29.99 30.07 3kzp n HIS 101 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 3kzp n ARG 102 N -1.46 0.99 -4.92 -1.40 1.85 -0.47 -5.00 116.66 106.24 3kzp n ARG 102 Ca 0.04 -2.53 -0.28 0.00 -1.00 0.00 0.00 57.85 54.08 3kzp n ARG 102 Cb 0.15 -1.14 -0.17 0.00 -1.05 0.00 0.00 32.46 30.26 3kzp n ARG 102 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3kzp s ILE 103 N -2.10 1.60 -0.21 8.89 1.01 -0.77 -1.72 121.20 127.89 3kzp s ILE 103 Ca 0.30 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 60.09 3kzp s ILE 103 Cb 0.29 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 3kzp s ILE 103 CO -0.05 0.46 0.10 -0.89 0.00 0.00 0.00 174.94 174.56 3kzp s THR 104 N 0.29 4.95 -0.36 2.92 2.01 -0.13 -2.18 115.64 123.14 3kzp s THR 104 Ca -0.12 0.03 -0.17 0.00 0.31 0.00 0.00 61.69 61.74 3kzp s THR 104 Cb -0.15 -3.27 -0.00 0.00 0.01 0.00 0.00 72.50 69.09 3kzp s THR 104 CO 0.05 0.41 0.46 -0.69 -0.69 0.00 0.00 174.62 174.16 3kzp s VAL 105 N 0.72 5.06 0.00 3.82 1.01 0.11 -1.22 120.40 129.90 3kzp s VAL 105 Ca 0.05 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.16 3kzp s VAL 105 Cb -0.13 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3kzp s VAL 105 CO 0.02 -0.23 0.00 -0.62 0.00 0.00 0.00 175.10 174.26 3kzp n GLU 106 N 5.64 2.61 -3.98 2.72 1.02 0.20 -0.54 120.64 128.31 3kzp n GLU 106 Ca -0.06 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.98 3kzp n GLU 106 Cb 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.84 3kzp n GLU 106 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3kzp s THR 108 N 1.57 0.05 -2.27 2.62 -4.23 -0.82 -1.36 115.64 111.20 3kzp s THR 108 Ca 0.00 -1.42 0.22 0.00 -1.18 0.00 0.00 61.69 59.31 3kzp s THR 108 Cb 0.00 -1.95 0.49 0.00 1.34 0.00 0.00 72.50 72.38 3kzp s THR 108 CO 0.00 -0.22 1.61 -1.84 -0.54 0.00 0.00 174.62 173.63 3kzp n GLU 109 N -0.25 1.62 -1.71 3.99 0.00 -1.26 -4.49 120.64 118.54 3kzp n GLU 109 Ca -0.06 -0.93 -0.38 0.00 0.00 0.00 0.00 57.16 55.79 3kzp n GLU 109 Cb 0.63 -1.40 0.05 0.00 0.00 0.00 0.00 31.44 30.72 3kzp n GLU 109 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3kzp n ASP 110 N 0.15 2.12 -3.86 -1.84 8.00 -1.26 -1.49 116.55 118.37 3kzp n ASP 110 Ca 0.16 0.93 -0.28 0.00 0.71 0.00 0.00 54.79 56.31 3kzp n ASP 110 Cb 0.30 -1.52 -0.12 0.00 -0.02 0.00 0.00 41.12 39.76 3kzp n ASP 110 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kzp s ILE 111 N -1.34 2.64 0.38 0.53 1.01 -1.26 -4.66 121.20 118.50 3kzp s ILE 111 Ca 0.73 -4.02 0.00 0.00 0.00 0.00 0.00 60.65 57.37 3kzp s ILE 111 Cb -0.42 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.27 3kzp s ILE 111 CO 0.48 -1.00 0.59 -0.36 0.00 0.00 0.00 174.94 174.66 3kzp s PHE 112 N -1.18 3.42 0.24 3.97 0.08 -1.26 -5.06 117.98 118.19 3kzp s PHE 112 Ca 0.24 0.33 -0.30 0.00 0.12 0.00 0.00 56.93 57.33 3kzp s PHE 112 Cb -0.07 -2.03 -0.09 0.00 -0.57 0.00 0.00 43.02 40.26 3kzp s PHE 112 CO -0.15 -0.03 1.33 -0.51 -0.10 0.00 0.00 175.22 175.76 3kzp s ASP 113 N -4.09 6.84 0.14 1.36 1.01 -1.26 -4.91 116.67 115.75 3kzp s ASP 113 Ca 0.43 2.51 -0.30 0.00 0.71 0.00 0.00 52.55 55.89 3kzp s ASP 113 Cb -0.10 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 41.14 3kzp s ASP 113 CO 0.37 -0.55 1.12 -0.69 0.21 0.00 0.00 175.17 175.63 3kzp s VAL 114 N -0.22 3.98 0.35 -1.27 1.01 -1.26 -4.90 120.40 118.08 3kzp s VAL 114 Ca 0.55 1.61 -0.26 0.00 0.00 0.00 0.00 61.98 63.88 3kzp s VAL 114 Cb -0.38 -4.03 -0.13 0.00 0.00 0.00 0.00 36.38 31.85 3kzp s VAL 114 CO 0.42 0.23 0.93 -2.65 0.00 0.00 0.00 175.10 174.03 3kzp n PRO 115 N 2.85 1.21 0.21 2.72 -0.02 -1.26 -4.73 135.00 135.98 3kzp n PRO 115 Ca 0.04 0.43 0.09 0.00 -2.02 0.00 0.00 63.50 62.04 3kzp n PRO 115 Cb 0.47 -1.84 0.62 0.00 -0.02 0.00 0.00 33.50 32.73 3kzp n PRO 115 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3kzp h GLY 116 N 1.64 0.05 2.00 -1.23 0.00 -1.91 -1.62 103.07 102.00 3kzp h GLY 116 Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3kzp h GLY 116 CO 0.58 0.02 0.00 -2.39 0.00 0.00 0.00 176.54 174.75 3kzp n HIS 117 N -4.52 0.33 0.29 5.60 1.44 -1.26 -2.09 115.22 115.01 3kzp n HIS 117 Ca -0.01 0.12 0.05 0.00 -2.01 0.00 0.00 57.72 55.87 3kzp n HIS 117 Cb 0.13 -0.69 0.07 0.00 0.12 0.00 0.00 29.99 29.62 3kzp n HIS 117 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kzp n LYS 118 N -1.79 1.05 0.24 -1.40 4.76 -0.62 -4.66 118.16 115.75 3kzp n LYS 118 Ca 0.04 -1.35 0.10 0.00 -2.87 0.00 0.00 58.31 54.24 3kzp n LYS 118 Cb 0.26 -1.22 0.63 0.00 -1.84 0.00 0.00 35.03 32.86 3kzp n LYS 118 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kzp h ARG 119 N 2.04 0.00 0.00 1.97 3.08 -1.34 -2.92 114.38 117.21 3kzp h ARG 119 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kzp h ARG 119 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 3kzp h ARG 119 CO 0.00 0.17 -0.01 1.12 -1.07 0.00 0.00 179.97 180.17 3kzp h HIS 120 N 0.00 0.00 -3.12 3.04 2.07 -1.83 -3.42 115.15 111.88 3kzp h HIS 120 Ca -0.00 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.99 3kzp h HIS 120 Cb 0.40 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.41 3kzp h HIS 120 CO 0.00 0.01 0.71 -0.51 -3.07 0.00 0.00 177.93 175.07 3kzp s LEU 121 N -7.42 4.38 0.98 6.12 1.43 -1.10 -5.02 118.68 118.06 3kzp s LEU 121 Ca -0.05 2.37 -0.11 0.00 -1.03 0.00 0.00 54.13 55.30 3kzp s LEU 121 Cb 0.15 -3.59 0.18 0.00 0.03 0.00 0.00 46.19 42.95 3kzp s LEU 121 CO 0.53 -0.62 1.09 0.54 0.23 0.00 0.00 176.35 178.12 3kzp s ASN 122 N 0.85 2.54 0.43 2.29 2.20 -1.26 -4.66 114.94 117.34 3kzp s ASN 122 Ca 0.62 1.69 0.10 0.00 -0.94 0.00 0.00 52.86 54.32 3kzp s ASN 122 Cb -0.37 -2.32 0.95 0.00 -2.00 0.00 0.00 41.25 37.50 3kzp s ASN 122 CO 0.33 -3.25 2.06 0.00 -2.94 0.00 0.00 177.10 173.30 3kzp h ALA 123 N -1.97 1.74 -0.27 3.54 0.00 -1.96 0.23 119.26 120.57 3kzp h ALA 123 Ca -0.52 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.17 3kzp h ALA 123 Cb 1.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3kzp h ALA 123 CO 0.50 0.22 -0.50 -0.91 0.00 0.00 0.00 179.25 178.56 3kzp h ASN 124 N 0.37 0.90 0.64 0.00 2.35 -2.00 -2.11 115.58 115.74 3kzp h ASN 124 Ca 0.10 -0.53 -0.14 0.00 -0.55 0.00 0.00 56.30 55.17 3kzp h ASN 124 Cb 0.02 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 3kzp h ASN 124 CO -0.02 1.27 -0.67 0.44 -1.65 0.00 0.00 177.43 176.80 3kzp h ASP 125 N 0.57 0.04 -0.41 5.81 3.32 -1.42 -2.20 116.42 122.14 3kzp h ASP 125 Ca 0.01 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 3kzp h ASP 125 Cb 1.11 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 3kzp h ASP 125 CO 0.11 0.70 0.10 0.11 -1.72 0.00 0.00 179.24 178.54 3kzp h LYS 126 N 0.02 0.65 -0.66 3.56 1.57 -0.62 -2.23 116.57 118.87 3kzp h LYS 126 Ca -0.01 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 3kzp h LYS 126 Cb 1.20 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 3kzp h LYS 126 CO 0.09 0.67 0.25 -0.91 -0.57 0.00 0.00 179.45 178.98 3kzp h ASN 127 N 0.52 0.90 -0.56 0.86 2.35 -1.14 -1.96 115.58 116.56 3kzp h ASN 127 Ca 0.13 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 3kzp h ASN 127 Cb 0.31 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3kzp h ASN 127 CO 0.00 0.81 0.04 0.00 -1.65 0.00 0.00 177.43 176.64 3kzp h ALA 128 N 1.31 0.75 -0.59 -0.83 0.00 -1.40 -1.13 119.26 117.37 3kzp h ALA 128 Ca 0.22 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3kzp h ALA 128 Cb 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3kzp h ALA 128 CO -0.02 0.54 0.12 0.35 0.00 0.00 0.00 179.25 180.25 3kzp h PHE 129 N 0.85 1.01 -0.38 0.00 3.57 -1.13 0.25 116.94 121.10 3kzp h PHE 129 Ca 0.16 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3kzp h PHE 129 Cb 0.48 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3kzp h PHE 129 CO 0.04 0.87 0.13 0.82 -2.23 0.00 0.00 178.31 177.93 3kzp h ILE 130 N 0.86 1.21 -0.84 1.41 1.08 -1.29 -2.72 117.51 117.22 3kzp h ILE 130 Ca 0.18 -0.67 0.02 0.00 -0.39 0.00 0.00 64.86 64.00 3kzp h ILE 130 Cb 0.38 0.93 -0.05 0.00 -3.07 0.00 0.00 36.82 35.02 3kzp h ILE 130 CO 0.01 0.24 0.55 0.25 -0.69 0.00 0.00 178.15 178.50 3kzp h LEU 131 N 0.47 0.94 -1.06 1.44 5.85 -0.82 -0.38 115.31 121.74 3kzp h LEU 131 Ca 0.12 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3kzp h LEU 131 Cb 0.24 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3kzp h LEU 131 CO -0.01 0.66 0.63 -1.13 -0.34 0.00 0.00 178.44 178.26 3kzp h ASN 132 N 1.10 1.07 -0.07 1.25 -0.73 -0.90 -0.25 115.58 117.06 3kzp h ASN 132 Ca 0.32 -0.02 -0.15 0.00 1.87 0.00 0.00 56.30 58.32 3kzp h ASN 132 Cb -0.07 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.25 3kzp h ASN 132 CO -0.09 0.75 -0.48 0.11 -0.37 0.00 0.00 177.43 177.36 3kzp h LYS 133 N 1.25 0.62 -0.58 6.67 1.79 -1.07 -2.26 116.57 122.99 3kzp h LYS 133 Ca 0.37 -0.36 -0.04 0.00 -2.18 0.00 0.00 60.65 58.44 3kzp h LYS 133 Cb -0.06 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.59 3kzp h LYS 133 CO -0.10 0.96 0.20 0.82 -1.08 0.00 0.00 179.45 180.26 3kzp h ILE 134 N 0.50 1.23 -0.69 1.86 2.04 -0.61 -0.75 117.51 121.09 3kzp h ILE 134 Ca 0.03 -0.77 0.13 0.00 1.00 0.00 0.00 64.86 65.25 3kzp h ILE 134 Cb 1.02 0.64 -0.09 0.00 -0.74 0.00 0.00 36.82 37.65 3kzp h ILE 134 CO 0.09 0.29 0.23 0.50 0.00 0.00 0.00 178.15 179.27 3kzp h LYS 135 N 0.81 0.36 -0.14 2.37 3.64 -0.91 -0.84 116.57 121.86 3kzp h LYS 135 Ca 0.19 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3kzp h LYS 135 Cb 0.25 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3kzp h LYS 135 CO -0.01 0.24 0.08 0.28 -2.27 0.00 0.00 179.45 177.77 3kzp h VAL 136 N 0.37 1.08 -0.84 2.00 2.07 -0.73 0.23 116.25 120.44 3kzp h VAL 136 Ca 0.37 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 3kzp h VAL 136 Cb 0.55 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 3kzp h VAL 136 CO -0.40 0.07 0.42 0.40 0.02 0.00 0.00 177.57 178.08 3kzp h ILE 137 N 0.14 1.26 -0.52 4.57 2.04 -0.71 -0.67 117.51 123.62 3kzp h ILE 137 Ca 0.05 -0.70 -0.07 0.00 1.00 0.00 0.00 64.86 65.14 3kzp h ILE 137 Cb 0.05 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 3kzp h ILE 137 CO -0.01 0.30 0.04 -0.74 0.00 0.00 0.00 178.15 177.74 3kzp h HIS 138 N 1.19 0.90 0.00 1.37 2.76 -0.86 -2.50 115.15 118.01 3kzp h HIS 138 Ca 0.29 -0.12 -0.04 0.00 -2.20 0.00 0.00 60.37 58.30 3kzp h HIS 138 Cb 0.10 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 3kzp h HIS 138 CO 0.01 0.81 -0.17 0.78 -1.30 0.00 0.00 177.93 178.05 3kzp h GLY 139 N 0.99 0.00 0.97 5.26 0.00 0.90 0.22 103.07 111.41 3kzp h GLY 139 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3kzp h GLY 139 CO 0.02 0.00 -0.01 1.04 0.00 0.00 0.00 176.54 177.58 3kzp n LEU 140 N -4.04 0.20 0.00 3.11 4.77 -0.55 -4.91 117.00 115.57 3kzp n LEU 140 Ca -0.02 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3kzp n LEU 140 Cb 0.25 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3kzp n LEU 140 CO 0.34 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3kzp n GLY 141 N 1.11 0.75 3.76 -0.72 0.00 0.07 -4.78 105.19 105.38 3kzp n GLY 141 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3kzp n GLY 141 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kzp s TYR 142 N -2.46 2.72 0.24 1.61 2.02 -1.12 -4.15 117.35 116.22 3kzp s TYR 142 Ca 0.00 1.43 -0.30 0.00 -0.37 0.00 0.00 57.07 57.83 3kzp s TYR 142 Cb 0.00 -3.63 -0.09 0.00 -0.40 0.00 0.00 41.96 37.84 3kzp s TYR 142 CO 0.00 -2.12 1.06 -1.01 -1.57 0.00 0.00 175.55 171.91 3kzp s HIS 143 N -1.34 3.69 -0.13 2.71 3.76 -0.93 -4.59 115.29 118.46 3kzp s HIS 143 Ca 0.61 1.73 0.03 0.00 -0.15 0.00 0.00 55.06 57.28 3kzp s HIS 143 Cb -0.36 -3.20 0.01 0.00 1.11 0.00 0.00 32.58 30.14 3kzp s HIS 143 CO 0.45 -0.29 -0.22 0.42 -0.85 0.00 0.00 174.74 174.26 3kzp s ILE 144 N -0.89 2.02 0.07 0.60 1.01 -1.26 0.04 121.20 122.77 3kzp s ILE 144 Ca 0.45 -0.96 0.07 0.00 0.00 0.00 0.00 60.65 60.21 3kzp s ILE 144 Cb -0.30 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 3kzp s ILE 144 CO 0.37 0.54 -0.13 0.00 0.00 0.00 0.00 174.94 175.72 3kzp s ALA 145 N 0.76 2.81 -0.28 9.38 0.00 0.29 -1.22 121.76 133.51 3kzp s ALA 145 Ca -0.09 -1.20 -0.14 0.00 0.00 0.00 0.00 51.96 50.54 3kzp s ALA 145 Cb -0.16 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 3kzp s ALA 145 CO -0.00 0.61 0.31 0.42 0.00 0.00 0.00 175.76 177.09 3kzp s ILE 146 N -1.07 5.22 0.33 0.00 -1.09 -0.64 -4.19 121.20 119.76 3kzp s ILE 146 Ca 0.18 0.38 -0.14 0.00 -2.23 0.00 0.00 60.65 58.83 3kzp s ILE 146 Cb -0.11 -3.65 -0.09 0.00 -1.58 0.00 0.00 42.46 37.03 3kzp s ILE 146 CO 0.09 0.17 0.74 -0.62 -1.23 0.00 0.00 174.94 174.09 3kzp s ASP 147 N 1.69 6.75 -1.20 3.58 2.15 -1.26 -1.29 116.67 127.08 3kzp s ASP 147 Ca 0.12 1.26 -0.24 0.00 0.43 0.00 0.00 52.55 54.12 3kzp s ASP 147 Cb -0.16 -2.37 0.01 0.00 -0.30 0.00 0.00 42.92 40.11 3kzp s ASP 147 CO 0.10 -0.22 0.69 0.47 -0.17 0.00 0.00 175.17 176.04 3kzp n ASP 148 N -0.46 -4.24 -4.76 -0.34 8.00 -1.02 -4.39 116.55 109.35 3kzp n ASP 148 Ca 0.03 -1.14 -0.37 0.00 0.71 0.00 0.00 54.79 54.02 3kzp n ASP 148 Cb 0.53 -2.62 0.01 0.00 -0.02 0.00 0.00 41.12 39.02 3kzp n ASP 148 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3kzp s VAL 149 N -3.56 2.74 -1.60 2.53 -7.23 -0.47 -1.83 120.40 110.98 3kzp s VAL 149 Ca 0.43 0.53 0.00 0.00 -1.81 0.00 0.00 61.98 61.13 3kzp s VAL 149 Cb -0.19 -3.26 0.00 0.00 0.56 0.00 0.00 36.38 33.49 3kzp s VAL 149 CO 0.91 -0.03 0.00 -1.20 -0.31 0.00 0.00 175.10 174.47 3kzp n SER 150 N -0.88 -4.82 -4.41 4.85 7.64 0.17 -4.69 113.62 111.48 3kzp n SER 150 Ca 0.10 0.36 -0.25 0.00 1.01 0.00 0.00 58.87 60.08 3kzp n SER 150 Cb 0.48 -3.68 -0.11 0.00 -1.01 0.00 0.00 64.21 59.88 3kzp n SER 150 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kzp n GLY 152 N 0.12 2.96 0.73 0.00 0.00 -1.26 -0.94 105.19 106.79 3kzp n GLY 152 Ca -0.11 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.87 3kzp n GLY 152 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3kzp n LEU 153 N 0.00 2.19 -3.14 0.99 -0.00 -0.56 -4.58 117.00 111.90 3kzp n LEU 153 Ca 0.00 -0.92 -0.35 0.00 -0.00 0.00 0.00 56.01 54.74 3kzp n LEU 153 Cb 0.00 -0.14 -0.04 0.00 -0.00 0.00 0.00 43.42 43.24 3kzp n LEU 153 CO 0.00 0.46 2.69 0.59 -0.00 0.00 0.00 177.39 181.13 3kzp n ASN 154 N 0.67 7.91 -4.91 1.45 3.02 -0.12 -4.68 115.26 118.61 3kzp n ASN 154 Ca 0.17 -2.81 -0.28 0.00 -0.03 0.00 0.00 54.58 51.62 3kzp n ASN 154 Cb 0.41 -1.45 0.09 0.00 -0.61 0.00 0.00 39.78 38.22 3kzp n ASN 154 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kzp s SER 155 N 1.37 4.58 0.24 6.41 1.04 -1.26 -0.66 113.70 125.42 3kzp s SER 155 Ca 0.63 0.72 -0.06 0.00 0.48 0.00 0.00 55.95 57.72 3kzp s SER 155 Cb 0.22 -1.25 0.26 0.00 0.10 0.00 0.00 66.02 65.35 3kzp s SER 155 CO -0.08 -1.84 1.91 0.25 0.98 0.00 0.00 173.24 174.46 3kzp h LEU 156 N -0.96 1.06 -0.79 2.42 5.85 -1.99 -1.81 115.31 119.09 3kzp h LEU 156 Ca -0.46 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.35 3kzp h LEU 156 Cb 1.33 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 42.02 3kzp h LEU 156 CO 0.65 0.75 0.42 -0.08 -0.34 0.00 0.00 178.44 179.84 3kzp h GLU 157 N 1.25 0.66 -0.35 1.25 4.81 -1.95 -2.57 114.58 117.67 3kzp h GLU 157 Ca 0.36 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.49 3kzp h GLU 157 Cb -0.09 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 3kzp h GLU 157 CO -0.09 0.44 0.01 -0.09 -0.73 0.00 0.00 179.01 178.54 3kzp h ARG 158 N 0.68 0.62 -1.90 1.92 2.43 -1.63 -1.41 114.38 115.09 3kzp h ARG 158 Ca 0.39 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3kzp h ARG 158 Cb 0.43 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3kzp h ARG 158 CO -0.28 0.73 0.00 0.28 -1.51 0.00 0.00 179.97 179.19 3kzp n VAL 159 N -4.51 0.10 0.00 0.20 0.31 -0.76 -0.84 118.33 112.83 3kzp n VAL 159 Ca -0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3kzp n VAL 159 Cb 0.27 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 3kzp n VAL 159 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kzp n SER 161 N 0.95 0.00 0.01 4.52 3.41 -0.53 -1.85 113.62 120.14 3kzp n SER 161 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 3kzp n SER 161 Cb 0.05 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.45 3kzp n SER 161 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3kzp n TYR 162 N 0.00 0.10 -0.34 7.33 4.02 -0.02 -4.60 117.16 123.65 3kzp n TYR 162 Ca 0.00 0.03 0.15 0.00 -0.01 0.00 0.00 57.90 58.07 3kzp n TYR 162 Cb 0.00 -0.46 0.35 0.00 -0.02 0.00 0.00 39.34 39.21 3kzp n TYR 162 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3kzp h LEU 163 N 0.00 0.66 -2.06 7.72 5.85 -1.63 -0.99 115.31 124.86 3kzp h LEU 163 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3kzp h LEU 163 Cb 0.53 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 3kzp h LEU 163 CO 0.00 0.15 0.00 -0.65 -0.34 0.00 0.00 178.44 177.60 3kzp h PRO 164 N 0.62 0.00 -0.17 5.25 0.11 -1.90 -3.08 132.00 132.83 3kzp h PRO 164 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 3kzp h PRO 164 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kzp h PRO 164 CO -0.45 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.00 3kzp n TYR 165 N -4.45 0.19 -4.24 0.65 4.01 -0.38 -4.99 117.16 107.95 3kzp n TYR 165 Ca -0.03 -0.10 -0.24 0.00 -0.16 0.00 0.00 57.90 57.37 3kzp n TYR 165 Cb 0.09 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.05 3kzp n TYR 165 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 3kzp s ILE 166 N -1.74 3.67 0.00 -0.72 -4.36 -1.17 -4.42 121.20 112.47 3kzp s ILE 166 Ca 0.31 -1.67 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 3kzp s ILE 166 Cb 0.20 -2.92 0.00 0.00 1.25 0.00 0.00 42.46 40.99 3kzp s ILE 166 CO 0.30 -0.27 0.16 0.00 0.24 0.00 0.00 174.94 175.36 3kzp n ILE 167 N -0.65 0.00 -3.71 8.37 0.13 -0.35 -4.94 119.36 118.21 3kzp n ILE 167 Ca -0.08 -0.36 -0.12 0.00 -1.10 0.00 0.00 62.75 61.09 3kzp n ILE 167 Cb 0.57 1.12 -0.10 0.00 -0.84 0.00 0.00 39.64 40.39 3kzp n ILE 167 CO 0.00 0.00 0.00 -0.70 2.80 0.00 0.00 176.55 178.65 3kzp s GLU 168 N -0.41 0.49 -0.02 9.51 2.12 -1.21 -0.20 118.70 128.99 3kzp s GLU 168 Ca 0.00 0.68 0.05 0.00 0.36 0.00 0.00 54.97 56.06 3kzp s GLU 168 Cb 0.00 0.17 -0.01 0.00 0.26 0.00 0.00 34.13 34.55 3kzp s GLU 168 CO 0.00 -0.09 -0.16 0.96 -0.54 0.00 0.00 175.26 175.43 3kzp s ILE 169 N 0.60 1.29 -0.05 -3.70 -4.36 -0.18 -1.62 121.20 113.19 3kzp s ILE 169 Ca -0.03 -0.69 0.06 0.00 -0.26 0.00 0.00 60.65 59.73 3kzp s ILE 169 Cb -0.05 -1.09 -0.01 0.00 1.25 0.00 0.00 42.46 42.57 3kzp s ILE 169 CO -0.04 0.37 -0.24 -0.54 0.24 0.00 0.00 174.94 174.73 3kzp s LYS 170 N -0.29 2.34 -0.10 0.37 1.02 -0.41 -1.53 119.74 121.14 3kzp s LYS 170 Ca 0.04 -0.86 0.03 0.00 0.02 0.00 0.00 55.97 55.20 3kzp s LYS 170 Cb -0.07 -2.03 0.01 0.00 -0.52 0.00 0.00 37.83 35.22 3kzp s LYS 170 CO -0.00 0.39 -0.18 0.12 -0.92 0.00 0.00 175.35 174.75 3kzp s PHE 171 N -0.20 2.18 -0.32 3.18 5.36 0.45 -1.37 117.98 127.26 3kzp s PHE 171 Ca -0.01 -0.98 -0.05 0.00 -0.96 0.00 0.00 56.93 54.93 3kzp s PHE 171 Cb -0.13 -1.52 0.04 0.00 -0.34 0.00 0.00 43.02 41.08 3kzp s PHE 171 CO 0.03 -0.45 0.07 0.45 -1.46 0.00 0.00 175.22 173.85 3kzp s SER 172 N 0.72 5.16 0.47 6.13 0.15 -1.26 -1.02 113.70 124.04 3kzp s SER 172 Ca -0.12 -1.18 0.12 0.00 0.70 0.00 0.00 55.95 55.48 3kzp s SER 172 Cb -0.16 -1.81 1.08 0.00 -1.71 0.00 0.00 66.02 63.41 3kzp s SER 172 CO 0.02 -0.30 2.11 -0.07 1.20 0.00 0.00 173.24 176.20 3kzp h LEU 173 N 8.14 0.22 -1.69 3.45 3.38 -1.61 -2.64 115.31 124.57 3kzp h LEU 173 Ca -0.23 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 57.86 3kzp h LEU 173 Cb 1.08 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 3kzp h LEU 173 CO 0.58 0.16 0.43 0.40 0.09 0.00 0.00 178.44 180.09 3kzp h ILE 174 N 0.27 0.83 0.00 1.22 2.04 -1.81 -0.44 117.51 119.62 3kzp h ILE 174 Ca 0.07 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3kzp h ILE 174 Cb -0.02 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3kzp h ILE 174 CO -0.02 0.06 0.00 1.41 0.00 0.00 0.00 178.15 179.60 3kzp n HIS 175 N -4.46 0.00 -2.59 1.37 8.25 -0.99 -4.07 115.22 112.74 3kzp n HIS 175 Ca 0.11 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.49 3kzp n HIS 175 Cb 0.46 -0.28 0.04 0.00 1.12 0.00 0.00 29.99 31.34 3kzp n HIS 175 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3kzp n PHE 176 N -1.28 1.73 -0.31 4.41 3.72 -0.17 -4.91 117.46 120.64 3kzp n PHE 176 Ca 0.12 -2.20 0.16 0.00 -0.05 0.00 0.00 57.45 55.48 3kzp n PHE 176 Cb 0.20 -0.27 0.34 0.00 -0.94 0.00 0.00 39.48 38.82 3kzp n PHE 176 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3kzp h LYS 177 N 2.50 0.30 -0.12 -1.08 1.57 -1.70 -2.79 116.57 115.24 3kzp h LYS 177 Ca 0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kzp h LYS 177 Cb 1.34 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3kzp h LYS 177 CO 0.37 0.20 0.00 0.09 -0.57 0.00 0.00 179.45 179.54 3kzp n ASN 178 N -5.12 2.32 -4.64 0.86 3.02 -1.26 -4.80 115.26 105.64 3kzp n ASN 178 Ca 0.24 -1.78 -0.42 0.00 -0.03 0.00 0.00 54.58 52.60 3kzp n ASN 178 Cb 0.75 -0.07 -0.05 0.00 -0.61 0.00 0.00 39.78 39.81 3kzp n ASN 178 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kzp s ILE 179 N -1.87 4.87 0.03 2.41 1.01 -1.06 -5.02 121.20 121.57 3kzp s ILE 179 Ca 0.34 1.48 -0.36 0.00 0.00 0.00 0.00 60.65 62.11 3kzp s ILE 179 Cb 0.20 -4.08 -0.15 0.00 0.01 0.00 0.00 42.46 38.44 3kzp s ILE 179 CO 0.31 -0.05 1.55 -2.65 0.00 0.00 0.00 174.94 174.09 3kzp n PRO 180 N 5.95 1.60 -0.28 2.79 -0.02 -1.26 -4.64 135.00 139.13 3kzp n PRO 180 Ca 0.04 0.58 0.18 0.00 -2.02 0.00 0.00 63.50 62.28 3kzp n PRO 180 Cb 0.48 -2.29 0.47 0.00 -0.02 0.00 0.00 33.50 32.13 3kzp n PRO 180 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3kzp h LEU 181 N 6.03 0.50 -1.53 2.45 5.85 -1.94 0.31 115.31 126.99 3kzp h LEU 181 Ca -0.47 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.26 3kzp h LEU 181 Cb 1.30 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3kzp h LEU 181 CO 0.86 0.19 -0.24 1.05 -0.34 0.00 0.00 178.44 179.96 3kzp h GLU 182 N 0.49 0.00 0.07 1.25 4.11 -1.99 0.42 114.58 118.93 3kzp h GLU 182 Ca 0.51 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.81 3kzp h GLU 182 Cb 1.15 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.41 3kzp h GLU 182 CO -0.24 0.24 -0.54 -0.44 0.07 0.00 0.00 179.01 178.10 3kzp h ASP 183 N 0.00 0.35 -0.66 3.06 3.32 -0.82 -3.34 116.42 118.32 3kzp h ASP 183 Ca -0.00 -0.92 0.02 0.00 0.02 0.00 0.00 57.03 56.15 3kzp h ASP 183 Cb 0.51 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 3kzp h ASP 183 CO 0.03 1.23 0.44 0.25 -1.72 0.00 0.00 179.24 179.47 3kzp h LEU 184 N -0.49 0.71 -1.69 1.55 5.85 -0.52 -2.59 115.31 118.13 3kzp h LEU 184 Ca -0.09 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.67 3kzp h LEU 184 Cb 1.38 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 3kzp h LEU 184 CO 0.10 0.50 0.30 -0.07 -0.34 0.00 0.00 178.44 178.94 3kzp h LEU 185 N 0.83 0.33 -0.92 2.25 3.38 -0.30 -1.00 115.31 119.89 3kzp h LEU 185 Ca 0.25 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.13 3kzp h LEU 185 Cb -0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3kzp h LEU 185 CO -0.07 0.22 -0.18 -0.07 0.09 0.00 0.00 178.44 178.43 3kzp h LEU 186 N 0.38 0.58 -0.29 1.67 3.38 -1.60 0.19 115.31 119.63 3kzp h LEU 186 Ca 0.20 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3kzp h LEU 186 Cb 0.29 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3kzp h LEU 186 CO -0.05 0.77 -0.19 -0.26 0.09 0.00 0.00 178.44 178.80 3kzp h PHE 187 N 0.53 0.74 -0.27 1.13 0.04 -1.35 -2.10 116.94 115.66 3kzp h PHE 187 Ca 0.09 -0.20 0.02 0.00 2.80 0.00 0.00 57.97 60.67 3kzp h PHE 187 Cb 0.61 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 3kzp h PHE 187 CO 0.02 0.90 0.12 0.82 -0.60 0.00 0.00 178.31 179.58 3kzp h ILE 188 N 0.37 0.98 -0.90 -0.55 2.04 -0.91 -1.95 117.51 116.59 3kzp h ILE 188 Ca 0.06 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 65.89 3kzp h ILE 188 Cb 0.73 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 3kzp h ILE 188 CO 0.05 0.05 0.56 0.50 0.00 0.00 0.00 178.15 179.31 3kzp h LYS 189 N 0.27 0.99 -0.39 2.37 3.64 -0.64 -0.01 116.57 122.79 3kzp h LYS 189 Ca 0.11 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3kzp h LYS 189 Cb 0.05 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 3kzp h LYS 189 CO -0.09 0.66 0.25 0.00 -2.27 0.00 0.00 179.45 177.99 3kzp h ALA 190 N 1.42 0.49 -0.33 5.00 0.00 -0.94 -1.12 119.26 123.78 3kzp h ALA 190 Ca 0.39 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.16 3kzp h ALA 190 Cb 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kzp h ALA 190 CO -0.18 -0.07 -0.31 -1.49 0.00 0.00 0.00 179.25 177.20 3kzp h TRP 191 N 0.50 0.83 -0.74 0.00 4.06 -1.15 -1.09 115.95 118.37 3kzp h TRP 191 Ca 0.15 -0.21 -0.01 0.00 2.06 0.00 0.00 58.89 60.87 3kzp h TRP 191 Cb -0.03 -0.19 -0.04 0.00 -1.00 0.00 0.00 29.16 27.91 3kzp h TRP 191 CO -0.06 0.94 0.42 0.00 -3.56 0.00 0.00 178.44 176.17 3kzp h ALA 192 N 1.05 0.95 -0.17 1.49 0.00 -0.69 -0.40 119.26 121.48 3kzp h ALA 192 Ca 0.07 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3kzp h ALA 192 Cb 0.82 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kzp h ALA 192 CO 0.07 0.45 -0.37 -0.97 0.00 0.00 0.00 179.25 178.43 3kzp h ASN 193 N 1.02 0.63 -0.51 0.00 -1.24 -1.08 -2.39 115.58 112.01 3kzp h ASN 193 Ca 0.26 -0.56 0.09 0.00 0.71 0.00 0.00 56.30 56.81 3kzp h ASN 193 Cb 0.01 -0.18 -0.08 0.00 0.73 0.00 0.00 38.32 38.81 3kzp h ASN 193 CO -0.04 1.07 0.06 0.15 -1.29 0.00 0.00 177.43 177.37 3kzp h PHE 194 N 0.21 0.08 -0.10 0.67 3.57 -0.91 0.14 116.94 120.59 3kzp h PHE 194 Ca 0.00 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.57 3kzp h PHE 194 Cb 0.97 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 3kzp h PHE 194 CO 0.09 -0.06 -0.08 0.00 -2.23 0.00 0.00 178.31 176.03 3kzp h ALA 195 N 1.42 0.00 -0.20 2.41 0.00 -1.03 -1.42 119.26 120.45 3kzp h ALA 195 Ca 0.26 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3kzp h ALA 195 Cb 0.37 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3kzp h ALA 195 CO -0.37 -0.54 0.13 1.96 0.00 0.00 0.00 179.25 180.43 3kzp h GLN 196 N -0.09 0.27 -0.05 0.00 1.08 -0.83 0.12 115.11 115.61 3kzp h GLN 196 Ca 0.07 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.23 3kzp h GLN 196 Cb 0.20 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3kzp h GLN 196 CO -0.16 0.19 -0.05 0.87 -0.95 0.00 0.00 178.83 178.72 3kzp h LYS 197 N 0.27 0.07 -0.61 1.46 1.79 -0.80 -1.88 116.57 116.87 3kzp h LYS 197 Ca 0.07 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3kzp h LYS 197 Cb -0.02 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 3kzp h LYS 197 CO -0.02 0.13 0.00 0.09 -1.08 0.00 0.00 179.45 178.57 3kzp n ASN 198 N -4.43 4.24 -4.02 0.86 3.02 -0.55 -4.96 115.26 109.42 3kzp n ASN 198 Ca -0.02 -2.30 -0.29 0.00 -0.03 0.00 0.00 54.58 51.94 3kzp n ASN 198 Cb 0.16 -0.50 -0.01 0.00 -0.61 0.00 0.00 39.78 38.81 3kzp n ASN 198 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kzp n LYS 199 N 1.08 -3.70 -3.91 3.52 5.02 0.18 -4.98 118.16 115.37 3kzp n LYS 199 Ca 0.23 0.44 -0.29 0.00 -2.02 0.00 0.00 58.31 56.67 3kzp n LYS 199 Cb 0.75 -4.90 -0.04 0.00 -0.02 0.00 0.00 35.03 30.83 3kzp n LYS 199 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kzp s LEU 200 N -7.10 4.34 0.05 -0.35 1.43 0.15 -4.98 118.68 112.23 3kzp s LEU 200 Ca 0.34 0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 53.38 3kzp s LEU 200 Cb -0.18 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.03 3kzp s LEU 200 CO 0.89 0.11 1.14 -1.81 0.23 0.00 0.00 176.35 176.90 3kzp s ASP 201 N -2.85 7.16 -0.22 2.29 1.01 0.72 -4.45 116.67 120.32 3kzp s ASP 201 Ca 0.35 1.93 -0.08 0.00 0.71 0.00 0.00 52.55 55.47 3kzp s ASP 201 Cb -0.12 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 3kzp s ASP 201 CO 0.28 -0.41 0.08 0.12 0.21 0.00 0.00 175.17 175.45 3kzp s PHE 202 N 1.00 3.16 -0.14 4.23 5.36 -1.26 -1.01 117.98 129.32 3kzp s PHE 202 Ca 0.57 -0.17 -0.02 0.00 -0.96 0.00 0.00 56.93 56.35 3kzp s PHE 202 Cb -0.27 -2.18 -0.02 0.00 -0.34 0.00 0.00 43.02 40.20 3kzp s PHE 202 CO 0.29 -0.13 -0.09 0.08 -1.46 0.00 0.00 175.22 173.91 3kzp s VAL 203 N 1.11 3.43 -0.26 3.12 1.01 -0.58 -0.56 120.40 127.66 3kzp s VAL 203 Ca 0.04 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 3kzp s VAL 203 Cb -0.14 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.78 3kzp s VAL 203 CO 0.03 0.51 -0.00 -0.69 0.00 0.00 0.00 175.10 174.95 3kzp s VAL 204 N 0.31 3.42 0.35 2.92 1.01 -0.64 -0.41 120.40 127.36 3kzp s VAL 204 Ca -0.07 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.18 3kzp s VAL 204 Cb -0.15 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 3kzp s VAL 204 CO 0.04 0.22 0.52 -1.61 0.00 0.00 0.00 175.10 174.27 3kzp s GLU 205 N 1.43 3.32 0.00 2.72 2.02 -0.19 -1.11 118.70 126.89 3kzp s GLU 205 Ca 0.03 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.44 3kzp s GLU 205 Cb -0.16 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.35 3kzp s GLU 205 CO -0.02 0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.77 3kzp n GLY 206 N -1.75 0.50 3.63 -1.39 0.00 -1.04 -1.68 105.19 103.47 3kzp n GLY 206 Ca -0.04 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 3kzp n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kzp s ILE 207 N -2.00 4.63 0.19 -0.61 1.01 -0.89 -4.60 121.20 118.93 3kzp s ILE 207 Ca 0.00 1.55 0.11 0.00 0.00 0.00 0.00 60.65 62.30 3kzp s ILE 207 Cb 0.00 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 38.10 3kzp s ILE 207 CO 0.00 -0.37 1.52 -0.08 0.00 0.00 0.00 174.94 176.00 3kzp h GLU 208 N 8.06 0.00 -2.01 2.79 4.57 -1.95 -2.94 114.58 123.10 3kzp h GLU 208 Ca -0.22 0.00 0.24 0.00 -1.18 0.00 0.00 59.36 58.20 3kzp h GLU 208 Cb 1.07 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.57 3kzp h GLU 208 CO 0.97 0.70 0.62 0.95 -1.18 0.00 0.00 179.01 181.07 3kzp s THR 209 N -3.31 0.00 0.39 0.32 -4.23 -1.26 -4.80 115.64 102.75 3kzp s THR 209 Ca -0.00 -0.49 0.28 0.00 -1.18 0.00 0.00 61.69 60.30 3kzp s THR 209 Cb 0.11 -2.05 0.30 0.00 1.34 0.00 0.00 72.50 72.20 3kzp s THR 209 CO 0.77 0.00 2.06 0.07 -0.54 0.00 0.00 174.62 176.98 3kzp h LYS 210 N 2.00 0.00 -0.57 3.99 -0.00 -1.93 -2.99 116.57 117.07 3kzp h LYS 210 Ca -0.27 0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.35 3kzp h LYS 210 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.42 3kzp h LYS 210 CO 0.27 0.12 0.21 1.05 -0.00 0.00 0.00 179.45 181.10 3kzp h GLU 211 N 0.00 0.86 -1.66 0.07 -0.00 -2.01 -3.27 114.58 108.58 3kzp h GLU 211 Ca -0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 59.36 59.19 3kzp h GLU 211 Cb 0.36 -0.13 0.00 0.00 -0.00 0.00 0.00 28.75 28.97 3kzp h GLU 211 CO 0.02 0.76 0.00 2.41 -0.00 0.00 0.00 179.01 182.19 3kzp n THR 212 N -4.47 0.00 0.00 -1.06 -1.04 -1.13 -2.64 114.28 103.93 3kzp n THR 212 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 3kzp n THR 212 Cb 0.18 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 3kzp n THR 212 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3kzp n THR 214 N 0.99 0.00 0.09 12.58 -1.04 -1.23 -0.97 114.28 124.69 3kzp n THR 214 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 3kzp n THR 214 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 3kzp n THR 214 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3kzp h LEU 215 N 0.00 -1.25 -0.73 -4.42 5.85 -1.85 0.44 115.31 113.35 3kzp h LEU 215 Ca 0.00 0.15 0.13 0.00 0.84 0.00 0.00 57.88 58.99 3kzp h LEU 215 Cb 0.00 0.48 -0.09 0.00 0.37 0.00 0.00 40.66 41.42 3kzp h LEU 215 CO 0.00 -0.47 0.31 -0.07 -0.34 0.00 0.00 178.44 177.87 3kzp h LEU 216 N -0.61 0.32 0.02 2.25 4.07 -1.35 -1.43 115.31 118.58 3kzp h LEU 216 Ca 0.03 0.09 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 3kzp h LEU 216 Cb 0.66 0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.46 3kzp h LEU 216 CO -0.28 0.15 -0.01 -0.33 -1.08 0.00 0.00 178.44 176.89 3kzp h GLU 217 N 0.48 -0.02 -0.17 1.13 3.07 -1.57 -1.22 114.58 116.29 3kzp h GLU 217 Ca 0.39 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.30 3kzp h GLU 217 Cb 0.54 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 3kzp h GLU 217 CO -0.36 0.28 0.26 0.66 -1.40 0.00 0.00 179.01 178.45 3kzp h SER 218 N -0.32 0.00 -0.88 1.42 4.64 0.49 -1.87 113.55 117.03 3kzp h SER 218 Ca -0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 3kzp h SER 218 Cb 0.31 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.08 3kzp h SER 218 CO 0.00 0.00 0.25 1.41 -0.87 0.00 0.00 176.83 177.62 3kzp n HIS 219 N -3.51 2.94 -0.96 4.77 8.25 -0.60 -4.93 115.22 121.19 3kzp n HIS 219 Ca 0.01 -2.62 0.00 0.00 -0.26 0.00 0.00 57.72 54.85 3kzp n HIS 219 Cb 0.37 -1.01 0.00 0.00 1.12 0.00 0.00 29.99 30.47 3kzp n HIS 219 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kzp n GLY 220 N -0.87 0.56 3.49 -1.41 0.00 -0.70 -4.71 105.19 101.54 3kzp n GLY 220 Ca 0.55 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.13 3kzp n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kzp s VAL 221 N -2.45 4.70 -0.13 1.61 1.01 -0.50 -4.80 120.40 119.84 3kzp s VAL 221 Ca 0.00 -2.04 -0.20 0.00 0.00 0.00 0.00 61.98 59.74 3kzp s VAL 221 Cb 0.00 -4.93 -0.25 0.00 0.00 0.00 0.00 36.38 31.20 3kzp s VAL 221 CO 0.00 -1.68 0.53 -1.28 0.00 0.00 0.00 175.10 172.68 3kzp h SER 222 N 7.97 0.21 -3.85 3.32 0.87 -1.86 -3.34 113.55 116.86 3kzp h SER 222 Ca 0.28 -0.80 -0.67 0.00 -1.23 0.00 0.00 61.79 59.37 3kzp h SER 222 Cb 0.93 -0.07 -0.37 0.00 -0.44 0.00 0.00 62.40 62.45 3kzp h SER 222 CO 1.25 1.45 -0.79 -0.63 -0.53 0.00 0.00 176.83 177.59 3kzp s ILE 223 N -2.39 2.26 0.14 2.23 1.01 -1.26 -5.04 121.20 118.14 3kzp s ILE 223 Ca -0.22 -1.65 -0.24 0.00 0.00 0.00 0.00 60.65 58.55 3kzp s ILE 223 Cb 0.03 -2.34 0.07 0.00 0.01 0.00 0.00 42.46 40.23 3kzp s ILE 223 CO 0.71 -0.06 0.69 0.72 0.00 0.00 0.00 174.94 176.99 3kzp s PHE 224 N 1.11 -0.45 -0.30 3.97 -0.12 -1.26 -4.62 117.98 116.31 3kzp s PHE 224 Ca -0.08 0.23 -0.12 0.00 -0.05 0.00 0.00 56.93 56.91 3kzp s PHE 224 Cb -0.20 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 3kzp s PHE 224 CO -0.05 -0.82 0.21 -1.14 -0.05 0.00 0.00 175.22 173.37 3kzp s GLN 225 N -3.62 3.82 -0.01 1.99 2.00 0.27 -5.00 119.66 119.11 3kzp s GLN 225 Ca 0.03 -0.41 -0.14 0.00 -2.00 0.00 0.00 55.36 52.85 3kzp s GLN 225 Cb -0.02 -3.70 -0.06 0.00 0.80 0.00 0.00 33.01 30.04 3kzp s GLN 225 CO -0.10 -0.25 0.38 0.20 -0.50 0.00 0.00 175.29 175.02 3kzp s GLY 226 N 1.75 2.45 -0.05 2.59 0.00 -1.26 -1.62 107.32 111.18 3kzp s GLY 226 Ca 0.07 -0.26 0.06 0.00 0.00 0.00 0.00 44.72 44.59 3kzp s GLY 226 CO 0.11 0.11 -0.23 -0.19 0.00 0.00 0.00 173.10 172.90 3kzp s TYR 227 N -1.04 2.46 0.72 1.90 2.02 -0.27 -2.29 117.35 120.85 3kzp s TYR 227 Ca 0.23 -0.55 -0.11 0.00 -0.37 0.00 0.00 57.07 56.27 3kzp s TYR 227 Cb -0.16 -1.58 0.02 0.00 -0.40 0.00 0.00 41.96 39.84 3kzp s TYR 227 CO 0.12 -0.10 1.07 -0.51 -1.57 0.00 0.00 175.55 174.56 3kzp s LEU 228 N -0.36 3.12 -0.11 -1.29 1.43 -0.50 -2.09 118.68 118.87 3kzp s LEU 228 Ca 0.02 1.72 -0.30 0.00 -1.03 0.00 0.00 54.13 54.55 3kzp s LEU 228 Cb -0.12 -4.51 -0.01 0.00 0.03 0.00 0.00 46.19 41.58 3kzp s LEU 228 CO 0.02 -1.67 1.03 -0.69 0.23 0.00 0.00 176.35 175.28 3kzp s VAL 229 N -2.94 4.71 0.08 -1.59 1.01 -1.11 -4.49 120.40 116.08 3kzp s VAL 229 Ca 0.60 1.99 -0.13 0.00 0.00 0.00 0.00 61.98 64.44 3kzp s VAL 229 Cb -0.16 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 31.96 3kzp s VAL 229 CO 0.54 -0.02 0.30 0.54 0.00 0.00 0.00 175.10 176.47 3kzp s ASN 230 N 1.15 -0.09 -0.03 3.32 4.22 -1.26 -5.02 114.94 117.24 3kzp s ASN 230 Ca 0.49 -0.38 -0.30 0.00 -2.14 0.00 0.00 52.86 50.53 3kzp s ASN 230 Cb -0.19 0.39 -0.03 0.00 1.28 0.00 0.00 41.25 42.70 3kzp s ASN 230 CO 0.17 -0.73 1.12 -0.54 -2.04 0.00 0.00 177.10 175.08 3kzp s LYS 231 N -3.39 4.42 0.90 3.55 1.02 -1.26 -5.02 119.74 119.98 3kzp s LYS 231 Ca 0.01 1.60 -0.11 0.00 0.02 0.00 0.00 55.97 57.48 3kzp s LYS 231 Cb 0.02 -3.49 0.14 0.00 -0.52 0.00 0.00 37.83 33.98 3kzp s LYS 231 CO -0.09 -0.30 1.10 -1.25 -0.92 0.00 0.00 175.35 173.89 3kzp s PRO 232 N 1.67 1.16 0.07 -1.68 0.04 -1.26 -4.86 135.00 130.13 3kzp s PRO 232 Ca 0.54 1.11 -0.09 0.00 0.04 0.00 0.00 61.00 62.60 3kzp s PRO 232 Cb -0.24 -1.78 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 3kzp s PRO 232 CO 0.24 -2.39 0.18 -0.59 0.04 0.00 0.00 177.00 174.48 3kzp s PHE 233 N -2.79 0.12 0.35 0.56 -0.12 -0.64 -4.95 117.98 110.50 3kzp s PHE 233 Ca 0.64 -0.47 -0.26 0.00 -0.05 0.00 0.00 56.93 56.79 3kzp s PHE 233 Cb -0.20 -0.06 -0.13 0.00 -0.63 0.00 0.00 43.02 42.01 3kzp s PHE 233 CO 0.58 -0.49 1.01 -2.30 -0.05 0.00 0.00 175.22 173.97 3kzp n PRO 234 N 0.27 1.39 0.00 1.99 -0.02 -1.26 0.01 135.00 137.37 3kzp n PRO 234 Ca -0.17 0.49 0.06 0.00 -2.02 0.00 0.00 63.50 61.87 3kzp n PRO 234 Cb 0.61 -1.94 0.38 0.00 -0.02 0.00 0.00 33.50 32.53 3kzp n PRO 234 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81