#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kef s GLN 2 N 0.00 4.31 -0.24 2.12 0.74 -0.09 -1.28 119.66 125.22 3kef s GLN 2 Ca 0.00 0.76 -0.05 0.00 0.05 0.00 0.00 55.36 56.12 3kef s GLN 2 Cb 0.00 -3.33 -0.01 0.00 1.10 0.00 0.00 33.01 30.77 3kef s GLN 2 CO 0.00 0.41 0.01 0.42 -0.55 0.00 0.00 175.29 175.58 3kef s ILE 3 N -0.34 3.73 0.02 -2.34 -1.09 -1.26 -0.96 121.20 118.96 3kef s ILE 3 Ca 0.31 -0.44 0.05 0.00 -2.23 0.00 0.00 60.65 58.34 3kef s ILE 3 Cb -0.19 -2.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.90 3kef s ILE 3 CO 0.18 0.34 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.35 3kef s LEU 4 N 1.52 2.92 -0.12 2.97 1.43 -0.57 0.11 118.68 126.94 3kef s LEU 4 Ca 0.05 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 3kef s LEU 4 Cb -0.15 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 3kef s LEU 4 CO -0.00 0.27 -0.18 -0.76 0.23 0.00 0.00 176.35 175.91 3kef s LEU 5 N -1.40 2.40 0.59 1.79 1.43 -0.06 -0.39 118.68 123.05 3kef s LEU 5 Ca 0.16 -0.45 -0.18 0.00 -1.03 0.00 0.00 54.13 52.63 3kef s LEU 5 Cb -0.11 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 3kef s LEU 5 CO 0.06 0.15 1.16 0.00 0.23 0.00 0.00 176.35 177.96 3kef s ALA 6 N 0.39 2.56 -0.11 4.21 0.00 -0.30 -1.29 121.76 127.23 3kef s ALA 6 Ca -0.14 0.87 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 3kef s ALA 6 Cb -0.17 -3.40 0.06 0.00 0.00 0.00 0.00 23.12 19.61 3kef s ALA 6 CO 0.07 -1.09 0.20 1.21 0.00 0.00 0.00 175.76 176.15 3kef s ASN 7 N -1.84 0.65 0.77 0.00 3.84 -1.26 -4.10 114.94 113.01 3kef s ASN 7 Ca 0.74 0.39 -0.12 0.00 0.21 0.00 0.00 52.86 54.09 3kef s ASN 7 Cb -0.26 0.43 0.05 0.00 -0.55 0.00 0.00 41.25 40.91 3kef s ASN 7 CO 0.33 -0.25 1.11 -2.16 -2.79 0.00 0.00 177.10 173.34 3kef s PRO 8 N 2.34 2.35 0.18 0.43 0.04 -1.26 -4.02 135.00 135.06 3kef s PRO 8 Ca 0.03 0.46 -0.15 0.00 0.04 0.00 0.00 61.00 61.37 3kef s PRO 8 Cb -0.12 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.48 3kef s PRO 8 CO -0.07 -1.39 0.45 -0.98 0.04 0.00 0.00 177.00 175.05 3kef s ARG 9 N -5.31 1.27 2.70 4.56 1.70 -1.26 -4.60 118.95 118.01 3kef s ARG 9 Ca 0.60 -0.90 0.00 0.00 -0.47 0.00 0.00 55.73 54.96 3kef s ARG 9 Cb -0.12 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 3kef s ARG 9 CO 0.52 -0.52 0.00 0.41 -1.08 0.00 0.00 175.30 174.63 3kef n GLY 10 N -0.29 -0.20 2.96 3.88 0.00 -0.09 -4.90 105.19 106.54 3kef n GLY 10 Ca -0.11 -1.04 -0.50 0.00 0.00 0.00 0.00 46.02 44.38 3kef n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kef n PHE 11 N 0.00 0.60 -3.33 1.61 3.01 -1.24 -3.83 117.46 114.28 3kef n PHE 11 Ca 0.00 0.90 -0.22 0.00 1.01 0.00 0.00 57.45 59.14 3kef n PHE 11 Cb 0.00 -1.77 0.03 0.00 -0.01 0.00 0.00 39.48 37.74 3kef n PHE 11 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kef h ALA 13 N 0.41 0.85 -0.31 0.00 0.00 -1.93 -2.73 119.26 115.54 3kef h ALA 13 Ca -0.33 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 53.92 3kef h ALA 13 Cb 1.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3kef h ALA 13 CO 0.47 0.70 -0.39 0.78 0.00 0.00 0.00 179.25 180.81 3kef h GLY 14 N 1.35 0.81 0.87 0.00 0.00 -1.94 -2.45 103.07 101.71 3kef h GLY 14 Ca 0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 47.33 46.42 3kef h GLY 14 CO 0.09 0.74 -0.22 -2.08 0.00 0.00 0.00 176.54 175.07 3kef h VAL 15 N 0.61 1.32 -0.89 4.60 2.07 -1.84 -1.11 116.25 121.01 3kef h VAL 15 Ca 0.05 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 3kef h VAL 15 Cb 0.93 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 3kef h VAL 15 CO 0.09 0.43 0.49 -0.78 0.02 0.00 0.00 177.57 177.82 3kef h ASP 16 N 0.25 1.10 -0.18 0.57 3.58 -1.49 -1.39 116.42 118.87 3kef h ASP 16 Ca 0.04 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.37 3kef h ASP 16 Cb 0.77 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 3kef h ASP 16 CO 0.06 0.88 -0.00 -0.09 -2.88 0.00 0.00 179.24 177.20 3kef h ARG 17 N 1.24 0.32 -0.39 0.28 2.43 -1.36 -2.06 114.38 114.84 3kef h ARG 17 Ca 0.31 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 3kef h ARG 17 Cb 0.01 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3kef h ARG 17 CO -0.05 0.53 0.22 0.00 -1.51 0.00 0.00 179.97 179.17 3kef h ALA 18 N 0.77 0.49 -0.68 2.80 0.00 -0.87 -0.09 119.26 121.69 3kef h ALA 18 Ca 0.05 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3kef h ALA 18 Cb 0.39 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3kef h ALA 18 CO 0.01 -0.12 0.14 0.82 0.00 0.00 0.00 179.25 180.11 3kef h ILE 19 N 0.46 1.26 -0.32 0.00 2.04 -1.28 -2.50 117.51 117.17 3kef h ILE 19 Ca 0.16 -0.99 -0.06 0.00 1.00 0.00 0.00 64.86 64.97 3kef h ILE 19 Cb 0.02 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 3kef h ILE 19 CO -0.08 0.38 -0.05 0.28 0.00 0.00 0.00 178.15 178.68 3kef h SER 20 N 1.04 0.49 -0.59 1.72 0.02 -0.86 -0.81 113.55 114.56 3kef h SER 20 Ca 0.21 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3kef h SER 20 Cb 0.39 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 3kef h SER 20 CO 0.01 0.59 0.26 0.40 -1.14 0.00 0.00 176.83 176.94 3kef h ILE 21 N 0.49 1.22 -0.10 3.27 2.04 -0.59 0.96 117.51 124.79 3kef h ILE 21 Ca 0.10 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 3kef h ILE 21 Cb 0.39 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3kef h ILE 21 CO 0.02 0.26 -0.07 0.58 0.00 0.00 0.00 178.15 178.93 3kef h VAL 22 N 0.80 1.34 -0.52 1.67 2.07 -1.15 -1.35 116.25 119.11 3kef h VAL 22 Ca 0.20 -1.16 0.03 0.00 0.82 0.00 0.00 66.70 66.60 3kef h VAL 22 Cb 0.16 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 3kef h VAL 22 CO -0.02 0.33 0.30 -0.33 0.02 0.00 0.00 177.57 177.86 3kef h GLU 23 N -0.15 0.56 -0.51 1.57 5.08 -1.03 -0.83 114.58 119.27 3kef h GLU 23 Ca 0.02 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 3kef h GLU 23 Cb 0.55 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3kef h GLU 23 CO 0.02 0.37 -0.09 -0.91 -1.00 0.00 0.00 179.01 177.40 3kef h ASN 24 N 0.58 0.93 -0.76 1.42 4.21 -0.81 -1.12 115.58 120.03 3kef h ASN 24 Ca 0.22 -0.29 -0.01 0.00 1.21 0.00 0.00 56.30 57.43 3kef h ASN 24 Cb 0.06 -0.25 -0.04 0.00 -1.12 0.00 0.00 38.32 36.98 3kef h ASN 24 CO -0.12 1.04 0.43 0.00 -1.29 0.00 0.00 177.43 177.49 3kef h ALA 25 N 1.05 0.97 -0.55 -0.83 0.00 -0.79 0.60 119.26 119.71 3kef h ALA 25 Ca 0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3kef h ALA 25 Cb 0.62 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3kef h ALA 25 CO 0.04 0.47 0.20 -0.07 0.00 0.00 0.00 179.25 179.89 3kef h LEU 26 N 1.05 0.78 -0.90 0.00 3.38 -0.85 0.53 115.31 119.29 3kef h LEU 26 Ca 0.27 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 3kef h LEU 26 Cb 0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3kef h LEU 26 CO -0.05 0.75 -0.28 0.00 0.09 0.00 0.00 178.44 178.96 3kef h ALA 27 N 1.05 1.07 0.05 1.53 0.00 -0.63 0.43 119.26 122.75 3kef h ALA 27 Ca 0.18 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 3kef h ALA 27 Cb 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kef h ALA 27 CO -0.01 0.57 -0.59 0.82 0.00 0.00 0.00 179.25 180.05 3kef h ILE 28 N 0.43 1.49 0.00 0.00 1.08 -0.73 -3.39 117.51 116.39 3kef h ILE 28 Ca 0.06 -2.38 0.00 0.00 -0.39 0.00 0.00 64.86 62.15 3kef h ILE 28 Cb 0.71 3.09 0.00 0.00 -3.07 0.00 0.00 36.82 37.54 3kef h ILE 28 CO 0.05 0.61 -1.21 -1.22 -0.69 0.00 0.00 178.15 175.70 3kef n TYR 29 N -4.36 0.00 -0.39 1.37 4.01 0.16 -5.10 117.16 112.85 3kef n TYR 29 Ca -0.16 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.63 3kef n TYR 29 Cb 0.66 -0.13 -0.02 0.00 -0.31 0.00 0.00 39.34 39.54 3kef n TYR 29 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kef n GLY 30 N 1.43 -1.97 3.80 2.72 0.00 0.15 -4.87 105.19 106.45 3kef n GLY 30 Ca 0.02 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 3kef n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kef s ALA 31 N -2.11 2.85 0.27 4.61 0.00 -1.26 -4.41 121.76 121.71 3kef s ALA 31 Ca 0.00 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.55 3kef s ALA 31 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3kef s ALA 31 CO 0.00 -0.41 0.45 -1.25 0.00 0.00 0.00 175.76 174.55 3kef s PRO 32 N -3.38 3.49 -0.12 0.00 0.04 -1.26 -5.13 135.00 128.64 3kef s PRO 32 Ca 0.67 -0.42 0.01 0.00 0.04 0.00 0.00 61.00 61.30 3kef s PRO 32 Cb -0.17 -2.78 0.02 0.00 0.04 0.00 0.00 34.50 31.61 3kef s PRO 32 CO 0.23 0.31 -0.15 0.42 0.04 0.00 0.00 177.00 177.85 3kef s ILE 33 N -2.06 1.50 0.10 0.56 -1.09 -1.05 -4.70 121.20 114.46 3kef s ILE 33 Ca 0.38 -0.63 -0.18 0.00 -2.23 0.00 0.00 60.65 57.99 3kef s ILE 33 Cb -0.10 -1.38 -0.07 0.00 -1.58 0.00 0.00 42.46 39.33 3kef s ILE 33 CO 0.32 0.44 0.58 -0.31 -1.23 0.00 0.00 174.94 174.73 3kef s TYR 34 N 1.13 3.75 -0.07 3.97 1.51 0.14 -1.02 117.35 126.76 3kef s TYR 34 Ca -0.04 1.24 0.01 0.00 -1.01 0.00 0.00 57.07 57.27 3kef s TYR 34 Cb -0.14 -2.48 0.02 0.00 -0.11 0.00 0.00 41.96 39.25 3kef s TYR 34 CO -0.04 0.54 -0.08 0.08 -1.11 0.00 0.00 175.55 174.93 3kef s VAL 35 N -1.22 0.88 -0.45 0.71 1.01 -0.23 -0.29 120.40 120.80 3kef s VAL 35 Ca 0.32 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 61.73 3kef s VAL 35 Cb -0.18 -0.85 0.03 0.00 0.00 0.00 0.00 36.38 35.37 3kef s VAL 35 CO 0.19 0.31 1.03 -0.60 0.00 0.00 0.00 175.10 176.03 3kef s ARG 36 N 1.00 3.68 0.17 2.72 3.52 0.37 -1.29 118.95 129.13 3kef s ARG 36 Ca -0.09 0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.95 3kef s ARG 36 Cb -0.15 -3.89 0.00 0.00 -1.56 0.00 0.00 34.95 29.35 3kef s ARG 36 CO -0.00 -1.25 0.00 1.58 -0.81 0.00 0.00 175.30 174.82 3kef n HIS 37 N 7.41 -1.11 -1.64 5.12 -0.00 0.20 -2.72 115.22 122.48 3kef n HIS 37 Ca 0.09 0.61 -0.48 0.00 -0.00 0.00 0.00 57.72 57.94 3kef n HIS 37 Cb 0.49 -1.07 -0.05 0.00 -0.00 0.00 0.00 29.99 29.36 3kef n HIS 37 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3kef n GLU 38 N -2.49 1.76 -0.35 1.57 1.02 -1.26 -4.66 120.64 116.24 3kef n GLU 38 Ca -0.02 0.63 0.10 0.00 -0.02 0.00 0.00 57.16 57.86 3kef n GLU 38 Cb 0.18 -2.33 0.28 0.00 -0.02 0.00 0.00 31.44 29.55 3kef n GLU 38 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3kef h VAL 39 N 3.40 0.77 -3.66 2.62 3.04 -1.93 -3.42 116.25 117.06 3kef h VAL 39 Ca -0.46 -0.28 -0.12 0.00 -1.01 0.00 0.00 66.70 64.84 3kef h VAL 39 Cb 1.29 -0.11 -0.18 0.00 -2.01 0.00 0.00 31.29 30.28 3kef h VAL 39 CO 0.83 0.15 -0.47 0.68 -1.01 0.00 0.00 177.57 177.75 3kef s VAL 40 N -5.90 0.12 -1.48 1.51 -7.23 -1.26 -1.94 120.40 104.21 3kef s VAL 40 Ca -0.12 -0.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.97 3kef s VAL 40 Cb 0.24 -0.84 0.00 0.00 0.56 0.00 0.00 36.38 36.34 3kef s VAL 40 CO 0.80 -0.53 2.42 1.41 -0.31 0.00 0.00 175.10 178.89 3kef n HIS 41 N 0.83 3.19 -3.65 2.82 -0.00 -1.26 -4.78 115.22 112.37 3kef n HIS 41 Ca -0.19 -2.98 -0.20 0.00 -0.00 0.00 0.00 57.72 54.35 3kef n HIS 41 Cb 0.58 -2.52 -0.17 0.00 -0.00 0.00 0.00 29.99 27.88 3kef n HIS 41 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3kef s ASN 42 N 2.97 1.28 0.20 0.41 3.84 -1.26 -4.04 114.94 118.35 3kef s ASN 42 Ca 0.53 -0.00 -0.10 0.00 0.21 0.00 0.00 52.86 53.50 3kef s ASN 42 Cb 0.15 -0.05 0.25 0.00 -0.55 0.00 0.00 41.25 41.05 3kef s ASN 42 CO -0.08 -0.27 1.76 -0.09 -2.79 0.00 0.00 177.10 175.63 3kef h ARG 43 N 8.42 0.44 -0.14 0.43 2.43 -1.94 -0.87 114.38 123.14 3kef h ARG 43 Ca -0.13 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.03 3kef h ARG 43 Cb 1.13 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 3kef h ARG 43 CO 0.18 0.29 0.04 -0.92 -1.51 0.00 0.00 179.97 178.05 3kef h TYR 44 N 0.45 0.08 -0.19 2.20 3.20 -1.96 0.24 116.97 120.98 3kef h TYR 44 Ca 0.29 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 3kef h TYR 44 Cb 0.32 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3kef h TYR 44 CO -0.15 0.04 0.11 0.28 -1.64 0.00 0.00 178.16 176.81 3kef h VAL 45 N 0.11 1.08 -0.05 1.81 2.07 -1.83 -0.70 116.25 118.74 3kef h VAL 45 Ca 0.06 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3kef h VAL 45 Cb 0.04 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3kef h VAL 45 CO -0.07 0.08 0.02 0.58 0.02 0.00 0.00 177.57 178.21 3kef h VAL 46 N 0.23 1.14 -0.77 2.57 2.07 -0.96 -1.12 116.25 119.41 3kef h VAL 46 Ca 0.07 -0.42 0.06 0.00 0.82 0.00 0.00 66.70 67.23 3kef h VAL 46 Cb 0.03 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 3kef h VAL 46 CO -0.01 0.12 0.46 0.44 0.02 0.00 0.00 177.57 178.60 3kef h ASP 47 N -0.08 0.72 -0.30 0.57 3.45 -0.46 0.02 116.42 120.35 3kef h ASP 47 Ca 0.02 0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.48 3kef h ASP 47 Cb 0.17 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.80 3kef h ASP 47 CO -0.00 0.47 0.10 -1.28 -1.57 0.00 0.00 179.24 176.96 3kef h SER 48 N 0.85 0.43 -0.27 6.45 0.87 -0.95 -1.95 113.55 118.98 3kef h SER 48 Ca 0.34 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 3kef h SER 48 Cb 0.16 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 3kef h SER 48 CO -0.17 0.50 -0.08 -0.07 -0.53 0.00 0.00 176.83 176.49 3kef h LEU 49 N 0.33 0.63 -0.72 2.23 3.38 -0.75 -2.26 115.31 118.14 3kef h LEU 49 Ca 0.10 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3kef h LEU 49 Cb 0.22 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3kef h LEU 49 CO -0.01 0.75 0.30 -0.09 0.09 0.00 0.00 178.44 179.49 3kef h ARG 50 N 0.60 1.07 0.00 1.13 2.43 -0.80 -0.63 114.38 118.18 3kef h ARG 50 Ca 0.11 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3kef h ARG 50 Cb 0.49 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3kef h ARG 50 CO 0.03 0.87 -0.12 1.49 -1.51 0.00 0.00 179.97 180.72 3kef h GLU 51 N 1.03 0.00 -0.00 0.20 4.22 -0.94 -1.58 114.58 117.50 3kef h GLU 51 Ca 0.24 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.68 3kef h GLU 51 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3kef h GLU 51 CO -0.02 0.12 -0.14 0.54 -2.18 0.00 0.00 179.01 177.33 3kef n ARG 52 N -4.29 0.60 0.00 1.92 5.12 -0.37 -4.91 116.66 114.73 3kef n ARG 52 Ca -0.03 -0.21 0.00 0.00 -1.93 0.00 0.00 57.85 55.68 3kef n ARG 52 Cb 0.20 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 3kef n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kef n GLY 53 N 1.31 1.03 3.75 -0.13 0.00 -0.59 -4.72 105.19 105.83 3kef n GLY 53 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3kef n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kef s ALA 54 N -2.00 3.37 -0.22 4.61 0.00 -0.47 -2.52 121.76 124.52 3kef s ALA 54 Ca 0.00 0.37 -0.01 0.00 0.00 0.00 0.00 51.96 52.32 3kef s ALA 54 Cb 0.00 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 20.09 3kef s ALA 54 CO 0.00 0.12 -0.10 0.42 0.00 0.00 0.00 175.76 176.20 3kef s ILE 55 N -0.42 2.71 -0.24 0.00 1.01 -0.19 -4.11 121.20 119.96 3kef s ILE 55 Ca 0.39 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 60.02 3kef s ILE 55 Cb -0.22 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 3kef s ILE 55 CO 0.26 0.37 0.36 -0.36 0.00 0.00 0.00 174.94 175.56 3kef s PHE 56 N 1.35 3.30 0.28 3.97 0.40 -1.26 -1.07 117.98 124.95 3kef s PHE 56 Ca 0.03 0.46 0.07 0.00 -0.60 0.00 0.00 56.93 56.89 3kef s PHE 56 Cb -0.15 -2.52 -0.06 0.00 0.51 0.00 0.00 43.02 40.80 3kef s PHE 56 CO -0.07 -0.12 -0.06 0.96 0.70 0.00 0.00 175.22 176.63 3kef s ILE 57 N 1.70 1.67 -0.16 0.64 -5.25 -0.41 -4.90 121.20 114.49 3kef s ILE 57 Ca 0.16 -2.13 0.13 0.00 -0.99 0.00 0.00 60.65 57.82 3kef s ILE 57 Cb -0.15 -2.46 -0.19 0.00 2.95 0.00 0.00 42.46 42.61 3kef s ILE 57 CO 0.09 -0.29 0.04 -0.62 -1.79 0.00 0.00 174.94 172.36 3kef n GLU 58 N -0.59 1.33 -4.78 0.37 -0.58 -1.26 0.58 120.64 115.70 3kef n GLU 58 Ca -0.05 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.40 3kef n GLU 58 Cb 0.63 -1.41 -0.14 0.00 -0.57 0.00 0.00 31.44 29.95 3kef n GLU 58 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3kef s GLN 59 N -2.39 1.67 0.56 3.49 -0.21 -1.26 -4.80 119.66 116.73 3kef s GLN 59 Ca -0.09 -1.13 0.24 0.00 0.02 0.00 0.00 55.36 54.40 3kef s GLN 59 Cb 0.05 -1.89 1.61 0.00 1.00 0.00 0.00 33.01 33.78 3kef s GLN 59 CO 0.64 0.48 2.21 0.82 -2.12 0.00 0.00 175.29 177.33 3kef h ILE 60 N 4.19 0.71 0.00 1.08 5.03 -1.94 -0.59 117.51 125.98 3kef h ILE 60 Ca -0.47 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.27 3kef h ILE 60 Cb 1.15 1.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.94 3kef h ILE 60 CO 0.43 0.00 0.00 -1.54 -0.68 0.00 0.00 178.15 176.36 3kef n SER 61 N -4.12 0.00 -0.14 1.72 3.41 -1.26 -0.93 113.62 112.31 3kef n SER 61 Ca -0.03 0.29 0.12 0.00 -0.26 0.00 0.00 58.87 58.99 3kef n SER 61 Cb 0.09 -0.37 0.21 0.00 -0.26 0.00 0.00 64.21 63.88 3kef n SER 61 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kef n GLU 62 N -1.37 0.41 -3.66 4.33 1.02 -0.23 -4.87 120.64 116.27 3kef n GLU 62 Ca 0.04 -0.27 -0.36 0.00 -0.02 0.00 0.00 57.16 56.54 3kef n GLU 62 Cb 0.10 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 29.94 3kef n GLU 62 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kef s VAL 63 N -2.77 5.36 0.69 2.62 1.01 -0.10 -5.07 120.40 122.14 3kef s VAL 63 Ca 0.16 0.25 -0.14 0.00 0.00 0.00 0.00 61.98 62.25 3kef s VAL 63 Cb 0.18 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 33.06 3kef s VAL 63 CO 0.65 0.38 1.12 -2.84 0.00 0.00 0.00 175.10 174.40 3kef s PRO 64 N 0.77 2.62 0.50 2.72 0.02 -1.26 -4.99 135.00 135.38 3kef s PRO 64 Ca 0.09 1.40 -0.22 0.00 0.02 0.00 0.00 61.00 62.29 3kef s PRO 64 Cb -0.13 -1.93 -0.06 0.00 0.02 0.00 0.00 34.50 32.40 3kef s PRO 64 CO 0.02 -1.39 1.21 -0.51 -0.33 0.00 0.00 177.00 176.00 3kef s ASP 65 N -2.65 5.81 0.00 2.53 1.11 -1.26 -2.74 116.67 119.47 3kef s ASP 65 Ca 0.67 2.40 0.00 0.00 0.18 0.00 0.00 52.55 55.80 3kef s ASP 65 Cb -0.21 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.17 3kef s ASP 65 CO 0.44 -1.17 0.00 0.61 1.18 0.00 0.00 175.17 176.23 3kef n GLY 66 N 0.48 1.44 3.88 0.21 0.00 0.45 -5.01 105.19 106.63 3kef n GLY 66 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3kef n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kef s ALA 67 N -3.53 2.64 -0.22 4.61 0.00 -1.11 -4.76 121.76 119.40 3kef s ALA 67 Ca 0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 51.96 51.41 3kef s ALA 67 Cb 0.00 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 3kef s ALA 67 CO 0.00 -1.51 0.10 0.42 0.00 0.00 0.00 175.76 174.77 3kef s ILE 68 N -3.42 4.82 -0.03 0.00 1.09 -1.26 -1.80 121.20 120.60 3kef s ILE 68 Ca 0.60 -0.01 0.07 0.00 -1.10 0.00 0.00 60.65 60.22 3kef s ILE 68 Cb -0.12 -3.22 -0.02 0.00 -1.06 0.00 0.00 42.46 38.04 3kef s ILE 68 CO 0.51 0.38 -0.26 -0.22 -0.10 0.00 0.00 174.94 175.26 3kef s LEU 69 N 0.97 2.05 -0.07 2.97 2.96 0.31 -0.69 118.68 127.18 3kef s LEU 69 Ca 0.05 -0.48 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 3kef s LEU 69 Cb -0.14 -1.34 0.00 0.00 0.50 0.00 0.00 46.19 45.21 3kef s LEU 69 CO 0.03 0.30 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.53 3kef s ILE 70 N -0.48 1.72 0.16 6.68 1.01 0.60 -1.46 121.20 129.42 3kef s ILE 70 Ca 0.06 -0.84 -0.26 0.00 0.00 0.00 0.00 60.65 59.61 3kef s ILE 70 Cb -0.11 -1.49 -0.08 0.00 0.01 0.00 0.00 42.46 40.79 3kef s ILE 70 CO 0.00 0.48 0.79 -0.36 0.00 0.00 0.00 174.94 175.86 3kef s PHE 71 N 0.25 3.90 1.05 3.97 2.99 -0.80 -0.47 117.98 128.86 3kef s PHE 71 Ca -0.12 1.65 -0.12 0.00 0.00 0.00 0.00 56.93 58.34 3kef s PHE 71 Cb -0.15 -2.80 0.22 0.00 0.00 0.00 0.00 43.02 40.29 3kef s PHE 71 CO 0.05 0.49 1.08 -1.54 -0.00 0.00 0.00 175.22 175.29 3kef s SER 72 N -1.03 2.15 0.63 1.36 1.04 -1.10 -1.82 113.70 114.93 3kef s SER 72 Ca 0.37 1.28 0.38 0.00 0.48 0.00 0.00 55.95 58.45 3kef s SER 72 Cb -0.23 -1.98 2.13 0.00 0.10 0.00 0.00 66.02 66.04 3kef s SER 72 CO 0.27 -3.44 2.31 0.00 0.98 0.00 0.00 173.24 173.35 3kef h ALA 73 N -2.10 1.22 0.00 5.32 0.00 -1.48 -2.28 119.26 119.94 3kef h ALA 73 Ca -0.56 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3kef h ALA 73 Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3kef h ALA 73 CO 0.56 0.01 0.00 0.45 0.00 0.00 0.00 179.25 180.26 3kef h HIS 74 N 0.00 0.00 0.00 0.00 3.86 -1.86 -1.39 115.15 115.76 3kef h HIS 74 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kef h HIS 74 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.50 3kef h HIS 74 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 3kef n GLY 75 N 0.75 -0.12 3.14 2.45 0.00 -0.86 -4.10 105.19 106.45 3kef n GLY 75 Ca 0.04 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 3kef n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kef s VAL 76 N -2.49 0.66 0.92 1.61 -7.23 -1.26 -4.63 120.40 107.98 3kef s VAL 76 Ca 0.00 -1.71 -0.12 0.00 -1.81 0.00 0.00 61.98 58.34 3kef s VAL 76 Cb 0.00 -1.41 0.14 0.00 0.56 0.00 0.00 36.38 35.67 3kef s VAL 76 CO 0.00 -0.74 1.10 -0.94 -0.31 0.00 0.00 175.10 174.21 3kef s SER 77 N -2.66 3.37 0.32 4.85 1.04 -1.26 -4.76 113.70 114.62 3kef s SER 77 Ca 0.06 1.27 0.07 0.00 0.48 0.00 0.00 55.95 57.83 3kef s SER 77 Cb 0.01 -1.93 0.56 0.00 0.10 0.00 0.00 66.02 64.76 3kef s SER 77 CO -0.03 -2.67 1.78 1.56 0.98 0.00 0.00 173.24 174.85 3kef h GLN 78 N -1.57 0.26 -0.37 4.02 1.08 -1.56 -1.37 115.11 115.59 3kef h GLN 78 Ca -0.51 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 56.59 3kef h GLN 78 Cb 1.30 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.70 3kef h GLN 78 CO 0.58 0.54 0.19 0.00 -0.95 0.00 0.00 178.83 179.19 3kef h ALA 79 N 1.46 0.47 -0.44 3.87 0.00 -1.92 0.30 119.26 123.00 3kef h ALA 79 Ca 0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3kef h ALA 79 Cb 0.65 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3kef h ALA 79 CO 0.05 0.01 0.07 0.28 0.00 0.00 0.00 179.25 179.65 3kef h VAL 80 N 0.46 1.25 -0.74 0.00 2.07 -1.86 -0.19 116.25 117.24 3kef h VAL 80 Ca 0.13 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 3kef h VAL 80 Cb 0.08 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3kef h VAL 80 CO -0.02 0.31 0.27 -0.09 0.02 0.00 0.00 177.57 178.06 3kef h ARG 81 N 0.59 1.13 -0.15 1.57 2.43 -0.94 -1.75 114.38 117.25 3kef h ARG 81 Ca 0.13 -0.22 -0.16 0.00 -0.81 0.00 0.00 59.98 58.92 3kef h ARG 81 Cb 0.39 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3kef h ARG 81 CO 0.01 0.94 -0.59 -0.91 -1.51 0.00 0.00 179.97 177.92 3kef h ASN 82 N 1.08 0.56 -0.79 -3.80 2.35 -0.27 -1.66 115.58 113.05 3kef h ASN 82 Ca 0.24 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 3kef h ASN 82 Cb 0.26 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 3kef h ASN 82 CO -0.01 1.02 0.40 -0.08 -1.65 0.00 0.00 177.43 177.10 3kef h GLU 83 N 0.37 1.12 -0.40 0.81 4.81 -0.70 0.61 114.58 121.20 3kef h GLU 83 Ca -0.00 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 58.96 3kef h GLU 83 Cb 1.13 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 3kef h GLU 83 CO 0.11 0.86 -0.22 0.00 -0.73 0.00 0.00 179.01 179.02 3kef h ALA 84 N 1.21 0.87 -0.60 2.92 0.00 -1.20 -2.53 119.26 119.92 3kef h ALA 84 Ca 0.27 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3kef h ALA 84 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3kef h ALA 84 CO -0.04 0.63 -0.01 0.87 0.00 0.00 0.00 179.25 180.71 3kef h LYS 85 N 0.69 1.06 0.00 0.00 1.57 -0.60 -2.42 116.57 116.86 3kef h LYS 85 Ca 0.10 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3kef h LYS 85 Cb 0.74 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3kef h LYS 85 CO 0.06 1.03 0.00 0.66 -0.57 0.00 0.00 179.45 180.63 3kef h SER 86 N 0.96 0.00 -3.19 0.86 4.64 -0.77 -3.44 113.55 112.61 3kef h SER 86 Ca 0.17 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 61.02 3kef h SER 86 Cb 0.56 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.69 3kef h SER 86 CO 0.03 0.00 0.03 -0.13 -0.87 0.00 0.00 176.83 175.89 3kef s ARG 87 N -3.57 3.07 -1.27 4.77 1.81 -0.91 -4.99 118.95 117.86 3kef s ARG 87 Ca 0.02 -0.22 -0.14 0.00 -1.72 0.00 0.00 55.73 53.67 3kef s ARG 87 Cb 0.09 -2.43 0.14 0.00 -0.45 0.00 0.00 34.95 32.29 3kef s ARG 87 CO 0.52 -0.42 1.67 -3.47 -0.68 0.00 0.00 175.30 172.92 3kef n ASP 88 N -2.29 5.01 -3.93 0.23 4.64 -1.26 -4.93 116.55 114.02 3kef n ASP 88 Ca 0.02 -2.98 -0.12 0.00 -1.38 0.00 0.00 54.79 50.34 3kef n ASP 88 Cb 0.57 -1.60 -0.13 0.00 -1.04 0.00 0.00 41.12 38.92 3kef n ASP 88 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3kef s LEU 89 N 1.89 2.09 -0.24 -2.67 1.43 -1.26 0.17 118.68 120.09 3kef s LEU 89 Ca 0.45 -0.21 -0.19 0.00 -1.03 0.00 0.00 54.13 53.15 3kef s LEU 89 Cb 0.03 -0.02 -0.03 0.00 0.03 0.00 0.00 46.19 46.20 3kef s LEU 89 CO 0.01 -0.10 0.55 -0.89 0.23 0.00 0.00 176.35 176.15 3kef s THR 90 N -0.57 5.06 -0.07 5.49 2.01 -0.74 -4.94 115.64 121.87 3kef s THR 90 Ca -0.05 0.97 0.02 0.00 0.31 0.00 0.00 61.69 62.94 3kef s THR 90 Cb -0.04 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 3kef s THR 90 CO -0.00 0.10 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.20 3kef s VAL 91 N 2.17 3.16 -0.07 3.82 1.01 -1.26 -0.53 120.40 128.68 3kef s VAL 91 Ca 0.23 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.57 3kef s VAL 91 Cb -0.16 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 33.97 3kef s VAL 91 CO 0.09 0.58 -0.16 -0.36 0.00 0.00 0.00 175.10 175.25 3kef s PHE 92 N -0.48 1.79 -0.38 5.22 0.08 -0.54 -4.99 117.98 118.68 3kef s PHE 92 Ca 0.06 -0.67 -0.14 0.00 0.12 0.00 0.00 56.93 56.31 3kef s PHE 92 Cb -0.12 -1.25 0.01 0.00 -0.57 0.00 0.00 43.02 41.09 3kef s PHE 92 CO 0.02 -0.30 0.27 0.34 -0.10 0.00 0.00 175.22 175.44 3kef s ASP 93 N 0.49 6.04 -0.02 1.36 3.68 -1.26 -1.91 116.67 125.05 3kef s ASP 93 Ca -0.14 -0.75 0.18 0.00 2.13 0.00 0.00 52.55 53.97 3kef s ASP 93 Cb -0.16 -2.13 0.55 0.00 -1.45 0.00 0.00 42.92 39.72 3kef s ASP 93 CO 0.05 -0.37 1.45 0.00 0.13 0.00 0.00 175.17 176.43 3kef n ALA 94 N 5.12 2.51 -1.65 3.66 0.00 -0.75 -4.93 120.51 124.47 3kef n ALA 94 Ca -0.12 -1.10 -0.46 0.00 0.00 0.00 0.00 53.44 51.76 3kef n ALA 94 Cb 0.48 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 3kef n ALA 94 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kef n THR 95 N 1.21 0.71 -1.93 0.00 -1.04 -1.19 -3.76 114.28 108.28 3kef n THR 95 Ca 0.20 -0.18 -0.41 0.00 -2.04 0.00 0.00 64.05 61.63 3kef n THR 95 Cb 0.56 -1.34 -0.02 0.00 -1.82 0.00 0.00 70.33 67.71 3kef n THR 95 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kef h PRO 97 N 4.07 0.28 0.00 0.00 0.11 -1.92 0.12 132.00 134.66 3kef h PRO 97 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kef h PRO 97 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kef h PRO 97 CO 0.72 0.19 0.00 -0.07 -0.21 0.00 0.00 178.00 178.62 3kef h LEU 98 N 0.29 0.00 0.16 2.35 3.38 -1.98 -0.96 115.31 118.55 3kef h LEU 98 Ca 0.44 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.08 3kef h LEU 98 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3kef h LEU 98 CO -0.13 0.00 -1.66 0.58 0.09 0.00 0.00 178.44 177.33 3kef h VAL 99 N 0.00 0.95 -0.94 1.22 2.07 -1.18 -3.32 116.25 115.06 3kef h VAL 99 Ca 0.00 -2.46 0.06 0.00 0.82 0.00 0.00 66.70 65.11 3kef h VAL 99 Cb 0.68 2.74 -0.06 0.00 -1.52 0.00 0.00 31.29 33.12 3kef h VAL 99 CO 0.00 0.81 0.61 0.74 0.02 0.00 0.00 177.57 179.75 3kef h THR 100 N -0.03 1.10 -0.58 2.57 2.02 -1.00 -1.53 112.91 115.46 3kef h THR 100 Ca -0.34 -0.38 0.09 0.00 0.77 0.00 0.00 66.41 66.56 3kef h THR 100 Cb 1.99 -0.10 -0.07 0.00 -1.74 0.00 0.00 68.15 68.22 3kef h THR 100 CO 0.13 0.20 0.18 0.50 0.37 0.00 0.00 175.52 176.91 3kef h LYS 101 N 1.10 0.33 -0.52 6.66 3.64 -1.28 -0.81 116.57 125.71 3kef h LYS 101 Ca 0.40 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.66 3kef h LYS 101 Cb 0.14 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3kef h LYS 101 CO -0.14 0.22 -0.06 0.28 -2.27 0.00 0.00 179.45 177.48 3kef h VAL 102 N 0.34 1.27 -0.60 2.00 2.07 -1.41 -2.99 116.25 116.94 3kef h VAL 102 Ca 0.30 -1.19 0.12 0.00 0.82 0.00 0.00 66.70 66.74 3kef h VAL 102 Cb 0.39 0.99 -0.09 0.00 -1.52 0.00 0.00 31.29 31.06 3kef h VAL 102 CO -0.33 0.42 0.10 0.45 0.02 0.00 0.00 177.57 178.23 3kef h HIS 103 N 0.82 0.15 -0.73 1.57 3.86 -0.32 -1.56 115.15 118.94 3kef h HIS 103 Ca 0.14 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3kef h HIS 103 Cb 0.61 0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.07 3kef h HIS 103 CO 0.04 -0.06 0.40 0.52 0.86 0.00 0.00 177.93 179.70 3kef h MET 104 N 0.23 1.01 -0.51 2.45 2.86 -1.08 -0.43 114.93 119.46 3kef h MET 104 Ca 0.31 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.74 3kef h MET 104 Cb 0.48 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3kef h MET 104 CO -0.42 0.74 -0.10 0.93 1.06 0.00 0.00 176.91 179.12 3kef h GLU 105 N 1.02 0.94 -0.37 1.72 4.39 -1.22 -0.95 114.58 120.10 3kef h GLU 105 Ca 0.26 -0.33 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 3kef h GLU 105 Cb 0.02 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3kef h GLU 105 CO -0.04 0.99 -0.06 0.28 -1.16 0.00 0.00 179.01 179.02 3kef h VAL 106 N 0.85 1.27 -1.00 3.13 2.07 -0.81 -1.81 116.25 119.94 3kef h VAL 106 Ca 0.14 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.56 3kef h VAL 106 Cb 0.63 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3kef h VAL 106 CO 0.04 0.37 0.66 0.00 0.02 0.00 0.00 177.57 178.66 3kef h ALA 107 N 0.84 1.27 -0.40 1.67 0.00 -0.91 -0.67 119.26 121.05 3kef h ALA 107 Ca 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3kef h ALA 107 Cb 0.56 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3kef h ALA 107 CO 0.03 0.65 0.18 -0.09 0.00 0.00 0.00 179.25 180.03 3kef h ARG 108 N 1.35 0.58 -0.76 0.00 2.43 -0.93 -1.24 114.38 115.81 3kef h ARG 108 Ca 0.37 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 3kef h ARG 108 Cb -0.15 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.26 3kef h ARG 108 CO -0.08 0.52 0.32 0.00 -1.51 0.00 0.00 179.97 179.22 3kef h ALA 109 N 1.03 0.99 -0.49 2.80 0.00 -0.79 -2.39 119.26 120.42 3kef h ALA 109 Ca 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kef h ALA 109 Cb 0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3kef h ALA 109 CO -0.02 0.59 0.27 1.03 0.00 0.00 0.00 179.25 181.13 3kef h SER 110 N 1.09 0.60 -0.68 0.00 0.87 -0.84 -1.44 113.55 113.16 3kef h SER 110 Ca 0.26 -0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3kef h SER 110 Cb 0.19 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 3kef h SER 110 CO -0.02 0.51 0.44 0.03 -0.53 0.00 0.00 176.83 177.26 3kef h ARG 111 N 0.64 0.89 -0.00 2.24 3.08 -0.96 -0.97 114.38 119.31 3kef h ARG 111 Ca 0.17 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3kef h ARG 111 Cb 0.04 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.89 3kef h ARG 111 CO -0.03 0.60 -0.03 0.54 -1.07 0.00 0.00 179.97 179.97 3kef n ARG 112 N -4.43 0.45 -1.28 0.04 1.74 -0.91 -4.90 116.66 107.38 3kef n ARG 112 Ca 0.07 -0.04 -0.10 0.00 -0.77 0.00 0.00 57.85 57.01 3kef n ARG 112 Cb 0.04 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 29.94 3kef n ARG 112 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kef n GLY 113 N 1.30 1.10 3.83 -0.13 0.00 -0.37 -4.99 105.19 105.93 3kef n GLY 113 Ca 0.14 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 3kef n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kef s GLU 114 N -2.67 3.80 0.51 1.61 2.02 -0.73 -3.99 118.70 119.25 3kef s GLU 114 Ca 0.00 0.12 -0.21 0.00 0.02 0.00 0.00 54.97 54.89 3kef s GLU 114 Cb 0.00 -3.25 -0.06 0.00 0.10 0.00 0.00 34.13 30.91 3kef s GLU 114 CO 0.00 0.63 1.19 -1.21 0.02 0.00 0.00 175.26 175.89 3kef s GLU 115 N -0.71 3.47 0.07 1.61 2.02 -1.22 -4.36 118.70 119.58 3kef s GLU 115 Ca 0.18 1.82 0.04 0.00 0.02 0.00 0.00 54.97 57.04 3kef s GLU 115 Cb -0.14 -2.24 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 3kef s GLU 115 CO 0.07 -0.80 -0.12 -1.12 0.02 0.00 0.00 175.26 173.31 3kef s SER 116 N -1.41 1.46 -0.10 -0.19 0.01 -0.36 -2.29 113.70 110.83 3kef s SER 116 Ca 0.69 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 57.35 3kef s SER 116 Cb -0.30 -0.02 0.01 0.00 0.21 0.00 0.00 66.02 65.92 3kef s SER 116 CO 0.35 -0.13 -0.18 -0.63 0.41 0.00 0.00 173.24 173.06 3kef s ILE 117 N -1.44 1.65 -0.13 1.44 1.01 0.25 -1.46 121.20 122.51 3kef s ILE 117 Ca -0.03 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.82 3kef s ILE 117 Cb -0.09 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 3kef s ILE 117 CO 0.02 0.47 0.00 -0.22 0.00 0.00 0.00 174.94 175.21 3kef s LEU 118 N 0.67 3.52 -0.29 2.97 2.96 0.90 -1.14 118.68 128.28 3kef s LEU 118 Ca -0.13 0.03 -0.13 0.00 -0.22 0.00 0.00 54.13 53.69 3kef s LEU 118 Cb -0.16 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 3kef s LEU 118 CO 0.03 0.25 0.27 -0.63 -1.32 0.00 0.00 176.35 174.96 3kef s ILE 119 N -0.14 5.25 0.01 6.68 1.09 -0.24 -1.27 121.20 132.58 3kef s ILE 119 Ca 0.04 0.25 -0.21 0.00 -1.10 0.00 0.00 60.65 59.63 3kef s ILE 119 Cb -0.13 -3.63 0.07 0.00 -1.06 0.00 0.00 42.46 37.72 3kef s ILE 119 CO 0.02 0.16 0.98 0.61 -0.10 0.00 0.00 174.94 176.61 3kef n GLY 120 N 4.94 0.37 3.52 6.18 0.00 -0.89 -0.98 105.19 118.32 3kef n GLY 120 Ca -0.12 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 3kef n GLY 120 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kef s HIS 121 N -2.36 3.15 0.34 1.61 3.76 -1.26 -4.09 115.29 116.44 3kef s HIS 121 Ca 0.23 -0.16 -0.27 0.00 -0.15 0.00 0.00 55.06 54.70 3kef s HIS 121 Cb -0.01 -2.30 -0.13 0.00 1.11 0.00 0.00 32.58 31.26 3kef s HIS 121 CO 0.00 -0.25 1.10 0.00 -0.85 0.00 0.00 174.74 174.74 3kef n ALA 122 N 4.95 0.37 0.00 -1.40 0.00 -1.26 -2.26 120.51 120.90 3kef n ALA 122 Ca -0.15 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3kef n ALA 122 Cb 0.52 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.86 3kef n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kef n GLY 123 N 1.07 3.07 3.75 0.00 0.00 -1.26 -5.03 105.19 106.79 3kef n GLY 123 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3kef n GLY 123 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kef s HIS 124 N -2.01 3.37 0.42 1.61 5.04 -0.96 -4.90 115.29 117.85 3kef s HIS 124 Ca 0.00 1.45 0.15 0.00 -1.54 0.00 0.00 55.06 55.13 3kef s HIS 124 Cb 0.00 -3.47 1.03 0.00 0.04 0.00 0.00 32.58 30.18 3kef s HIS 124 CO 0.00 -1.28 1.91 -1.00 -2.34 0.00 0.00 174.74 172.03 3kef h PRO 125 N 4.57 0.43 -0.47 2.88 0.13 -1.94 -0.85 132.00 136.74 3kef h PRO 125 Ca -0.46 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 3kef h PRO 125 Cb 1.22 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 3kef h PRO 125 CO 0.71 0.28 -0.13 1.49 -0.23 0.00 0.00 178.00 180.13 3kef h GLU 126 N 0.44 0.88 -0.41 0.86 4.81 -1.86 -1.02 114.58 118.29 3kef h GLU 126 Ca 0.39 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3kef h GLU 126 Cb 0.88 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 3kef h GLU 126 CO -0.13 0.96 0.07 0.28 -0.73 0.00 0.00 179.01 179.46 3kef h VAL 127 N 0.79 1.24 -0.89 0.32 2.07 -1.49 -0.35 116.25 117.94 3kef h VAL 127 Ca 0.12 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3kef h VAL 127 Cb 0.66 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 3kef h VAL 127 CO 0.05 0.30 0.51 -0.33 0.02 0.00 0.00 177.57 178.11 3kef h GLU 128 N 0.52 1.22 -0.28 1.57 5.08 -1.10 0.48 114.58 122.07 3kef h GLU 128 Ca 0.12 -0.13 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 3kef h GLU 128 Cb 0.36 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3kef h GLU 128 CO 0.01 0.88 -0.55 0.78 -1.00 0.00 0.00 179.01 179.12 3kef h GLY 129 N 1.23 0.94 0.71 -3.84 0.00 -0.96 -1.34 103.07 99.81 3kef h GLY 129 Ca 0.31 -1.10 -0.08 0.00 0.00 0.00 0.00 47.33 46.46 3kef h GLY 129 CO -0.05 0.99 -0.23 -0.84 0.00 0.00 0.00 176.54 176.41 3kef h THR 130 N 0.66 1.39 0.00 4.70 2.02 -0.84 -2.83 112.91 118.00 3kef h THR 130 Ca 0.01 -1.51 -0.05 0.00 0.77 0.00 0.00 66.41 65.63 3kef h THR 130 Cb 1.16 2.10 -0.01 0.00 -1.74 0.00 0.00 68.15 69.66 3kef h THR 130 CO 0.12 0.44 -0.25 0.24 0.37 0.00 0.00 175.52 176.44 3kef h MET 131 N -0.09 0.00 0.00 6.66 2.07 -0.98 -1.88 114.93 120.71 3kef h MET 131 Ca 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3kef h MET 131 Cb 0.82 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.55 3kef h MET 131 CO 0.05 0.25 0.00 0.41 1.07 0.00 0.00 176.91 178.69 3kef n GLY 132 N -0.73 -0.64 0.00 8.32 0.00 -0.51 -2.12 105.19 109.52 3kef n GLY 132 Ca -0.02 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.05 3kef n GLY 132 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kef n GLN 133 N -0.73 0.05 -3.51 1.61 1.13 -0.71 -1.62 117.38 113.60 3kef n GLN 133 Ca 0.07 -0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.75 3kef n GLN 133 Cb 0.03 -1.51 -0.08 0.00 0.11 0.00 0.00 30.24 28.79 3kef n GLN 133 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3kef s TYR 134 N -3.03 3.36 0.00 1.08 5.04 -0.90 -4.27 117.35 118.63 3kef s TYR 134 Ca 0.08 0.46 0.00 0.00 -2.44 0.00 0.00 57.07 55.17 3kef s TYR 134 Cb 0.16 -2.40 0.00 0.00 0.35 0.00 0.00 41.96 40.07 3kef s TYR 134 CO 0.80 0.05 0.01 -1.13 -1.34 0.00 0.00 175.55 173.93 3kef n SER 135 N 4.30 0.01 -4.61 4.32 3.41 -1.26 -5.03 113.62 114.76 3kef n SER 135 Ca -0.11 -0.21 -0.43 0.00 -0.26 0.00 0.00 58.87 57.86 3kef n SER 135 Cb 0.52 0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 64.79 3kef n SER 135 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3kef s ASN 136 N -0.35 6.24 0.54 4.04 3.04 -1.26 -4.89 114.94 122.31 3kef s ASN 136 Ca 0.00 1.16 0.23 0.00 0.04 0.00 0.00 52.86 54.29 3kef s ASN 136 Cb 0.00 -2.53 1.50 0.00 -1.54 0.00 0.00 41.25 38.68 3kef s ASN 136 CO 0.00 -1.45 2.17 -0.65 -3.04 0.00 0.00 177.10 174.13 3kef h PRO 137 N 11.24 0.00 0.00 0.43 0.11 -1.96 -2.22 132.00 139.60 3kef h PRO 137 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3kef h PRO 137 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kef h PRO 137 CO 1.05 0.04 0.00 0.93 -0.21 0.00 0.00 178.00 179.81 3kef h GLU 138 N 0.00 0.00 0.00 1.05 5.08 -1.91 -3.44 114.58 115.36 3kef h GLU 138 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kef h GLU 138 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3kef h GLU 138 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3kef n GLY 139 N 0.44 0.99 0.00 -3.84 0.00 -0.84 -4.95 105.19 96.99 3kef n GLY 139 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3kef n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kef n GLY 140 N 5.00 0.99 2.78 -0.02 0.00 -1.26 -4.89 105.19 107.80 3kef n GLY 140 Ca 0.00 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 3kef n GLY 140 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kef s MET 141 N -2.00 0.83 0.11 1.61 0.00 -1.26 -1.22 119.30 117.37 3kef s MET 141 Ca 0.00 -0.31 0.10 0.00 0.00 0.00 0.00 55.69 55.48 3kef s MET 141 Cb 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 34.83 33.00 3kef s MET 141 CO 0.00 -0.50 -0.24 0.71 0.00 0.00 0.00 175.02 174.99 3kef s TYR 142 N 1.83 2.39 -0.11 4.11 1.51 -0.54 -5.01 117.35 121.53 3kef s TYR 142 Ca 0.01 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 3kef s TYR 142 Cb -0.15 -1.31 -0.02 0.00 -0.11 0.00 0.00 41.96 40.36 3kef s TYR 142 CO -0.07 0.31 -0.11 -1.17 -1.11 0.00 0.00 175.55 173.40 3kef s LEU 143 N -1.91 2.87 -0.01 -1.29 2.96 -1.26 -0.07 118.68 119.98 3kef s LEU 143 Ca 0.15 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 3kef s LEU 143 Cb -0.10 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 44.94 3kef s LEU 143 CO 0.06 0.22 -0.09 0.68 -1.32 0.00 0.00 176.35 175.91 3kef s VAL 144 N 0.01 0.71 -0.07 1.68 -7.23 -0.40 -4.96 120.40 110.14 3kef s VAL 144 Ca -0.03 -0.37 0.09 0.00 -1.81 0.00 0.00 61.98 59.87 3kef s VAL 144 Cb -0.14 -0.60 -0.14 0.00 0.56 0.00 0.00 36.38 36.06 3kef s VAL 144 CO 0.04 0.21 0.23 -0.62 -0.31 0.00 0.00 175.10 174.64 3kef n GLU 145 N 2.96 0.77 -4.06 4.82 1.02 -1.26 -2.10 120.64 122.80 3kef n GLU 145 Ca -0.14 -0.07 -0.12 0.00 -0.02 0.00 0.00 57.16 56.80 3kef n GLU 145 Cb 0.56 -1.18 -0.05 0.00 -0.02 0.00 0.00 31.44 30.75 3kef n GLU 145 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3kef s SER 146 N -2.91 0.38 0.31 1.62 1.04 -1.26 -4.86 113.70 108.01 3kef s SER 146 Ca -0.03 -1.24 -0.00 0.00 0.48 0.00 0.00 55.95 55.17 3kef s SER 146 Cb 0.06 0.60 0.48 0.00 0.10 0.00 0.00 66.02 67.27 3kef s SER 146 CO 0.38 -1.19 1.91 -0.65 0.98 0.00 0.00 173.24 174.67 3kef h PRO 147 N 2.23 0.88 -0.80 4.02 0.11 -1.90 -2.08 132.00 134.47 3kef h PRO 147 Ca -0.28 -0.11 0.06 0.00 0.11 0.00 0.00 66.00 65.77 3kef h PRO 147 Cb 1.25 -0.17 -0.06 0.00 0.11 0.00 0.00 31.00 32.13 3kef h PRO 147 CO 0.39 0.68 0.48 -0.44 -0.21 0.00 0.00 178.00 178.91 3kef h ASP 148 N 0.88 0.76 -0.26 -2.05 3.32 -1.98 0.87 116.42 117.96 3kef h ASP 148 Ca 0.22 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 3kef h ASP 148 Cb 0.09 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3kef h ASP 148 CO -0.03 0.49 0.05 0.44 -1.72 0.00 0.00 179.24 178.47 3kef h ASP 149 N 0.89 0.48 -0.28 6.45 3.32 -1.79 -2.28 116.42 123.21 3kef h ASP 149 Ca 0.35 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 3kef h ASP 149 Cb 0.16 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3kef h ASP 149 CO -0.17 0.52 -0.08 0.58 -1.72 0.00 0.00 179.24 178.37 3kef h VAL 150 N 0.51 1.28 -0.17 -1.35 2.07 -0.72 -2.91 116.25 114.96 3kef h VAL 150 Ca 0.11 -1.11 0.05 0.00 0.82 0.00 0.00 66.70 66.57 3kef h VAL 150 Cb 0.26 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3kef h VAL 150 CO 0.00 0.35 0.25 -0.50 0.02 0.00 0.00 177.57 177.69 3kef h TRP 151 N 0.31 0.00 -0.21 1.57 -0.00 -0.33 -2.13 115.95 115.17 3kef h TRP 151 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.96 3kef h TRP 151 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.72 3kef h TRP 151 CO 0.05 0.00 0.00 0.36 -0.00 0.00 0.00 178.44 178.85 3kef n LYS 152 N -3.54 2.86 -3.20 0.49 2.85 -1.09 -5.01 118.16 111.52 3kef n LYS 152 Ca 0.01 -1.93 -0.39 0.00 -1.05 0.00 0.00 58.31 54.95 3kef n LYS 152 Cb 0.36 -1.22 -0.06 0.00 -0.65 0.00 0.00 35.03 33.46 3kef n LYS 152 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3kef s LEU 153 N -1.19 4.49 -0.00 -5.58 2.96 -0.80 -5.07 118.68 113.48 3kef s LEU 153 Ca 0.17 1.28 0.05 0.00 -0.22 0.00 0.00 54.13 55.41 3kef s LEU 153 Cb 0.10 -2.97 -0.01 0.00 0.50 0.00 0.00 46.19 43.80 3kef s LEU 153 CO 0.09 0.19 -0.17 0.42 -1.32 0.00 0.00 176.35 175.57 3kef s THR 154 N -0.73 1.31 0.28 3.68 -4.23 -1.26 -5.04 115.64 109.65 3kef s THR 154 Ca 0.31 -0.77 0.08 0.00 -1.18 0.00 0.00 61.69 60.14 3kef s THR 154 Cb -0.20 -1.10 -0.06 0.00 1.34 0.00 0.00 72.50 72.49 3kef s THR 154 CO 0.19 0.33 -0.10 0.68 -0.54 0.00 0.00 174.62 175.18 3kef s VAL 155 N -0.46 1.88 0.09 2.29 -7.23 -1.26 -5.06 120.40 110.66 3kef s VAL 155 Ca 0.06 -2.19 -0.17 0.00 -1.81 0.00 0.00 61.98 57.86 3kef s VAL 155 Cb -0.07 -2.39 -0.07 0.00 0.56 0.00 0.00 36.38 34.41 3kef s VAL 155 CO -0.00 -0.35 1.51 0.11 -0.31 0.00 0.00 175.10 176.06 3kef h LYS 156 N 2.28 0.52 -2.18 4.82 1.57 -1.99 -3.42 116.57 118.17 3kef h LYS 156 Ca -0.40 -0.18 -0.31 0.00 -1.87 0.00 0.00 60.65 57.88 3kef h LYS 156 Cb 1.24 -0.04 -0.33 0.00 0.08 0.00 0.00 32.23 33.17 3kef h LYS 156 CO 0.66 0.70 -0.62 1.21 -0.57 0.00 0.00 179.45 180.82 3kef s ASN 157 N -6.07 1.54 0.00 0.86 2.47 -1.26 -5.01 114.94 107.47 3kef s ASN 157 Ca -0.13 -0.61 0.19 0.00 0.42 0.00 0.00 52.86 52.73 3kef s ASN 157 Cb 0.08 0.53 1.15 0.00 -1.45 0.00 0.00 41.25 41.57 3kef s ASN 157 CO 0.76 -0.37 1.65 -1.84 -3.72 0.00 0.00 177.10 173.58 3kef n GLU 158 N 5.32 0.85 0.11 0.43 0.28 -1.26 -2.67 120.64 123.69 3kef n GLU 158 Ca -0.03 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.98 3kef n GLU 158 Cb 0.47 -1.36 -0.01 0.00 1.43 0.00 0.00 31.44 31.97 3kef n GLU 158 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3kef h GLU 159 N 0.00 0.00 -2.98 3.44 4.39 -1.94 -3.38 114.58 114.11 3kef h GLU 159 Ca 0.00 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.08 3kef h GLU 159 Cb 0.00 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.24 3kef h GLU 159 CO 0.00 0.52 -0.65 0.15 -1.16 0.00 0.00 179.01 177.87 3kef s LYS 160 N -2.93 2.14 0.00 2.33 -0.14 -1.09 -4.92 119.74 115.13 3kef s LYS 160 Ca 0.02 -3.05 0.01 0.00 -1.36 0.00 0.00 55.97 51.59 3kef s LYS 160 Cb 0.08 -3.05 -0.00 0.00 -1.68 0.00 0.00 37.83 33.18 3kef s LYS 160 CO 0.77 -1.29 -0.03 -1.17 -0.76 0.00 0.00 175.35 172.87 3kef s LEU 161 N -1.08 2.02 0.11 3.17 2.96 -1.26 -3.42 118.68 121.19 3kef s LEU 161 Ca 0.25 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 3kef s LEU 161 Cb -0.05 -0.12 -0.04 0.00 0.50 0.00 0.00 46.19 46.48 3kef s LEU 161 CO -0.16 0.01 -0.02 -0.94 -1.32 0.00 0.00 176.35 173.92 3kef s SER 162 N -0.16 0.88 0.10 3.68 1.04 -0.97 -1.08 113.70 117.19 3kef s SER 162 Ca -0.00 -1.07 0.02 0.00 0.48 0.00 0.00 55.95 55.38 3kef s SER 162 Cb -0.02 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.22 3kef s SER 162 CO -0.00 -0.56 -0.08 0.72 0.98 0.00 0.00 173.24 174.30 3kef s PHE 163 N -3.76 0.95 0.18 5.02 -0.12 -0.21 -0.59 117.98 119.44 3kef s PHE 163 Ca 0.15 -0.82 -0.05 0.00 -0.05 0.00 0.00 56.93 56.16 3kef s PHE 163 Cb 0.06 -0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 41.90 3kef s PHE 163 CO -0.03 -0.09 0.21 -1.64 -0.05 0.00 0.00 175.22 173.62 3kef s MET 164 N -3.49 1.17 0.16 1.99 -1.94 -0.29 -4.48 119.30 112.42 3kef s MET 164 Ca 0.10 -1.39 0.01 0.00 -1.71 0.00 0.00 55.69 52.70 3kef s MET 164 Cb 0.03 0.32 -0.04 0.00 2.01 0.00 0.00 34.83 37.15 3kef s MET 164 CO -0.03 -0.40 0.02 0.95 -0.01 0.00 0.00 175.02 175.55 3kef s THR 165 N -4.05 0.49 0.50 2.05 -4.23 -1.26 -1.08 115.64 108.05 3kef s THR 165 Ca 0.26 -1.96 -0.20 0.00 -1.18 0.00 0.00 61.69 58.62 3kef s THR 165 Cb 0.05 -2.11 -0.08 0.00 1.34 0.00 0.00 72.50 71.71 3kef s THR 165 CO 0.05 -0.46 1.07 -1.58 -0.54 0.00 0.00 174.62 173.16 3kef s GLN 166 N -3.96 3.66 0.35 3.99 0.74 -0.16 -4.64 119.66 119.64 3kef s GLN 166 Ca 0.24 1.44 0.26 0.00 0.05 0.00 0.00 55.36 57.34 3kef s GLN 166 Cb 0.07 -2.07 0.73 0.00 1.10 0.00 0.00 33.01 32.84 3kef s GLN 166 CO 0.03 -0.56 1.74 1.79 -0.55 0.00 0.00 175.29 177.74 3kef h THR 167 N 1.44 0.00 -0.29 -0.34 1.35 -1.92 -3.35 112.91 109.79 3kef h THR 167 Ca -0.50 -0.65 -0.10 0.00 -0.55 0.00 0.00 66.41 64.61 3kef h THR 167 Cb 1.23 1.62 -0.06 0.00 -1.73 0.00 0.00 68.15 69.21 3kef h THR 167 CO 0.58 0.00 -0.05 0.35 -0.25 0.00 0.00 175.52 176.16 3kef n THR 168 N -2.70 2.41 -1.90 6.82 -2.24 -1.26 -2.04 114.28 113.37 3kef n THR 168 Ca 0.04 -2.41 -0.29 0.00 -2.27 0.00 0.00 64.05 59.12 3kef n THR 168 Cb 0.43 -0.29 0.09 0.00 -2.10 0.00 0.00 70.33 68.45 3kef n THR 168 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kef s LEU 169 N -3.07 2.52 -0.03 3.22 1.43 -1.26 -4.05 118.68 117.45 3kef s LEU 169 Ca 0.43 0.80 -0.30 0.00 -1.03 0.00 0.00 54.13 54.02 3kef s LEU 169 Cb 0.37 -3.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.24 3kef s LEU 169 CO 0.03 -1.88 1.40 -0.55 0.23 0.00 0.00 176.35 175.58 3kef s SER 170 N -4.57 6.85 0.17 2.29 0.15 -1.26 -4.91 113.70 112.42 3kef s SER 170 Ca 0.62 2.06 -0.14 0.00 0.70 0.00 0.00 55.95 59.19 3kef s SER 170 Cb -0.11 -2.56 0.10 0.00 -1.71 0.00 0.00 66.02 61.75 3kef s SER 170 CO 0.49 -0.74 1.79 0.58 1.20 0.00 0.00 173.24 176.57 3kef h VAL 171 N 5.05 0.99 -0.11 4.45 2.07 -1.94 -1.19 116.25 125.57 3kef h VAL 171 Ca -0.37 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3kef h VAL 171 Cb 1.17 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3kef h VAL 171 CO 0.91 0.09 0.02 0.44 0.02 0.00 0.00 177.57 179.06 3kef h ASP 172 N 0.51 0.18 -0.76 0.57 3.32 -2.00 -1.90 116.42 116.33 3kef h ASP 172 Ca 0.20 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3kef h ASP 172 Cb 0.08 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 3kef h ASP 172 CO -0.12 0.37 0.39 0.44 -1.72 0.00 0.00 179.24 178.60 3kef h ASP 173 N -0.03 0.98 -0.61 6.45 3.45 -1.94 -2.48 116.42 122.23 3kef h ASP 173 Ca 0.04 -0.12 -0.05 0.00 0.43 0.00 0.00 57.03 57.33 3kef h ASP 173 Cb 0.27 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.76 3kef h ASP 173 CO 0.00 0.82 0.22 0.74 -1.57 0.00 0.00 179.24 179.45 3kef h THR 174 N 1.07 1.24 -0.92 0.35 2.02 -1.16 -1.93 112.91 113.57 3kef h THR 174 Ca 0.27 -0.80 0.03 0.00 0.77 0.00 0.00 66.41 66.68 3kef h THR 174 Cb 0.08 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 3kef h THR 174 CO -0.04 0.31 0.61 -1.28 0.37 0.00 0.00 175.52 175.49 3kef h SER 175 N 0.94 1.01 -0.11 4.18 0.87 -0.90 -0.45 113.55 119.10 3kef h SER 175 Ca 0.21 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.65 3kef h SER 175 Cb 0.25 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3kef h SER 175 CO -0.01 0.70 -0.29 0.44 -0.53 0.00 0.00 176.83 177.14 3kef h ASP 176 N 1.18 0.59 -0.34 6.23 3.45 -1.05 -1.29 116.42 125.19 3kef h ASP 176 Ca 0.36 -0.22 -0.10 0.00 0.43 0.00 0.00 57.03 57.49 3kef h ASP 176 Cb -0.02 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 3kef h ASP 176 CO -0.10 0.86 -0.19 0.58 -1.57 0.00 0.00 179.24 178.82 3kef h VAL 177 N 0.50 1.29 -0.68 -1.35 2.07 -0.71 -2.33 116.25 115.04 3kef h VAL 177 Ca 0.06 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 3kef h VAL 177 Cb 0.76 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 3kef h VAL 177 CO 0.06 0.43 0.21 0.40 0.02 0.00 0.00 177.57 178.68 3kef h ILE 178 N 0.50 1.25 -0.81 4.57 2.04 -0.95 0.19 117.51 124.30 3kef h ILE 178 Ca 0.07 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 3kef h ILE 178 Cb 0.73 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3kef h ILE 178 CO 0.05 0.34 0.46 0.44 0.00 0.00 0.00 178.15 179.45 3kef h ASP 179 N 1.01 0.99 -0.34 1.72 3.45 -1.14 -0.82 116.42 121.28 3kef h ASP 179 Ca 0.22 -0.08 -0.03 0.00 0.43 0.00 0.00 57.03 57.57 3kef h ASP 179 Cb 0.29 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.80 3kef h ASP 179 CO -0.01 0.78 0.09 0.00 -1.57 0.00 0.00 179.24 178.54 3kef h ALA 180 N 1.25 0.45 -0.69 3.45 0.00 -0.84 -2.14 119.26 120.73 3kef h ALA 180 Ca 0.29 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3kef h ALA 180 Cb -0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3kef h ALA 180 CO -0.05 0.10 0.41 -0.07 0.00 0.00 0.00 179.25 179.64 3kef h LEU 181 N 0.39 0.66 -1.06 0.00 3.38 -0.43 -0.19 115.31 118.07 3kef h LEU 181 Ca 0.11 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3kef h LEU 181 Cb 0.27 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3kef h LEU 181 CO -0.00 0.45 -0.20 0.03 0.09 0.00 0.00 178.44 178.81 3kef h ARG 182 N 0.80 0.00 0.12 1.13 3.08 -1.04 0.41 114.38 118.88 3kef h ARG 182 Ca 0.29 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.07 3kef h ARG 182 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3kef h ARG 182 CO -0.13 0.20 -1.24 -0.22 -1.07 0.00 0.00 179.97 177.51 3kef h LYS 183 N 0.00 0.25 0.17 0.04 3.64 -0.71 -3.01 116.57 116.95 3kef h LYS 183 Ca -0.00 -0.43 -0.25 0.00 -1.27 0.00 0.00 60.65 58.70 3kef h LYS 183 Cb 0.76 0.16 0.02 0.00 -0.41 0.00 0.00 32.23 32.76 3kef h LYS 183 CO 0.03 1.20 -1.12 -0.09 -2.27 0.00 0.00 179.45 177.20 3kef h ARG 184 N 0.07 0.36 -2.79 1.90 9.65 -0.82 -3.40 114.38 119.35 3kef h ARG 184 Ca -0.13 -0.62 -0.61 0.00 -1.10 0.00 0.00 59.98 57.52 3kef h ARG 184 Cb 1.96 0.23 -0.41 0.00 -1.39 0.00 0.00 29.97 30.37 3kef h ARG 184 CO 0.20 1.30 -0.71 1.19 2.80 0.00 0.00 179.97 184.75 3kef n PHE 185 N -3.96 1.93 0.25 2.20 3.01 0.14 -4.98 117.46 116.04 3kef n PHE 185 Ca -0.17 -3.98 0.16 0.00 1.01 0.00 0.00 57.45 54.47 3kef n PHE 185 Cb 0.92 -0.35 0.73 0.00 -0.01 0.00 0.00 39.48 40.78 3kef n PHE 185 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3kef h PRO 186 N 5.35 0.00 -0.12 -1.08 0.13 -1.73 -0.48 132.00 134.07 3kef h PRO 186 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3kef h PRO 186 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3kef h PRO 186 CO 0.61 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.01 3kef n LYS 187 N -3.12 2.06 -1.95 0.86 4.76 -1.26 -4.96 118.16 114.54 3kef n LYS 187 Ca 0.02 -1.56 -0.40 0.00 -2.87 0.00 0.00 58.31 53.49 3kef n LYS 187 Cb 0.53 -1.46 -0.00 0.00 -1.84 0.00 0.00 35.03 32.25 3kef n LYS 187 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 3kef s ILE 188 N -1.86 2.38 0.14 -0.18 2.07 -0.19 -4.68 121.20 118.89 3kef s ILE 188 Ca 0.34 0.36 0.10 0.00 -1.41 0.00 0.00 60.65 60.05 3kef s ILE 188 Cb 0.20 -3.22 -0.04 0.00 0.13 0.00 0.00 42.46 39.53 3kef s ILE 188 CO 0.31 0.07 -0.23 0.68 -1.91 0.00 0.00 174.94 173.86 3kef s VAL 189 N -1.18 2.51 0.00 4.00 -7.23 -0.24 -4.98 120.40 113.28 3kef s VAL 189 Ca 0.54 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 3kef s VAL 189 Cb -0.42 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.37 3kef s VAL 189 CO 0.55 0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.99 3kef n GLY 190 N 0.70 1.54 3.69 2.32 0.00 -1.26 -1.05 105.19 111.13 3kef n GLY 190 Ca -0.16 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 3kef n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kef s PRO 191 N 0.31 0.02 0.19 1.61 0.04 -1.26 -4.94 135.00 130.97 3kef s PRO 191 Ca 0.00 0.18 -0.12 0.00 0.04 0.00 0.00 61.00 61.09 3kef s PRO 191 Cb 0.00 -1.72 0.16 0.00 0.04 0.00 0.00 34.50 32.98 3kef s PRO 191 CO 0.00 -2.93 1.79 0.00 0.04 0.00 0.00 177.00 175.90 3kef h ARG 192 N -2.02 0.51 0.00 4.56 3.08 -2.01 -3.41 114.38 115.08 3kef h ARG 192 Ca -0.50 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.52 3kef h ARG 192 Cb 1.31 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3kef h ARG 192 CO 0.49 0.34 0.00 1.17 -1.07 0.00 0.00 179.97 180.90 3kef n LYS 193 N -4.87 0.00 -2.21 0.04 4.81 -1.26 -5.16 118.16 109.50 3kef n LYS 193 Ca 0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.48 3kef n LYS 193 Cb 0.14 -0.31 0.01 0.00 0.02 0.00 0.00 35.03 34.89 3kef n LYS 193 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3kef n ASP 194 N -3.29 -0.56 -0.90 3.14 5.68 -1.26 -4.99 116.55 114.37 3kef n ASP 194 Ca 0.00 -1.29 0.07 0.00 -0.50 0.00 0.00 54.79 53.07 3kef n ASP 194 Cb 0.00 0.91 0.23 0.00 -1.14 0.00 0.00 41.12 41.12 3kef n ASP 194 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3kef n ASP 195 N -0.81 3.62 -4.71 -1.12 10.43 -1.26 -4.86 116.55 117.84 3kef n ASP 195 Ca -0.01 -2.46 -0.42 0.00 2.57 0.00 0.00 54.79 54.48 3kef n ASP 195 Cb 0.19 -0.41 -0.03 0.00 1.84 0.00 0.00 41.12 42.71 3kef n ASP 195 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3kef s ILE 196 N -1.82 3.10 0.83 0.53 1.01 -1.26 -4.21 121.20 119.38 3kef s ILE 196 Ca 0.35 0.71 -0.11 0.00 0.00 0.00 0.00 60.65 61.60 3kef s ILE 196 Cb 0.24 -3.46 0.09 0.00 0.01 0.00 0.00 42.46 39.34 3kef s ILE 196 CO 0.15 0.04 1.09 0.00 0.00 0.00 0.00 174.94 176.22 3kef h TYR 198 N -1.28 0.91 -0.62 0.00 -0.00 -1.93 -1.60 116.97 112.45 3kef h TYR 198 Ca -0.48 0.03 -0.02 0.00 0.00 0.00 0.00 58.73 58.26 3kef h TYR 198 Cb 1.27 -0.29 -0.03 0.00 0.00 0.00 0.00 36.73 37.68 3kef h TYR 198 CO 0.47 0.41 0.31 0.00 -0.00 0.00 0.00 178.16 179.35 3kef h ALA 199 N 1.44 0.80 -0.13 0.10 0.00 -1.95 0.15 119.26 119.66 3kef h ALA 199 Ca 0.39 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3kef h ALA 199 Cb 0.30 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kef h ALA 199 CO -0.22 0.35 -0.02 1.15 0.00 0.00 0.00 179.25 180.51 3kef h THR 200 N 0.85 1.27 -0.43 0.00 2.02 -1.74 -0.98 112.91 113.91 3kef h THR 200 Ca 0.22 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.49 3kef h THR 200 Cb 0.09 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 3kef h THR 200 CO -0.03 0.27 0.28 0.74 0.37 0.00 0.00 175.52 177.15 3kef h THR 201 N -0.04 1.11 -0.60 3.16 2.02 -1.14 -1.97 112.91 115.45 3kef h THR 201 Ca 0.04 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 3kef h THR 201 Cb 0.42 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3kef h THR 201 CO 0.01 0.11 0.13 0.78 0.37 0.00 0.00 175.52 176.92 3kef h ASN 202 N 0.58 0.93 0.33 4.18 2.35 -0.65 -1.70 115.58 121.60 3kef h ASN 202 Ca 0.16 -0.24 -0.12 0.00 -0.55 0.00 0.00 56.30 55.55 3kef h ASN 202 Cb -0.07 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 3kef h ASN 202 CO -0.03 0.93 -0.49 0.03 -1.65 0.00 0.00 177.43 176.21 3kef h ARG 203 N 0.88 0.19 -0.20 0.81 3.08 -1.05 -0.32 114.38 117.77 3kef h ARG 203 Ca 0.19 -0.11 -0.17 0.00 0.07 0.00 0.00 59.98 59.96 3kef h ARG 203 Cb 0.37 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 3kef h ARG 203 CO 0.00 0.64 -0.57 1.96 -1.07 0.00 0.00 179.97 180.94 3kef h GLN 204 N 0.15 0.64 -0.58 0.04 4.20 -1.21 0.19 115.11 118.55 3kef h GLN 204 Ca 0.01 -0.42 -0.07 0.00 0.06 0.00 0.00 58.65 58.23 3kef h GLN 204 Cb 0.92 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 3kef h GLN 204 CO 0.07 1.03 0.08 1.49 -0.67 0.00 0.00 178.83 180.84 3kef h GLU 205 N 0.49 0.98 -0.54 1.46 4.81 -1.09 -2.19 114.58 118.48 3kef h GLU 205 Ca 0.00 -0.27 -0.11 0.00 -0.13 0.00 0.00 59.36 58.85 3kef h GLU 205 Cb 1.14 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 3kef h GLU 205 CO 0.11 0.93 -0.09 0.00 -0.73 0.00 0.00 179.01 179.24 3kef h ALA 206 N 1.00 0.81 0.00 2.92 0.00 -0.82 -2.67 119.26 120.50 3kef h ALA 206 Ca 0.17 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3kef h ALA 206 Cb 0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3kef h ALA 206 CO 0.01 0.67 -0.41 -0.24 0.00 0.00 0.00 179.25 179.28 3kef h VAL 207 N 0.90 0.86 -0.38 0.00 3.04 -0.86 -1.61 116.25 118.20 3kef h VAL 207 Ca 0.14 -1.71 -0.08 0.00 -1.01 0.00 0.00 66.70 64.05 3kef h VAL 207 Cb 0.65 2.07 -0.01 0.00 -2.01 0.00 0.00 31.29 31.98 3kef h VAL 207 CO 0.04 0.40 -0.06 -0.09 -1.01 0.00 0.00 177.57 176.86 3kef h ARG 208 N 0.00 0.72 -0.62 4.17 2.43 -1.22 0.11 114.38 119.97 3kef h ARG 208 Ca -0.00 -0.26 -0.08 0.00 -0.81 0.00 0.00 59.98 58.83 3kef h ARG 208 Cb 1.04 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 3kef h ARG 208 CO 0.05 0.84 0.07 0.00 -1.51 0.00 0.00 179.97 179.43 3kef h ALA 209 N 0.85 0.83 -0.44 2.80 0.00 -1.29 -2.76 119.26 119.24 3kef h ALA 209 Ca 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3kef h ALA 209 Cb 0.56 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3kef h ALA 209 CO 0.03 0.61 0.18 1.25 0.00 0.00 0.00 179.25 181.33 3kef h LEU 210 N 0.96 0.61 -1.82 0.00 5.85 -1.10 -3.05 115.31 116.75 3kef h LEU 210 Ca 0.18 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3kef h LEU 210 Cb 0.47 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3kef h LEU 210 CO 0.02 0.60 -0.14 0.00 -0.34 0.00 0.00 178.44 178.58 3kef h ALA 211 N 1.03 1.58 -0.02 1.25 0.00 -0.78 -0.19 119.26 122.12 3kef h ALA 211 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kef h ALA 211 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kef h ALA 211 CO -0.01 0.17 0.00 -0.85 0.00 0.00 0.00 179.25 178.56 3kef n GLU 212 N -4.09 1.06 0.00 0.00 0.28 -1.06 -3.63 120.64 113.19 3kef n GLU 212 Ca -0.02 -0.09 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 3kef n GLU 212 Cb 0.22 -1.19 0.00 0.00 1.43 0.00 0.00 31.44 31.90 3kef n GLU 212 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3kef n GLN 213 N -0.60 0.67 -3.39 3.44 6.02 -0.76 -5.07 117.38 117.69 3kef n GLN 213 Ca 0.09 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.76 3kef n GLN 213 Cb 0.06 -0.85 -0.05 0.00 1.02 0.00 0.00 30.24 30.41 3kef n GLN 213 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kef s ALA 214 N -1.70 3.55 -0.03 -1.58 0.00 -0.16 -4.88 121.76 116.96 3kef s ALA 214 Ca 0.00 -0.24 0.11 0.00 0.00 0.00 0.00 51.96 51.84 3kef s ALA 214 Cb 0.00 -2.47 -0.23 0.00 0.00 0.00 0.00 23.12 20.42 3kef s ALA 214 CO 0.00 0.49 0.73 0.93 0.00 0.00 0.00 175.76 177.91 3kef h GLU 215 N 2.58 0.01 -4.86 0.00 5.08 -1.37 -3.44 114.58 112.58 3kef h GLU 215 Ca -0.47 -0.02 -0.40 0.00 -1.00 0.00 0.00 59.36 57.47 3kef h GLU 215 Cb 1.17 0.01 -0.28 0.00 0.50 0.00 0.00 28.75 30.15 3kef h GLU 215 CO 0.69 0.57 -0.78 0.08 -1.00 0.00 0.00 179.01 178.57 3kef s VAL 216 N -2.61 0.80 -0.07 3.13 1.01 -1.23 -3.40 120.40 118.03 3kef s VAL 216 Ca -0.04 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.44 3kef s VAL 216 Cb 0.08 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.78 3kef s VAL 216 CO 0.82 0.16 -0.18 -0.69 0.00 0.00 0.00 175.10 175.21 3kef s VAL 217 N -0.37 1.58 -0.19 2.92 1.01 -0.34 -0.19 120.40 124.82 3kef s VAL 217 Ca 0.03 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 3kef s VAL 217 Cb -0.05 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3kef s VAL 217 CO -0.00 0.45 -0.04 -0.76 0.00 0.00 0.00 175.10 174.75 3kef s LEU 218 N 0.41 3.09 -0.29 3.92 1.43 0.37 -1.25 118.68 126.36 3kef s LEU 218 Ca -0.14 -0.25 -0.06 0.00 -1.03 0.00 0.00 54.13 52.64 3kef s LEU 218 Cb -0.16 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.31 3kef s LEU 218 CO 0.06 0.08 0.07 -0.69 0.23 0.00 0.00 176.35 176.09 3kef s VAL 219 N 0.89 3.87 -0.27 -1.59 1.01 0.58 -1.23 120.40 123.66 3kef s VAL 219 Ca -0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 3kef s VAL 219 Cb -0.15 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.26 3kef s VAL 219 CO 0.01 0.10 1.07 -0.69 0.00 0.00 0.00 175.10 175.59 3kef s VAL 220 N 1.49 4.58 0.00 2.92 1.01 -0.17 -0.92 120.40 129.30 3kef s VAL 220 Ca 0.02 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.87 3kef s VAL 220 Cb -0.17 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 31.85 3kef s VAL 220 CO 0.02 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.39 3kef n GLY 221 N 3.62 1.72 3.87 4.51 0.00 0.27 -0.81 105.19 118.36 3kef n GLY 221 Ca 0.12 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 3kef n GLY 221 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kef s SER 222 N 0.00 6.41 0.57 1.61 0.01 -1.26 -3.84 113.70 117.20 3kef s SER 222 Ca 0.00 1.34 0.26 0.00 1.31 0.00 0.00 55.95 58.86 3kef s SER 222 Cb 0.00 -2.42 1.58 0.00 0.21 0.00 0.00 66.02 65.39 3kef s SER 222 CO 0.00 -0.66 2.14 0.11 0.41 0.00 0.00 173.24 175.25 3kef h LYS 223 N 0.42 0.00 -0.64 12.44 6.56 -1.94 -1.92 116.57 131.49 3kef h LYS 223 Ca -0.46 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 3kef h LYS 223 Cb 1.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 3kef h LYS 223 CO 0.62 0.00 0.00 0.27 -2.06 0.00 0.00 179.45 178.28 3kef n ASN 224 N -4.06 3.53 -4.56 0.86 6.94 -1.26 -4.85 115.26 111.86 3kef n ASN 224 Ca 0.00 -2.06 -0.43 0.00 -0.02 0.00 0.00 54.58 52.08 3kef n ASN 224 Cb 0.24 -0.44 -0.06 0.00 -2.36 0.00 0.00 39.78 37.16 3kef n ASN 224 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3kef s SER 225 N -0.97 6.44 0.09 0.53 0.15 -0.72 -4.91 113.70 114.30 3kef s SER 225 Ca 0.43 0.04 -0.29 0.00 0.70 0.00 0.00 55.95 56.82 3kef s SER 225 Cb 0.23 -2.37 -0.15 0.00 -1.71 0.00 0.00 66.02 62.02 3kef s SER 225 CO 0.28 -0.80 1.65 -1.28 1.20 0.00 0.00 173.24 174.28 3kef h SER 226 N 8.75 -0.64 -0.66 5.45 0.87 -1.88 -1.38 113.55 124.06 3kef h SER 226 Ca -0.25 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.36 3kef h SER 226 Cb 1.09 0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 63.22 3kef h SER 226 CO 0.92 -0.39 0.43 -0.55 -0.53 0.00 0.00 176.83 176.71 3kef h ASN 227 N -0.62 0.75 -0.41 6.23 7.08 -1.93 -1.56 115.58 125.12 3kef h ASN 227 Ca -0.04 -0.02 -0.05 0.00 -3.08 0.00 0.00 56.30 53.12 3kef h ASN 227 Cb 0.52 -0.19 -0.02 0.00 -2.08 0.00 0.00 38.32 36.55 3kef h ASN 227 CO 0.03 0.54 0.07 0.28 -2.08 0.00 0.00 177.43 176.27 3kef h SER 228 N 0.88 0.65 -0.78 6.14 0.02 -1.85 -2.59 113.55 116.03 3kef h SER 228 Ca 0.24 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3kef h SER 228 Cb -0.10 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.23 3kef h SER 228 CO -0.05 0.74 0.49 0.78 -1.14 0.00 0.00 176.83 177.65 3kef h ASN 229 N 0.53 0.92 0.31 3.07 4.21 -0.63 -1.89 115.58 122.11 3kef h ASN 229 Ca 0.13 -0.04 -0.07 0.00 1.21 0.00 0.00 56.30 57.53 3kef h ASN 229 Cb 0.36 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.32 3kef h ASN 229 CO 0.01 0.69 -0.31 0.03 -1.29 0.00 0.00 177.43 176.55 3kef h ARG 230 N 1.07 0.00 -0.18 0.81 -0.00 -0.99 -1.21 114.38 113.88 3kef h ARG 230 Ca 0.28 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.72 3kef h ARG 230 Cb -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.89 3kef h ARG 230 CO -0.06 0.32 -0.06 -0.07 0.00 0.00 0.00 179.97 180.10 3kef h LEU 231 N 0.00 0.36 -0.53 3.04 4.07 -0.98 -1.27 115.31 120.01 3kef h LEU 231 Ca -0.00 -0.39 -0.03 0.00 0.08 0.00 0.00 57.88 57.54 3kef h LEU 231 Cb 0.56 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 3kef h LEU 231 CO 0.04 0.67 0.20 0.00 -1.08 0.00 0.00 178.44 178.27 3kef h ALA 232 N 0.71 0.68 -0.58 1.53 0.00 -1.28 -2.73 119.26 117.60 3kef h ALA 232 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3kef h ALA 232 Cb 0.52 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3kef h ALA 232 CO 0.02 0.30 0.38 1.49 0.00 0.00 0.00 179.25 181.44 3kef h GLU 233 N 0.71 0.76 -0.72 0.00 4.81 -1.18 -0.94 114.58 118.03 3kef h GLU 233 Ca 0.17 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3kef h GLU 233 Cb 0.21 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 3kef h GLU 233 CO -0.01 0.51 0.48 1.25 -0.73 0.00 0.00 179.01 180.51 3kef h LEU 234 N 0.78 0.82 -0.52 1.64 6.46 -1.05 -0.41 115.31 123.03 3kef h LEU 234 Ca 0.21 -0.02 -0.13 0.00 -0.12 0.00 0.00 57.88 57.82 3kef h LEU 234 Cb -0.08 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.64 3kef h LEU 234 CO -0.04 0.59 -0.19 0.00 -0.62 0.00 0.00 178.44 178.18 3kef h ALA 235 N 1.27 0.72 -0.44 1.25 0.00 -1.17 -2.93 119.26 117.96 3kef h ALA 235 Ca 0.27 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3kef h ALA 235 Cb -0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3kef h ALA 235 CO -0.06 0.67 0.05 1.96 0.00 0.00 0.00 179.25 181.87 3kef h GLN 236 N 0.87 0.69 0.00 0.00 4.20 -0.68 -1.67 115.11 118.52 3kef h GLN 236 Ca 0.12 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3kef h GLN 236 Cb 0.76 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 3kef h GLN 236 CO 0.06 0.68 -0.07 0.00 -0.67 0.00 0.00 178.83 178.83 3kef h ARG 237 N 0.66 0.00 -0.26 1.46 3.08 -0.93 -1.62 114.38 116.78 3kef h ARG 237 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3kef h ARG 237 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3kef h ARG 237 CO 0.01 0.07 0.00 -1.33 -1.07 0.00 0.00 179.97 177.65 3kef n MET 238 N -3.24 1.71 -0.82 0.04 2.81 -0.66 -4.90 117.12 112.06 3kef n MET 238 Ca -0.00 -1.09 0.00 0.00 -1.81 0.00 0.00 57.70 54.80 3kef n MET 238 Cb 0.30 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 3kef n MET 238 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kef n GLY 239 N 1.04 0.53 3.61 3.03 0.00 -0.61 -5.06 105.19 107.74 3kef n GLY 239 Ca 0.13 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 3kef n GLY 239 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kef s LYS 240 N -1.12 3.15 0.04 1.61 -0.14 -1.00 -5.03 119.74 117.26 3kef s LYS 240 Ca 0.00 -0.46 -0.30 0.00 -1.36 0.00 0.00 55.97 53.84 3kef s LYS 240 Cb 0.00 -2.80 -0.08 0.00 -1.68 0.00 0.00 37.83 33.27 3kef s LYS 240 CO 0.00 0.56 1.65 1.03 -0.76 0.00 0.00 175.35 177.83 3kef s ARG 241 N -0.50 4.20 -0.02 1.68 0.52 -1.22 -3.63 118.95 119.98 3kef s ARG 241 Ca 0.08 2.29 0.04 0.00 -0.52 0.00 0.00 55.73 57.62 3kef s ARG 241 Cb -0.12 -3.69 -0.01 0.00 0.52 0.00 0.00 34.95 31.66 3kef s ARG 241 CO 0.02 -0.75 -0.14 0.00 0.02 0.00 0.00 175.30 174.45 3kef s ALA 242 N 2.94 1.18 -0.03 2.13 0.00 -1.26 -1.19 121.76 125.53 3kef s ALA 242 Ca 0.74 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.17 3kef s ALA 242 Cb -0.38 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.38 3kef s ALA 242 CO 0.32 0.25 -0.14 -0.06 0.00 0.00 0.00 175.76 176.12 3kef s PHE 243 N -0.12 1.42 -0.28 0.00 0.40 -0.38 -4.97 117.98 114.06 3kef s PHE 243 Ca 0.01 -0.36 -0.16 0.00 -0.60 0.00 0.00 56.93 55.82 3kef s PHE 243 Cb -0.08 -0.96 -0.03 0.00 0.51 0.00 0.00 43.02 42.46 3kef s PHE 243 CO 0.00 -0.11 0.40 -1.17 0.70 0.00 0.00 175.22 175.04 3kef s LEU 244 N -0.01 4.08 0.06 -0.37 2.96 -1.26 -0.30 118.68 123.83 3kef s LEU 244 Ca -0.01 0.28 0.05 0.00 -0.22 0.00 0.00 54.13 54.22 3kef s LEU 244 Cb -0.09 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.10 3kef s LEU 244 CO 0.01 -0.22 -0.13 0.27 -1.32 0.00 0.00 176.35 174.95 3kef s ILE 245 N 2.12 1.03 0.02 6.68 -0.00 -0.10 -4.94 121.20 126.01 3kef s ILE 245 Ca 0.16 -1.16 0.01 0.00 -0.00 0.00 0.00 60.65 59.66 3kef s ILE 245 Cb -0.16 -0.99 -0.26 0.00 -0.00 0.00 0.00 42.46 41.06 3kef s ILE 245 CO 0.10 -0.16 0.91 0.44 -0.00 0.00 0.00 174.94 176.23 3kef h ASP 246 N 4.55 0.27 -5.04 4.36 3.32 -1.86 0.78 116.42 122.80 3kef h ASP 246 Ca -0.39 -0.37 0.02 0.00 0.02 0.00 0.00 57.03 56.31 3kef h ASP 246 Cb 1.19 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.62 3kef h ASP 246 CO 0.42 1.31 0.20 1.51 -1.72 0.00 0.00 179.24 180.96 3kef s ASP 247 N -6.81 -0.12 0.59 6.45 1.47 -1.26 -4.74 116.67 112.24 3kef s ASP 247 Ca -0.07 -0.85 0.28 0.00 1.18 0.00 0.00 52.55 53.10 3kef s ASP 247 Cb 0.08 0.76 1.57 0.00 -0.34 0.00 0.00 42.92 44.99 3kef s ASP 247 CO 0.84 -1.45 2.02 0.00 0.68 0.00 0.00 175.17 177.27 3kef h ALA 248 N 2.02 1.97 0.00 2.11 0.00 -1.85 -1.22 119.26 122.30 3kef h ALA 248 Ca -0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3kef h ALA 248 Cb 1.25 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3kef h ALA 248 CO 0.31 -0.46 -0.09 0.87 0.00 0.00 0.00 179.25 179.88 3kef h LYS 249 N 0.00 0.00 0.00 0.00 1.57 -1.96 -2.55 116.57 113.64 3kef h LYS 249 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3kef h LYS 249 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3kef h LYS 249 CO -0.00 0.09 0.00 -0.25 -0.57 0.00 0.00 179.45 178.72 3kef n ASP 250 N -3.51 0.54 -4.69 0.86 8.00 -0.46 -4.83 116.55 112.45 3kef n ASP 250 Ca -0.02 0.55 -0.42 0.00 0.71 0.00 0.00 54.79 55.61 3kef n ASP 250 Cb 0.22 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 40.60 3kef n ASP 250 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kef s ILE 251 N -3.07 3.58 -0.15 0.53 -1.09 -0.96 -5.01 121.20 115.04 3kef s ILE 251 Ca 0.12 0.98 -0.07 0.00 -2.23 0.00 0.00 60.65 59.44 3kef s ILE 251 Cb 0.15 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.36 3kef s ILE 251 CO 0.57 -0.00 0.11 -1.10 -1.23 0.00 0.00 174.94 173.28 3kef s GLN 252 N 2.46 3.66 0.25 2.79 -0.21 -1.26 -5.01 119.66 122.34 3kef s GLN 252 Ca 0.66 -0.23 -0.04 0.00 0.02 0.00 0.00 55.36 55.77 3kef s GLN 252 Cb -0.33 -3.20 0.49 0.00 1.00 0.00 0.00 33.01 30.97 3kef s GLN 252 CO 0.28 0.56 1.71 0.93 -2.12 0.00 0.00 175.29 176.64 3kef h GLU 253 N 5.73 0.35 -0.32 2.91 5.08 -2.00 -1.31 114.58 125.02 3kef h GLU 253 Ca -0.48 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 57.96 3kef h GLU 253 Cb 1.19 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3kef h GLU 253 CO 0.64 0.23 0.26 1.49 -1.00 0.00 0.00 179.01 180.63 3kef h GLU 254 N 0.36 0.00 -0.73 2.33 4.22 -1.97 -1.86 114.58 116.92 3kef h GLU 254 Ca 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.87 3kef h GLU 254 Cb 0.71 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 3kef h GLU 254 CO -0.46 0.00 0.45 -1.49 -2.18 0.00 0.00 179.01 175.32 3kef h TRP 255 N 0.00 0.95 -0.34 0.92 6.55 -1.65 -2.64 115.95 119.74 3kef h TRP 255 Ca 0.15 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.00 3kef h TRP 255 Cb 0.67 -0.32 0.00 0.00 -0.86 0.00 0.00 29.16 28.65 3kef h TRP 255 CO 0.00 0.63 0.00 1.33 -1.05 0.00 0.00 178.44 179.35 3kef n VAL 256 N -4.39 1.71 -1.63 1.49 0.24 -0.77 -4.91 118.33 110.07 3kef n VAL 256 Ca 0.08 -1.43 -0.45 0.00 -2.04 0.00 0.00 64.34 60.50 3kef n VAL 256 Cb 0.06 0.10 -0.04 0.00 -1.47 0.00 0.00 33.84 32.50 3kef n VAL 256 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kef n LYS 257 N 0.11 2.31 -2.30 7.34 4.81 -0.81 -1.80 118.16 127.82 3kef n LYS 257 Ca 0.18 0.78 -0.17 0.00 -0.87 0.00 0.00 58.31 58.23 3kef n LYS 257 Cb 0.70 -2.95 -0.02 0.00 0.02 0.00 0.00 35.03 32.78 3kef n LYS 257 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3kef n GLU 258 N 7.75 -1.85 -3.27 1.64 1.02 -1.26 -4.96 120.64 119.72 3kef n GLU 258 Ca 0.25 0.86 -0.38 0.00 -0.02 0.00 0.00 57.16 57.87 3kef n GLU 258 Cb 0.38 -5.46 -0.06 0.00 -0.02 0.00 0.00 31.44 26.29 3kef n GLU 258 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kef s VAL 259 N -2.81 5.12 -0.29 2.62 1.01 -0.75 -4.97 120.40 120.33 3kef s VAL 259 Ca 0.00 1.06 0.23 0.00 0.00 0.00 0.00 61.98 63.27 3kef s VAL 259 Cb 0.00 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.58 3kef s VAL 259 CO 0.00 0.34 1.15 0.11 0.00 0.00 0.00 175.10 176.70 3kef h LYS 260 N 6.47 0.00 -2.34 2.72 1.57 -1.92 -3.41 116.57 119.65 3kef h LYS 260 Ca -0.42 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.22 3kef h LYS 260 Cb 1.19 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.20 3kef h LYS 260 CO 0.74 0.00 -0.44 0.00 -0.57 0.00 0.00 179.45 179.18 3kef s VAL 262 N 2.56 3.05 0.03 0.00 0.11 -0.13 -1.02 120.40 124.99 3kef s VAL 262 Ca 0.04 -0.72 0.04 0.00 -2.93 0.00 0.00 61.98 58.41 3kef s VAL 262 Cb -0.13 -2.20 -0.04 0.00 -1.53 0.00 0.00 36.38 32.48 3kef s VAL 262 CO -0.13 0.58 -0.04 -0.83 -3.33 0.00 0.00 175.10 171.34 3kef s GLY 263 N -0.57 1.81 -0.03 6.54 0.00 0.73 -1.51 107.32 114.29 3kef s GLY 263 Ca 0.08 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.78 3kef s GLY 263 CO 0.01 -0.96 -0.12 0.14 0.00 0.00 0.00 173.10 172.18 3kef s VAL 264 N -1.10 1.03 0.34 1.40 1.01 0.48 -0.48 120.40 123.07 3kef s VAL 264 Ca 0.20 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.75 3kef s VAL 264 Cb -0.11 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 3kef s VAL 264 CO 0.11 0.31 0.31 0.28 0.00 0.00 0.00 175.10 176.11 3kef s THR 265 N 0.19 0.00 -0.07 3.92 -1.32 -0.37 -1.15 115.64 116.84 3kef s THR 265 Ca -0.04 -1.94 -0.12 0.00 -1.21 0.00 0.00 61.69 58.39 3kef s THR 265 Cb -0.10 -2.53 0.02 0.00 -1.51 0.00 0.00 72.50 68.38 3kef s THR 265 CO 0.01 0.00 0.29 0.00 -2.21 0.00 0.00 174.62 172.71 3kef s ALA 266 N -3.35 -0.72 0.96 11.08 0.00 -1.26 -1.00 121.76 127.47 3kef s ALA 266 Ca 0.39 0.60 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 3kef s ALA 266 Cb 0.02 -0.26 0.17 0.00 0.00 0.00 0.00 23.12 23.05 3kef s ALA 266 CO 0.27 -0.19 1.09 0.20 0.00 0.00 0.00 175.76 177.13 3kef s GLY 267 N -0.46 1.59 0.42 0.00 0.00 0.01 -0.92 107.32 107.97 3kef s GLY 267 Ca -0.06 -0.21 0.29 0.00 0.00 0.00 0.00 44.72 44.75 3kef s GLY 267 CO 0.02 0.36 1.88 0.00 0.00 0.00 0.00 173.10 175.35 3kef h ALA 268 N -1.79 1.00 -0.21 3.20 0.00 -1.91 -2.29 119.26 117.26 3kef h ALA 268 Ca -0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3kef h ALA 268 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kef h ALA 268 CO 0.56 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.68 3kef n SER 269 N -2.53 2.87 -4.59 0.00 3.41 -1.26 -2.74 113.62 108.78 3kef n SER 269 Ca -0.01 -1.84 -0.39 0.00 -0.26 0.00 0.00 58.87 56.36 3kef n SER 269 Cb 0.08 -0.13 -0.09 0.00 -0.26 0.00 0.00 64.21 63.81 3kef n SER 269 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kef s ALA 270 N -1.35 3.54 0.48 7.33 0.00 -0.86 -4.64 121.76 126.27 3kef s ALA 270 Ca 0.27 -0.93 -0.24 0.00 0.00 0.00 0.00 51.96 51.06 3kef s ALA 270 Cb 0.17 -2.73 -0.07 0.00 0.00 0.00 0.00 23.12 20.49 3kef s ALA 270 CO 0.24 -0.76 1.41 -2.14 0.00 0.00 0.00 175.76 174.51 3kef s PRO 271 N 2.05 3.50 0.47 0.00 0.02 -1.26 -3.71 135.00 136.06 3kef s PRO 271 Ca 0.14 2.37 0.13 0.00 0.02 0.00 0.00 61.00 63.66 3kef s PRO 271 Cb -0.16 -2.52 1.10 0.00 0.02 0.00 0.00 34.50 32.94 3kef s PRO 271 CO 0.11 -0.95 2.09 0.22 -0.33 0.00 0.00 177.00 178.13 3kef h ASP 272 N 2.03 0.21 -0.35 2.53 1.82 -1.98 -1.71 116.42 118.96 3kef h ASP 272 Ca -0.51 -0.00 0.06 0.00 -0.39 0.00 0.00 57.03 56.18 3kef h ASP 272 Cb 1.28 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 41.22 3kef h ASP 272 CO 0.60 0.15 0.24 -0.29 -1.61 0.00 0.00 179.24 178.33 3kef h ILE 273 N 0.25 0.95 -0.41 2.25 6.09 -1.99 0.15 117.51 124.79 3kef h ILE 273 Ca 0.10 -0.08 -0.12 0.00 -1.37 0.00 0.00 64.86 63.39 3kef h ILE 273 Cb 0.10 0.69 -0.01 0.00 0.47 0.00 0.00 36.82 38.06 3kef h ILE 273 CO -0.02 0.04 -0.22 -0.07 -3.07 0.00 0.00 178.15 174.81 3kef h LEU 274 N 0.24 0.84 -0.45 2.19 3.38 -1.67 -1.66 115.31 118.18 3kef h LEU 274 Ca 0.16 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 3kef h LEU 274 Cb 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3kef h LEU 274 CO -0.03 1.04 -0.15 0.58 0.09 0.00 0.00 178.44 179.96 3kef h VAL 275 N 0.72 1.27 -0.78 1.22 2.07 -1.10 -1.39 116.25 118.26 3kef h VAL 275 Ca 0.10 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 3kef h VAL 275 Cb 0.75 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 3kef h VAL 275 CO 0.06 0.44 0.42 1.56 0.02 0.00 0.00 177.57 180.07 3kef h GLN 276 N 0.75 1.08 -0.05 1.57 1.08 -0.87 0.07 115.11 118.74 3kef h GLN 276 Ca 0.11 -0.12 -0.14 0.00 -1.45 0.00 0.00 58.65 57.05 3kef h GLN 276 Cb 0.71 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 3kef h GLN 276 CO 0.05 0.80 -0.60 -0.91 -0.95 0.00 0.00 178.83 177.22 3kef h ASN 277 N 1.09 0.18 -0.49 1.46 4.21 -1.08 -1.82 115.58 119.14 3kef h ASN 277 Ca 0.27 -0.10 -0.13 0.00 1.21 0.00 0.00 56.30 57.55 3kef h ASN 277 Cb 0.04 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.17 3kef h ASN 277 CO -0.04 0.74 -0.21 0.58 -1.29 0.00 0.00 177.43 177.21 3kef h VAL 278 N 0.12 1.27 -0.49 2.81 2.07 -0.48 -1.67 116.25 119.87 3kef h VAL 278 Ca -0.01 -1.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 3kef h VAL 278 Cb 1.09 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 3kef h VAL 278 CO 0.09 0.48 0.13 0.58 0.02 0.00 0.00 177.57 178.87 3kef h VAL 279 N 0.86 1.24 -0.95 2.57 2.07 -0.87 -0.84 116.25 120.33 3kef h VAL 279 Ca 0.11 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.83 3kef h VAL 279 Cb 0.79 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 3kef h VAL 279 CO 0.07 0.29 0.62 0.00 0.02 0.00 0.00 177.57 178.57 3kef h ALA 280 N 1.00 1.31 -0.23 1.67 0.00 -1.14 -0.11 119.26 121.76 3kef h ALA 280 Ca 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3kef h ALA 280 Cb 0.31 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3kef h ALA 280 CO -0.00 0.63 -0.03 -0.09 0.00 0.00 0.00 179.25 179.76 3kef h ARG 281 N 1.29 0.43 -0.54 0.00 9.65 -0.95 -1.97 114.38 122.29 3kef h ARG 281 Ca 0.35 -0.15 0.03 0.00 -1.10 0.00 0.00 59.98 59.11 3kef h ARG 281 Cb -0.14 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.38 3kef h ARG 281 CO -0.07 0.64 0.36 -0.07 2.80 0.00 0.00 179.97 183.63 3kef h LEU 282 N 0.18 0.53 -0.94 3.80 3.38 -0.59 -0.06 115.31 121.61 3kef h LEU 282 Ca 0.06 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 3kef h LEU 282 Cb 0.47 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3kef h LEU 282 CO 0.02 0.37 -0.40 1.56 0.09 0.00 0.00 178.44 180.07 3kef h GLN 283 N 0.62 0.26 0.00 1.13 4.20 -0.74 0.23 115.11 120.81 3kef h GLN 283 Ca 0.22 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 3kef h GLN 283 Cb 0.10 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3kef h GLN 283 CO -0.06 0.63 -0.21 1.96 -0.67 0.00 0.00 178.83 180.48 3kef h GLN 284 N 0.22 0.00 -0.62 1.46 4.20 -0.28 -2.29 115.11 117.81 3kef h GLN 284 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3kef h GLN 284 Cb 0.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.59 3kef h GLN 284 CO 0.06 0.21 0.00 1.28 -0.67 0.00 0.00 178.83 179.71 3kef n LEU 285 N -3.49 3.45 0.00 1.46 4.32 -0.54 -4.89 117.00 117.31 3kef n LEU 285 Ca -0.01 -1.74 0.00 0.00 -0.02 0.00 0.00 56.01 54.24 3kef n LEU 285 Cb 0.37 -0.49 0.00 0.00 -1.62 0.00 0.00 43.42 41.68 3kef n LEU 285 CO 0.32 0.58 0.00 0.61 -1.22 0.00 0.00 177.39 177.68 3kef n GLY 286 N 0.82 0.56 3.80 -0.72 0.00 -0.86 -4.97 105.19 103.82 3kef n GLY 286 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3kef n GLY 286 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kef s GLY 287 N -1.21 2.35 0.00 -0.02 0.00 -0.04 -2.73 107.32 105.68 3kef s GLY 287 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.21 3kef s GLY 287 CO 0.00 0.80 0.00 0.61 0.00 0.00 0.00 173.10 174.51 3kef n GLY 288 N -0.61 1.35 3.76 0.20 0.00 -0.40 -4.34 105.19 105.15 3kef n GLY 288 Ca 0.09 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 3kef n GLY 288 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kef s GLU 289 N 2.41 4.34 0.09 1.61 2.56 -1.26 -4.69 118.70 123.75 3kef s GLU 289 Ca 0.00 2.23 -0.31 0.00 0.00 0.00 0.00 54.97 56.89 3kef s GLU 289 Cb 0.00 -3.08 -0.07 0.00 2.00 0.00 0.00 34.13 32.98 3kef s GLU 289 CO 0.00 -0.24 1.33 0.00 -0.56 0.00 0.00 175.26 175.79 3kef s ALA 290 N -0.89 3.53 -0.31 6.30 0.00 -1.26 -4.36 121.76 124.77 3kef s ALA 290 Ca 0.51 1.01 -0.07 0.00 0.00 0.00 0.00 51.96 53.41 3kef s ALA 290 Cb -0.40 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.23 3kef s ALA 290 CO 0.51 -0.58 0.09 0.42 0.00 0.00 0.00 175.76 176.20 3kef s ILE 291 N 1.20 3.93 0.04 0.00 1.01 0.12 -4.96 121.20 122.54 3kef s ILE 291 Ca 0.63 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 60.13 3kef s ILE 291 Cb -0.34 -3.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 3kef s ILE 291 CO 0.30 -0.02 1.13 -2.84 0.00 0.00 0.00 174.94 173.51 3kef s PRO 292 N 1.47 4.47 0.62 2.79 0.02 -1.26 -0.88 135.00 142.23 3kef s PRO 292 Ca 0.01 1.66 -0.13 0.00 0.02 0.00 0.00 61.00 62.56 3kef s PRO 292 Cb -0.18 -3.39 -0.03 0.00 0.02 0.00 0.00 34.50 30.92 3kef s PRO 292 CO 0.03 -0.20 1.04 -0.51 -0.33 0.00 0.00 177.00 177.02 3kef s LEU 293 N 1.10 3.32 0.32 -5.54 1.43 -0.41 -4.89 118.68 114.01 3kef s LEU 293 Ca 0.56 1.58 -0.28 0.00 -1.03 0.00 0.00 54.13 54.97 3kef s LEU 293 Cb -0.27 -4.50 -0.09 0.00 0.03 0.00 0.00 46.19 41.36 3kef s LEU 293 CO 0.28 -1.06 1.09 -1.61 0.23 0.00 0.00 176.35 175.29 3kef s GLU 294 N -4.74 4.45 0.36 1.70 0.41 -1.26 -4.49 118.70 115.12 3kef s GLU 294 Ca 0.58 1.73 -0.13 0.00 -0.41 0.00 0.00 54.97 56.74 3kef s GLU 294 Cb -0.13 -2.96 0.04 0.00 -1.78 0.00 0.00 34.13 29.30 3kef s GLU 294 CO 0.47 0.06 0.69 0.20 -0.49 0.00 0.00 175.26 176.20 3kef s GLY 295 N -1.09 0.59 0.01 -1.39 0.00 -1.26 -4.81 107.32 99.37 3kef s GLY 295 Ca 0.49 -0.89 -0.30 0.00 0.00 0.00 0.00 44.72 44.02 3kef s GLY 295 CO 0.37 -0.47 1.72 -1.60 0.00 0.00 0.00 173.10 173.12 3kef s ARG 296 N -2.76 4.18 0.25 2.90 6.06 -1.26 -4.90 118.95 123.43 3kef s ARG 296 Ca 0.19 2.32 -0.30 0.00 -2.50 0.00 0.00 55.73 55.44 3kef s ARG 296 Cb -0.04 -3.89 -0.09 0.00 0.06 0.00 0.00 34.95 30.99 3kef s ARG 296 CO 0.13 -0.83 1.00 -2.00 -2.50 0.00 0.00 175.30 171.11 3kef s GLU 297 N 3.64 4.77 -0.04 5.12 2.12 -1.26 -4.25 118.70 128.80 3kef s GLU 297 Ca 0.77 1.61 0.01 0.00 0.36 0.00 0.00 54.97 57.72 3kef s GLU 297 Cb -0.37 -3.25 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 3kef s GLU 297 CO 0.33 0.39 -0.05 -1.21 -0.54 0.00 0.00 175.26 174.17 3kef s GLU 298 N -1.24 2.72 -0.00 4.30 2.02 -1.26 -5.01 118.70 120.23 3kef s GLU 298 Ca 0.43 -0.59 0.01 0.00 0.02 0.00 0.00 54.97 54.84 3kef s GLU 298 Cb -0.28 -2.60 0.01 0.00 0.10 0.00 0.00 34.13 31.36 3kef s GLU 298 CO 0.35 0.65 0.70 0.27 0.02 0.00 0.00 175.26 177.25 3kef n ASN 299 N 1.94 0.63 -4.77 -0.19 0.23 -1.26 -5.08 115.26 106.77 3kef n ASN 299 Ca -0.17 -1.42 -0.39 0.00 -0.53 0.00 0.00 54.58 52.06 3kef n ASN 299 Cb 0.53 -0.03 -0.06 0.00 -2.08 0.00 0.00 39.78 38.14 3kef n ASN 299 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3kef s ILE 300 N -0.38 4.49 -0.01 1.53 1.01 -1.26 -5.06 121.20 121.52 3kef s ILE 300 Ca 0.01 1.64 0.01 0.00 0.00 0.00 0.00 60.65 62.31 3kef s ILE 300 Cb 0.01 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 38.38 3kef s ILE 300 CO 0.00 0.49 -0.02 -0.69 0.00 0.00 0.00 174.94 174.72 3kef s VAL 301 N -0.88 0.21 -0.22 2.92 1.01 -1.26 -4.58 120.40 117.61 3kef s VAL 301 Ca 0.36 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 3kef s VAL 301 Cb -0.22 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 35.94 3kef s VAL 301 CO 0.25 0.09 -0.09 -0.36 0.00 0.00 0.00 175.10 174.99 3kef s PHE 302 N 0.26 2.93 0.51 5.22 2.99 -1.26 -5.09 117.98 123.54 3kef s PHE 302 Ca -0.02 -1.23 -0.18 0.00 0.00 0.00 0.00 56.93 55.50 3kef s PHE 302 Cb -0.05 -2.05 -0.07 0.00 0.00 0.00 0.00 43.02 40.84 3kef s PHE 302 CO -0.01 -0.65 1.01 -1.21 -0.00 0.00 0.00 175.22 174.36 3kef s GLU 303 N 1.40 3.81 0.61 0.44 2.02 -1.26 -4.49 118.70 121.23 3kef s GLU 303 Ca 0.05 1.13 -0.14 0.00 0.02 0.00 0.00 54.97 56.03 3kef s GLU 303 Cb -0.14 -2.11 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 3kef s GLU 303 CO -0.06 -0.40 1.04 0.14 0.02 0.00 0.00 175.26 176.00 3kef s VAL 304 N -2.36 4.18 0.44 2.63 -7.23 -1.26 -4.97 120.40 111.83 3kef s VAL 304 Ca 0.62 0.88 -0.26 0.00 -1.81 0.00 0.00 61.98 61.42 3kef s VAL 304 Cb -0.13 -3.54 -0.09 0.00 0.56 0.00 0.00 36.38 33.19 3kef s VAL 304 CO 0.27 -0.75 1.45 -0.81 -0.31 0.00 0.00 175.10 174.94 3kef n PRO 305 N -2.37 2.33 -0.24 4.82 -0.04 -1.26 -4.83 135.00 133.42 3kef n PRO 305 Ca 0.07 0.83 0.28 0.00 -0.04 0.00 0.00 63.50 64.65 3kef n PRO 305 Cb 0.53 -2.65 0.67 0.00 -0.04 0.00 0.00 33.50 32.02 3kef n PRO 305 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3kef h LYS 306 N 2.40 0.10 0.00 0.54 2.10 -2.00 0.29 116.57 120.01 3kef h LYS 306 Ca -0.51 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 3kef h LYS 306 Cb 1.26 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3kef h LYS 306 CO 0.61 0.07 0.00 0.39 -2.00 0.00 0.00 179.45 178.52 3kef n GLU 307 N -4.33 0.04 -0.28 0.07 1.02 -1.26 -2.40 120.64 113.50 3kef n GLU 307 Ca 0.21 0.32 0.07 0.00 -0.02 0.00 0.00 57.16 57.74 3kef n GLU 307 Cb 0.99 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 31.02 3kef n GLU 307 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kef n LEU 308 N -1.43 1.76 0.00 -4.62 4.77 0.10 -5.09 117.00 112.49 3kef n LEU 308 Ca 0.02 -2.61 0.14 0.00 -0.03 0.00 0.00 56.01 53.53 3kef n LEU 308 Cb 0.08 -0.32 0.81 0.00 -2.33 0.00 0.00 43.42 41.67 3kef n LEU 308 CO 0.07 0.65 0.99 0.54 -1.33 0.00 0.00 177.39 178.31