#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kem n ILE 2 N 0.00 0.00 -0.07 6.31 5.41 0.06 -4.62 119.36 126.45 2kem n ILE 2 Ca 0.00 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.68 2kem n ILE 2 Cb 0.00 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 38.82 2kem n ILE 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2kem n LEU 3 N 0.00 0.00 0.04 1.39 0.00 -1.26 -0.89 117.00 116.28 2kem n LEU 3 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 56.01 56.07 2kem n LEU 3 Cb 0.00 0.35 -0.08 0.00 0.00 0.00 0.00 43.42 43.70 2kem n LEU 3 CO 0.00 0.35 -0.33 -1.14 0.00 0.00 0.00 177.39 176.27 2kem n ARG 4 N -2.53 0.63 -0.11 1.96 0.00 -1.26 -4.48 116.66 110.87 2kem n ARG 4 Ca -0.23 0.09 -0.18 0.00 -0.00 0.00 0.00 57.85 57.53 2kem n ARG 4 Cb 0.96 -1.74 -0.06 0.00 0.00 0.00 0.00 32.46 31.62 2kem n ARG 4 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2kem n HIS 5 N -2.68 0.25 0.00 -0.14 -0.00 -1.26 -4.98 115.22 106.40 2kem n HIS 5 Ca -0.07 0.11 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 2kem n HIS 5 Cb 0.71 -0.80 0.00 0.00 -0.00 0.00 0.00 29.99 29.90 2kem n HIS 5 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2kem n SER 6 N -4.40 0.00 -2.12 0.41 3.41 -1.13 -4.75 113.62 105.04 2kem n SER 6 Ca -0.31 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 2kem n SER 6 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 2kem n SER 6 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2kem n MET 7 N -0.39 3.28 -4.53 4.33 1.56 -0.07 -0.76 117.12 120.54 2kem n MET 7 Ca 0.00 0.00 -0.33 0.00 -0.27 0.00 0.00 57.70 57.10 2kem n MET 7 Cb 0.00 0.00 -0.11 0.00 2.15 0.00 0.00 33.22 35.26 2kem n MET 7 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2kem s ASP 8 N -1.02 4.56 0.22 6.12 2.15 -1.26 -4.83 116.67 122.62 2kem s ASP 8 Ca 0.00 -0.13 -0.08 0.00 0.43 0.00 0.00 52.55 52.77 2kem s ASP 8 Cb 0.00 -1.07 0.36 0.00 -0.30 0.00 0.00 42.92 41.91 2kem s ASP 8 CO 0.00 0.30 1.70 -0.65 -0.17 0.00 0.00 175.17 176.36 2kem h PRO 9 N 4.75 0.29 -0.94 4.34 0.11 -2.00 -0.50 132.00 138.04 2kem h PRO 9 Ca -0.48 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 2kem h PRO 9 Cb 1.17 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.15 2kem h PRO 9 CO 0.53 0.19 0.14 -0.35 -0.21 0.00 0.00 178.00 178.30 2kem n PRO 10 N -5.11 1.82 -0.04 1.05 -0.04 -1.26 -4.10 135.00 127.31 2kem n PRO 10 Ca 0.11 -1.09 -0.04 0.00 -0.04 0.00 0.00 63.50 62.45 2kem n PRO 10 Cb 0.37 -1.56 -0.01 0.00 -0.04 0.00 0.00 33.50 32.26 2kem n PRO 10 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2kem n THR 11 N 0.04 0.69 -0.09 0.52 -1.04 -0.19 -4.33 114.28 109.88 2kem n THR 11 Ca 0.17 0.34 -0.13 0.00 -2.04 0.00 0.00 64.05 62.39 2kem n THR 11 Cb 0.79 -1.90 -0.06 0.00 -1.82 0.00 0.00 70.33 67.33 2kem n THR 11 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2kem n PHE 12 N -3.40 0.93 0.29 -1.42 3.01 -1.26 -2.12 117.46 113.49 2kem n PHE 12 Ca -0.06 0.40 0.18 0.00 1.01 0.00 0.00 57.45 58.99 2kem n PHE 12 Cb 0.21 -0.93 0.89 0.00 -0.01 0.00 0.00 39.48 39.65 2kem n PHE 12 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2kem h THR 13 N -1.00 0.00 0.00 4.37 1.03 -1.88 1.55 112.91 116.98 2kem h THR 13 Ca -0.18 -0.12 -0.20 0.00 -0.01 0.00 0.00 66.41 65.90 2kem h THR 13 Cb 0.91 0.96 -0.03 0.00 -1.07 0.00 0.00 68.15 68.92 2kem h THR 13 CO -0.11 0.00 -1.25 0.33 -0.01 0.00 0.00 175.52 174.48 2kem n PHE 14 N -2.79 0.85 -0.07 0.00 7.35 -1.26 -4.03 117.46 117.51 2kem n PHE 14 Ca -0.01 0.37 -0.20 0.00 -0.76 0.00 0.00 57.45 56.85 2kem n PHE 14 Cb 0.12 -1.00 -0.13 0.00 0.35 0.00 0.00 39.48 38.82 2kem n PHE 14 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2kem n ASN 15 N -4.45 2.04 -0.12 -2.13 3.02 -0.90 -4.31 115.26 108.41 2kem n ASN 15 Ca -0.29 0.02 0.15 0.00 -0.03 0.00 0.00 54.58 54.43 2kem n ASN 15 Cb 0.61 -0.61 0.81 0.00 -0.61 0.00 0.00 39.78 39.97 2kem n ASN 15 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2kem n PHE 16 N -3.38 0.00 -3.28 3.10 3.01 0.50 -4.03 117.46 113.39 2kem n PHE 16 Ca -0.40 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 57.61 2kem n PHE 16 Cb 1.01 -0.04 -0.06 0.00 -0.01 0.00 0.00 39.48 40.38 2kem n PHE 16 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 2kem s ASN 17 N -2.09 6.18 -1.25 4.37 2.47 0.25 -4.47 114.94 120.41 2kem s ASN 17 Ca 0.42 -1.48 -0.02 0.00 0.42 0.00 0.00 52.86 52.20 2kem s ASN 17 Cb 0.21 -2.23 0.00 0.00 -1.45 0.00 0.00 41.25 37.79 2kem s ASN 17 CO 0.38 -0.85 1.03 -3.20 -3.72 0.00 0.00 177.10 170.75 2kem n ASN 18 N 5.55 -3.08 -3.11 -4.21 5.15 -1.26 -4.87 115.26 109.42 2kem n ASN 18 Ca -0.12 -0.61 -0.17 0.00 -0.60 0.00 0.00 54.58 53.08 2kem n ASN 18 Cb 0.42 -5.06 -0.05 0.00 -0.53 0.00 0.00 39.78 34.57 2kem n ASN 18 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2kem n GLU 19 N -4.35 0.37 -1.90 1.20 1.02 -1.26 -5.10 120.64 110.62 2kem n GLU 19 Ca -0.22 -2.68 -0.42 0.00 -0.02 0.00 0.00 57.16 53.82 2kem n GLU 19 Cb 0.64 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 2kem n GLU 19 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2kem s PRO 20 N 0.33 4.20 0.50 3.49 0.04 -1.26 -4.66 135.00 137.64 2kem s PRO 20 Ca 0.32 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.75 2kem s PRO 20 Cb 0.04 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2kem s PRO 20 CO -0.14 -0.66 0.00 1.87 0.04 0.00 0.00 177.00 178.11 2kem n TRP 21 N 4.39 -4.04 -1.80 0.56 -0.00 -1.26 -4.88 117.44 110.41 2kem n TRP 21 Ca 0.15 2.16 -0.35 0.00 -0.00 0.00 0.00 57.50 59.45 2kem n TRP 21 Cb 0.39 -3.33 0.06 0.00 -0.00 0.00 0.00 31.31 28.42 2kem n TRP 21 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 2kem s VAL 22 N -3.73 2.53 0.55 5.87 1.01 -1.26 -4.88 120.40 120.49 2kem s VAL 22 Ca 0.00 0.30 0.26 0.00 0.00 0.00 0.00 61.98 62.54 2kem s VAL 22 Cb 0.00 -3.01 0.39 0.00 0.00 0.00 0.00 36.38 33.75 2kem s VAL 22 CO 0.00 -0.10 2.01 0.03 0.00 0.00 0.00 175.10 177.04 2kem h ARG 23 N 0.44 0.00 -2.50 2.72 2.47 -1.94 -3.36 114.38 112.21 2kem h ARG 23 Ca -0.49 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 57.86 2kem h ARG 23 Cb 1.30 0.00 -0.36 0.00 -1.65 0.00 0.00 29.97 29.25 2kem h ARG 23 CO 0.53 0.00 -0.66 0.20 0.56 0.00 0.00 179.97 180.60 2kem s GLY 24 N -4.00 0.07 -0.91 0.04 0.00 -1.26 -5.08 107.32 96.18 2kem s GLY 24 Ca -0.05 -0.16 -0.23 0.00 0.00 0.00 0.00 44.72 44.28 2kem s GLY 24 CO 0.68 2.25 2.47 -2.13 0.00 0.00 0.00 173.10 176.36 2kem n ARG 25 N 5.30 0.20 -3.63 2.90 0.63 -1.26 -4.77 116.66 116.03 2kem n ARG 25 Ca -0.05 -0.08 -0.03 0.00 -0.92 0.00 0.00 57.85 56.77 2kem n ARG 25 Cb 0.47 -1.82 -0.04 0.00 0.45 0.00 0.00 32.46 31.52 2kem n ARG 25 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2kem s HIS 26 N 7.26 -0.08 -1.27 -0.14 2.46 -1.26 -4.99 115.29 117.27 2kem s HIS 26 Ca 1.26 0.14 -0.04 0.00 0.47 0.00 0.00 55.06 56.89 2kem s HIS 26 Cb -0.88 0.49 0.00 0.00 -0.13 0.00 0.00 32.58 32.06 2kem s HIS 26 CO 0.45 -0.08 0.49 -1.91 -2.47 0.00 0.00 174.74 171.22 2kem n GLU 27 N 0.57 -3.98 -1.64 2.88 4.07 -1.26 -4.95 120.64 116.33 2kem n GLU 27 Ca -0.02 0.74 -0.37 0.00 -0.06 0.00 0.00 57.16 57.46 2kem n GLU 27 Cb 0.59 -5.25 0.06 0.00 -0.06 0.00 0.00 31.44 26.78 2kem n GLU 27 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2kem n THR 28 N -4.28 4.17 -3.71 6.31 -1.04 -1.26 -4.89 114.28 109.57 2kem n THR 28 Ca -0.09 -0.49 -0.11 0.00 -2.04 0.00 0.00 64.05 61.31 2kem n THR 28 Cb 0.60 -1.26 -0.11 0.00 -1.82 0.00 0.00 70.33 67.74 2kem n THR 28 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 2kem s TYR 29 N -1.49 -0.53 -0.05 -1.42 -0.85 -1.26 -2.99 117.35 108.75 2kem s TYR 29 Ca 0.79 1.19 0.05 0.00 -0.52 0.00 0.00 57.07 58.57 2kem s TYR 29 Cb -0.40 0.22 -0.01 0.00 0.38 0.00 0.00 41.96 42.15 2kem s TYR 29 CO 0.44 -0.29 -0.21 -0.48 -1.52 0.00 0.00 175.55 173.49 2kem s LEU 30 N 1.02 1.98 -0.06 -3.49 0.05 -0.36 -4.18 118.68 113.64 2kem s LEU 30 Ca -0.07 -0.43 -0.18 0.00 0.05 0.00 0.00 54.13 53.50 2kem s LEU 30 Cb -0.07 -1.17 -0.05 0.00 -2.05 0.00 0.00 46.19 42.86 2kem s LEU 30 CO -0.08 0.19 0.50 0.00 -0.55 0.00 0.00 176.35 176.40 2kem s TYR 32 N 0.08 3.42 -0.15 0.00 1.13 -1.11 0.89 117.35 121.61 2kem s TYR 32 Ca 0.27 0.29 -0.04 0.00 -1.41 0.00 0.00 57.07 56.18 2kem s TYR 32 Cb -0.16 -1.79 0.05 0.00 -1.10 0.00 0.00 41.96 38.96 2kem s TYR 32 CO 0.13 0.60 0.06 -2.00 -2.51 0.00 0.00 175.55 171.83 2kem s GLU 33 N -1.81 0.23 0.08 -3.49 2.12 -0.55 -2.66 118.70 112.63 2kem s GLU 33 Ca 0.25 -0.07 0.08 0.00 0.36 0.00 0.00 54.97 55.58 2kem s GLU 33 Cb -0.12 -1.60 -0.03 0.00 0.26 0.00 0.00 34.13 32.64 2kem s GLU 33 CO 0.16 -0.57 -0.20 0.14 -0.54 0.00 0.00 175.26 174.25 2kem s VAL 34 N 2.06 1.62 0.50 3.70 -7.23 -1.20 0.16 120.40 120.01 2kem s VAL 34 Ca 0.02 -1.41 0.08 0.00 -1.81 0.00 0.00 61.98 58.85 2kem s VAL 34 Cb -0.15 -1.46 0.03 0.00 0.56 0.00 0.00 36.38 35.36 2kem s VAL 34 CO -0.07 -0.01 0.51 -1.61 -0.31 0.00 0.00 175.10 173.61 2kem s GLU 35 N -1.68 2.41 -0.25 4.82 8.01 -0.95 -4.62 118.70 126.45 2kem s GLU 35 Ca 0.06 -1.69 -0.03 0.00 0.01 0.00 0.00 54.97 53.32 2kem s GLU 35 Cb -0.10 -2.40 0.01 0.00 -4.31 0.00 0.00 34.13 27.34 2kem s GLU 35 CO 0.03 -0.51 -0.04 1.03 0.01 0.00 0.00 175.26 175.79 2kem s ARG 36 N -4.34 3.04 -0.44 1.61 0.52 -0.78 -2.21 118.95 116.34 2kem s ARG 36 Ca 0.48 -0.85 -0.17 0.00 -0.52 0.00 0.00 55.73 54.67 2kem s ARG 36 Cb -0.04 -3.04 0.04 0.00 0.52 0.00 0.00 34.95 32.42 2kem s ARG 36 CO 0.29 -0.34 0.42 -1.64 0.02 0.00 0.00 175.30 174.05 2kem s MET 37 N 1.40 3.04 -0.87 3.54 -1.94 0.24 0.08 119.30 124.79 2kem s MET 37 Ca 0.02 -0.96 0.01 0.00 -1.71 0.00 0.00 55.69 53.05 2kem s MET 37 Cb -0.16 -4.02 0.29 0.00 2.01 0.00 0.00 34.83 32.95 2kem s MET 37 CO -0.03 -0.91 1.22 0.72 -0.01 0.00 0.00 175.02 176.00 2kem n HIS 38 N 5.49 2.96 -3.98 -0.03 8.25 -0.91 -3.61 115.22 123.39 2kem n HIS 38 Ca -0.09 -3.26 -0.28 0.00 -0.26 0.00 0.00 57.72 53.83 2kem n HIS 38 Cb 0.46 -0.93 -0.02 0.00 1.12 0.00 0.00 29.99 30.62 2kem n HIS 38 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2kem n ASN 39 N 0.85 -0.96 0.00 0.41 4.13 -1.26 -2.91 115.26 115.52 2kem n ASN 39 Ca 0.30 -1.06 0.00 0.00 1.68 0.00 0.00 54.58 55.50 2kem n ASN 39 Cb 0.36 -2.80 0.00 0.00 -1.54 0.00 0.00 39.78 35.79 2kem n ASN 39 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2kem n ASP 40 N -2.89 0.00 -4.91 6.41 2.03 -1.26 -5.12 116.55 110.81 2kem n ASP 40 Ca -0.28 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.76 2kem n ASP 40 Cb 0.67 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.07 2kem n ASP 40 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2kem s THR 41 N -0.87 4.79 -0.43 5.18 2.01 -1.15 -5.06 115.64 120.11 2kem s THR 41 Ca 0.00 0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.20 2kem s THR 41 Cb 0.00 -3.82 0.18 0.00 0.01 0.00 0.00 72.50 68.86 2kem s THR 41 CO 0.00 -0.80 0.57 -1.66 -0.69 0.00 0.00 174.62 172.04 2kem s TRP 42 N -2.75 -1.10 -0.86 4.92 1.48 -0.88 -2.15 118.94 117.60 2kem s TRP 42 Ca 0.48 -0.45 -0.25 0.00 -1.06 0.00 0.00 56.10 54.82 2kem s TRP 42 Cb -0.10 0.03 -0.01 0.00 -1.16 0.00 0.00 33.47 32.23 2kem s TRP 42 CO 0.44 -1.12 1.72 0.08 -4.06 0.00 0.00 176.95 174.01 2kem s VAL 43 N 1.34 3.59 -0.34 -0.66 1.01 0.11 -4.68 120.40 120.77 2kem s VAL 43 Ca 0.21 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2kem s VAL 43 Cb -0.05 -4.38 0.50 0.00 0.00 0.00 0.00 36.38 32.45 2kem s VAL 43 CO -0.06 -1.31 1.64 2.29 0.00 0.00 0.00 175.10 177.67 2kem n LYS 44 N 8.99 2.11 0.00 2.72 2.85 -1.26 -1.87 118.16 131.70 2kem n LYS 44 Ca 0.30 -2.20 0.00 0.00 -1.05 0.00 0.00 58.31 55.36 2kem n LYS 44 Cb 0.49 -1.88 0.00 0.00 -0.65 0.00 0.00 35.03 32.99 2kem n LYS 44 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2kem n LEU 45 N -0.58 0.00 -3.46 -5.58 7.99 -1.26 -4.67 117.00 109.43 2kem n LEU 45 Ca 0.41 0.00 -0.35 0.00 -0.01 0.00 0.00 56.01 56.06 2kem n LEU 45 Cb 1.32 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 44.58 2kem n LEU 45 CO 0.42 -1.11 2.13 -3.20 -1.51 0.00 0.00 177.39 174.13 2kem n ASN 46 N -1.99 3.10 -4.30 -1.43 2.85 -1.26 -4.83 115.26 107.40 2kem n ASN 46 Ca 0.00 -2.54 -0.38 0.00 -0.11 0.00 0.00 54.58 51.55 2kem n ASN 46 Cb 0.00 -1.07 -0.12 0.00 1.24 0.00 0.00 39.78 39.83 2kem n ASN 46 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2kem s GLN 47 N 4.58 2.72 0.00 1.20 -0.21 -1.26 -5.01 119.66 121.68 2kem s GLN 47 Ca 0.50 -1.12 0.00 0.00 0.02 0.00 0.00 55.36 54.77 2kem s GLN 47 Cb 0.13 -3.48 0.00 0.00 1.00 0.00 0.00 33.01 30.66 2kem s GLN 47 CO 0.08 -0.63 0.00 2.89 -2.12 0.00 0.00 175.29 175.50 2kem n ARG 48 N 4.84 0.00 0.00 2.91 1.85 -1.26 -3.23 116.66 121.78 2kem n ARG 48 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 2kem n ARG 48 Cb 0.45 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.86 2kem n ARG 48 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2kem n ARG 49 N 0.00 3.07 0.00 2.89 0.63 -1.10 -5.01 116.66 117.15 2kem n ARG 49 Ca 0.00 -0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 2kem n ARG 49 Cb 0.00 -0.32 0.00 0.00 0.45 0.00 0.00 32.46 32.59 2kem n ARG 49 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kem n GLY 50 N 0.45 1.43 0.00 5.14 0.00 -1.09 -4.83 105.19 106.29 2kem n GLY 50 Ca 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.83 2kem n GLY 50 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2kem n PHE 51 N -0.41 0.00 -2.04 1.61 7.35 -0.31 -2.76 117.46 120.91 2kem n PHE 51 Ca 0.00 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.40 2kem n PHE 51 Cb 0.00 0.00 0.16 0.00 0.35 0.00 0.00 39.48 39.99 2kem n PHE 51 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2kem s LEU 52 N 0.00 2.74 -0.47 -2.13 2.01 -1.19 -4.71 118.68 114.94 2kem s LEU 52 Ca 0.00 0.22 0.06 0.00 0.01 0.00 0.00 54.13 54.42 2kem s LEU 52 Cb 0.00 -2.36 0.18 0.00 0.01 0.00 0.00 46.19 44.02 2kem s LEU 52 CO 0.00 -2.50 0.61 0.00 1.01 0.00 0.00 176.35 175.47 2kem s ALA 53 N -3.73 -1.46 0.17 4.21 0.00 -1.26 -1.22 121.76 118.46 2kem s ALA 53 Ca 0.71 -0.66 0.09 0.00 0.00 0.00 0.00 51.96 52.11 2kem s ALA 53 Cb -0.05 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 2kem s ALA 53 CO 0.51 -2.19 -0.15 -0.80 0.00 0.00 0.00 175.76 173.13 2kem s ASN 54 N 1.01 3.96 0.16 0.00 0.02 -1.16 -4.76 114.94 114.16 2kem s ASN 54 Ca 0.26 -0.64 0.10 0.00 -1.02 0.00 0.00 52.86 51.56 2kem s ASN 54 Cb -0.02 -0.56 -0.04 0.00 0.02 0.00 0.00 41.25 40.65 2kem s ASN 54 CO -0.07 0.13 -0.19 0.00 0.02 0.00 0.00 177.10 176.98 2kem s GLN 55 N -2.60 1.71 -0.05 -0.60 1.03 -1.19 -0.90 119.66 117.05 2kem s GLN 55 Ca 0.22 -1.33 -0.00 0.00 0.04 0.00 0.00 55.36 54.29 2kem s GLN 55 Cb -0.09 -2.01 -0.00 0.00 0.03 0.00 0.00 33.01 30.94 2kem s GLN 55 CO 0.12 0.44 0.00 0.00 -2.54 0.00 0.00 175.29 173.32 2kem h ALA 56 N 3.40 -0.00 -1.72 2.60 0.00 -1.85 -3.35 119.26 118.34 2kem h ALA 56 Ca -0.48 -0.00 -0.47 0.00 0.00 0.00 0.00 54.91 53.96 2kem h ALA 56 Cb 1.19 0.00 0.23 0.00 0.00 0.00 0.00 17.79 19.21 2kem h ALA 56 CO 0.47 -0.00 -1.09 -0.35 0.00 0.00 0.00 179.25 178.29 2kem n PRO 57 N -3.49 -1.42 -1.02 0.00 -0.04 -1.26 -2.69 135.00 125.07 2kem n PRO 57 Ca -0.00 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.06 2kem n PRO 57 Cb 0.00 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 2kem n PRO 57 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2kem n HIS 58 N -4.31 -0.06 -2.75 0.54 -0.00 -1.26 -4.88 115.22 102.50 2kem n HIS 58 Ca 0.01 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.15 2kem n HIS 58 Cb 0.62 0.00 0.06 0.00 -0.12 0.00 0.00 29.99 30.55 2kem n HIS 58 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2kem n LYS 59 N 0.00 1.45 -3.00 1.57 4.81 -1.26 -4.99 118.16 116.73 2kem n LYS 59 Ca 0.00 -2.96 0.02 0.00 -0.87 0.00 0.00 58.31 54.50 2kem n LYS 59 Cb 0.00 -1.07 0.01 0.00 0.02 0.00 0.00 35.03 33.98 2kem n LYS 59 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2kem n HIS 60 N -0.56 -0.17 0.23 5.64 8.25 -1.26 -5.00 115.22 122.35 2kem n HIS 60 Ca 0.03 -0.33 0.14 0.00 -0.26 0.00 0.00 57.72 57.30 2kem n HIS 60 Cb 0.82 0.15 0.78 0.00 1.12 0.00 0.00 29.99 32.86 2kem n HIS 60 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2kem h GLY 61 N 1.04 0.00 1.79 -1.41 0.00 -2.05 -0.87 103.07 101.57 2kem h GLY 61 Ca -0.11 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.23 2kem h GLY 61 CO 0.16 0.00 0.10 0.74 0.00 0.00 0.00 176.54 177.53 2kem h PHE 62 N 0.00 0.00 -0.67 5.60 -1.00 -2.01 -3.40 116.94 115.46 2kem h PHE 62 Ca 0.05 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.56 2kem h PHE 62 Cb 0.22 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.75 2kem h PHE 62 CO 0.00 0.00 1.07 -0.11 -1.61 0.00 0.00 178.31 177.66 2kem n LEU 63 N -3.31 1.30 -0.09 1.54 0.00 -0.34 -4.67 117.00 111.43 2kem n LEU 63 Ca -0.02 -0.83 -0.11 0.00 0.00 0.00 0.00 56.01 55.06 2kem n LEU 63 Cb 0.17 -1.38 -0.15 0.00 0.00 0.00 0.00 43.42 42.06 2kem n LEU 63 CO 0.21 -1.88 -1.10 -0.62 0.00 0.00 0.00 177.39 174.00 2kem n GLU 64 N 8.35 0.68 -1.66 1.96 1.02 -1.26 -5.02 120.64 124.71 2kem n GLU 64 Ca 0.49 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 2kem n GLU 64 Cb 0.38 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 2kem n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kem n GLY 65 N 1.78 0.77 2.98 0.62 0.00 -1.10 -5.06 105.19 105.18 2kem n GLY 65 Ca -0.32 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 2kem n GLY 65 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kem s ARG 66 N -3.21 1.10 0.42 1.61 1.70 -1.26 -4.76 118.95 114.56 2kem s ARG 66 Ca 0.00 -0.28 0.08 0.00 -0.47 0.00 0.00 55.73 55.06 2kem s ARG 66 Cb 0.00 -1.00 -0.00 0.00 -0.57 0.00 0.00 34.95 33.38 2kem s ARG 66 CO 0.00 0.04 0.48 -1.01 -1.08 0.00 0.00 175.30 173.73 2kem s HIS 67 N 0.48 2.75 0.41 5.89 3.76 -1.26 -3.14 115.29 124.19 2kem s HIS 67 Ca -0.08 -0.45 0.30 0.00 -0.15 0.00 0.00 55.06 54.68 2kem s HIS 67 Cb -0.12 -2.28 1.37 0.00 1.11 0.00 0.00 32.58 32.67 2kem s HIS 67 CO 0.01 -0.28 1.43 0.00 -0.85 0.00 0.00 174.74 175.06 2kem n ALA 68 N -1.70 1.26 0.29 -1.40 0.00 -0.08 0.12 120.51 118.99 2kem n ALA 68 Ca 0.06 0.79 -0.16 0.00 0.00 0.00 0.00 53.44 54.13 2kem n ALA 68 Cb 0.60 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 19.00 2kem n ALA 68 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2kem h GLU 69 N 0.00 -0.65 0.00 0.00 4.11 -1.90 0.93 114.58 117.06 2kem h GLU 69 Ca 0.81 0.04 -0.00 0.00 0.07 0.00 0.00 59.36 60.28 2kem h GLU 69 Cb 2.61 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 32.01 2kem h GLU 69 CO -0.42 -0.42 -0.00 -0.07 0.07 0.00 0.00 179.01 178.16 2kem h LEU 70 N -0.70 0.00 -0.80 3.06 4.07 0.62 0.96 115.31 122.52 2kem h LEU 70 Ca -0.07 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.79 2kem h LEU 70 Cb 0.53 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 2kem h LEU 70 CO 0.11 0.00 -0.19 0.00 -1.08 0.00 0.00 178.44 177.29 2kem h PHE 72 N 0.62 1.15 -0.47 0.00 3.57 0.83 -0.75 116.94 121.89 2kem h PHE 72 Ca 0.09 -0.18 0.14 0.00 3.53 0.00 0.00 57.97 61.55 2kem h PHE 72 Cb 0.67 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2kem h PHE 72 CO 0.03 1.00 0.38 -0.07 -2.23 0.00 0.00 178.31 177.42 2kem h LEU 73 N 0.97 0.00 0.05 0.59 4.07 0.24 0.36 115.31 121.59 2kem h LEU 73 Ca 0.18 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.88 2kem h LEU 73 Cb 0.51 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 2kem h LEU 73 CO 0.02 0.00 -1.32 -0.78 -1.08 0.00 0.00 178.44 175.29 2kem h ASP 74 N 0.00 0.17 -1.01 -0.43 1.82 -0.56 -3.32 116.42 113.08 2kem h ASP 74 Ca 0.22 -0.21 0.07 0.00 -0.39 0.00 0.00 57.03 56.72 2kem h ASP 74 Cb 0.99 -0.05 -0.07 0.00 0.68 0.00 0.00 39.33 40.87 2kem h ASP 74 CO -0.00 1.18 0.65 -0.37 -1.61 0.00 0.00 179.24 179.08 2kem h VAL 75 N 0.03 1.06 0.33 2.25 -1.51 0.81 -2.76 116.25 116.46 2kem h VAL 75 Ca -0.14 -0.39 -0.01 0.00 -1.23 0.00 0.00 66.70 64.92 2kem h VAL 75 Cb 1.91 -0.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.87 2kem h VAL 75 CO 0.14 0.21 -0.28 0.40 -1.23 0.00 0.00 177.57 176.81 2kem h ILE 76 N 1.15 0.00 -1.11 7.19 1.08 -1.59 2.43 117.51 126.66 2kem h ILE 76 Ca 0.44 0.00 0.32 0.00 -0.39 0.00 0.00 64.86 65.24 2kem h ILE 76 Cb 0.22 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 33.92 2kem h ILE 76 CO -0.19 0.00 0.84 -0.65 -0.69 0.00 0.00 178.15 177.46 2kem h PRO 77 N -0.60 0.00 0.03 2.37 0.11 -1.66 0.18 132.00 132.43 2kem h PRO 77 Ca -0.04 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.72 2kem h PRO 77 Cb 0.51 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.56 2kem h PRO 77 CO -0.01 0.00 -2.11 0.34 -0.21 0.00 0.00 178.00 176.02 2kem n PHE 78 N -4.07 0.60 0.12 0.65 -0.00 -1.02 -4.09 117.46 109.65 2kem n PHE 78 Ca 0.24 0.17 0.18 0.00 -0.00 0.00 0.00 57.45 58.05 2kem n PHE 78 Cb 1.21 -1.10 0.76 0.00 -0.00 0.00 0.00 39.48 40.35 2kem n PHE 78 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.76 175.27 2kem h TRP 79 N 0.02 0.00 -0.33 -5.13 4.06 0.71 -3.44 115.95 111.84 2kem h TRP 79 Ca -0.45 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.36 2kem h TRP 79 Cb 2.06 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 30.16 2kem h TRP 79 CO 0.02 0.00 -0.13 1.63 -3.56 0.00 0.00 178.44 176.41 2kem n LYS 80 N -3.99 -0.51 -1.69 0.49 4.76 -0.55 -4.82 118.16 111.86 2kem n LYS 80 Ca 0.05 0.73 -0.58 0.00 -2.87 0.00 0.00 58.31 55.64 2kem n LYS 80 Cb 0.47 -4.52 -0.07 0.00 -1.84 0.00 0.00 35.03 29.07 2kem n LYS 80 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2kem n LEU 81 N -0.78 2.08 0.00 -0.35 -0.00 -1.12 0.24 117.00 117.06 2kem n LEU 81 Ca -0.07 1.10 0.00 0.00 -0.00 0.00 0.00 56.01 57.04 2kem n LEU 81 Cb 0.23 -1.12 0.00 0.00 -0.00 0.00 0.00 43.42 42.53 2kem n LEU 81 CO 0.10 -0.62 0.00 -0.67 -0.00 0.00 0.00 177.39 176.20 2kem n ASP 82 N 4.63 0.00 -0.19 1.96 2.03 0.13 -4.50 116.55 120.63 2kem n ASP 82 Ca 0.25 0.00 0.28 0.00 0.52 0.00 0.00 54.79 55.85 2kem n ASP 82 Cb 0.12 0.00 0.72 0.00 -0.72 0.00 0.00 41.12 41.24 2kem n ASP 82 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2kem h LEU 83 N 0.00 0.02 0.00 -2.67 -0.00 -1.90 -3.05 115.31 107.70 2kem h LEU 83 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.82 2kem h LEU 83 Cb 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 2kem h LEU 83 CO 0.00 0.01 -1.22 0.47 -0.00 0.00 0.00 178.44 177.70 2kem n ASP 84 N -4.28 3.60 -3.64 0.17 9.92 0.14 -5.08 116.55 117.38 2kem n ASP 84 Ca 0.19 -0.02 -0.04 0.00 -0.53 0.00 0.00 54.79 54.39 2kem n ASP 84 Cb 0.96 -0.06 -0.07 0.00 -0.64 0.00 0.00 41.12 41.31 2kem n ASP 84 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kem s GLN 85 N -2.08 0.45 -0.20 -1.24 -2.07 -1.13 -5.04 119.66 108.35 2kem s GLN 85 Ca -0.05 0.72 -0.20 0.00 -1.82 0.00 0.00 55.36 54.01 2kem s GLN 85 Cb 0.01 0.12 -0.03 0.00 -1.09 0.00 0.00 33.01 32.02 2kem s GLN 85 CO 0.09 -0.09 0.58 0.34 -1.32 0.00 0.00 175.29 174.90 2kem s ASP 86 N 1.16 6.64 0.10 12.60 -1.08 -1.24 0.22 116.67 135.08 2kem s ASP 86 Ca -0.07 0.77 0.08 0.00 -0.52 0.00 0.00 52.55 52.81 2kem s ASP 86 Cb -0.04 -2.33 -0.04 0.00 -1.46 0.00 0.00 42.92 39.05 2kem s ASP 86 CO -0.14 -0.23 -0.15 -0.31 0.52 0.00 0.00 175.17 174.86 2kem s TYR 87 N 1.79 2.62 -0.81 -5.34 1.51 -1.26 0.79 117.35 116.66 2kem s TYR 87 Ca 0.27 -0.22 -0.16 0.00 -1.01 0.00 0.00 57.07 55.96 2kem s TYR 87 Cb -0.16 -1.40 0.18 0.00 -0.11 0.00 0.00 41.96 40.48 2kem s TYR 87 CO 0.10 0.39 0.81 1.03 -1.11 0.00 0.00 175.55 176.77 2kem s ARG 88 N -2.08 3.51 0.10 -0.62 1.81 -0.94 -2.52 118.95 118.21 2kem s ARG 88 Ca 0.19 -2.17 -0.30 0.00 -1.72 0.00 0.00 55.73 51.73 2kem s ARG 88 Cb -0.11 -4.50 -0.06 0.00 -0.45 0.00 0.00 34.95 29.83 2kem s ARG 88 CO 0.11 -1.41 1.01 0.08 -0.68 0.00 0.00 175.30 174.41 2kem s VAL 89 N 0.99 4.42 -0.35 3.52 1.01 0.38 -2.24 120.40 128.13 2kem s VAL 89 Ca 0.19 1.94 -0.00 0.00 0.00 0.00 0.00 61.98 64.11 2kem s VAL 89 Cb -0.12 -4.24 0.13 0.00 0.00 0.00 0.00 36.38 32.15 2kem s VAL 89 CO -0.07 0.26 0.20 0.42 0.00 0.00 0.00 175.10 175.92 2kem s THR 90 N 0.24 0.34 0.34 3.92 -4.23 0.12 0.26 115.64 116.63 2kem s THR 90 Ca 0.49 -1.70 -0.12 0.00 -1.18 0.00 0.00 61.69 59.18 2kem s THR 90 Cb -0.24 -1.26 -0.08 0.00 1.34 0.00 0.00 72.50 72.26 2kem s THR 90 CO 0.30 -0.93 0.71 0.00 -0.54 0.00 0.00 174.62 174.17 2kem s PHE 92 N -2.12 3.38 0.34 0.00 0.40 0.26 0.61 117.98 120.86 2kem s PHE 92 Ca 0.52 -2.62 0.08 0.00 -0.60 0.00 0.00 56.93 54.30 2kem s PHE 92 Cb -0.10 -2.43 -0.03 0.00 0.51 0.00 0.00 43.02 40.96 2kem s PHE 92 CO 0.24 -0.91 0.27 0.95 0.70 0.00 0.00 175.22 176.47 2kem s THR 93 N 1.05 3.35 0.23 0.64 -4.23 0.24 -1.99 115.64 114.92 2kem s THR 93 Ca 0.03 -1.43 0.16 0.00 -1.18 0.00 0.00 61.69 59.28 2kem s THR 93 Cb -0.19 -3.13 0.09 0.00 1.34 0.00 0.00 72.50 70.61 2kem s THR 93 CO -0.08 -0.16 1.72 0.28 -0.54 0.00 0.00 174.62 175.84 2kem h SER 94 N 1.28 0.00 -1.11 3.99 0.02 -1.75 -3.30 113.55 112.67 2kem h SER 94 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2kem h SER 94 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2kem h SER 94 CO 0.59 0.43 0.00 -2.67 -1.14 0.00 0.00 176.83 174.05 2kem n TRP 95 N -3.67 -0.89 -0.36 3.45 4.27 -1.26 -2.14 117.44 116.85 2kem n TRP 95 Ca -0.01 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.30 2kem n TRP 95 Cb 0.52 0.00 0.29 0.00 -1.36 0.00 0.00 31.31 30.76 2kem n TRP 95 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 2kem s SER 96 N -1.00 -1.00 0.00 -0.67 1.04 -1.17 -4.56 113.70 106.35 2kem s SER 96 Ca 0.00 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.36 2kem s SER 96 Cb 0.00 -1.33 0.00 0.00 0.10 0.00 0.00 66.02 64.79 2kem s SER 96 CO 0.00 -5.34 0.00 -0.81 0.98 0.00 0.00 173.24 168.07 2kem n PRO 97 N -5.62 0.00 0.00 4.02 -0.04 -1.26 -4.91 135.00 127.19 2kem n PRO 97 Ca 0.12 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2kem n PRO 97 Cb 0.59 -0.51 0.00 0.00 -0.04 0.00 0.00 33.50 33.54 2kem n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kem h PHE 99 N 0.00 0.90 -0.90 0.00 -5.15 -1.88 -0.53 116.94 109.38 2kem h PHE 99 Ca 0.00 0.02 0.12 0.00 -0.20 0.00 0.00 57.97 57.91 2kem h PHE 99 Cb 0.00 -0.30 -0.07 0.00 0.22 0.00 0.00 35.95 35.80 2kem h PHE 99 CO 0.00 0.52 0.58 0.77 -2.00 0.00 0.00 178.31 178.18 2kem h SER 100 N 0.94 0.76 0.72 -0.68 0.02 -1.96 0.50 113.55 113.85 2kem h SER 100 Ca 0.30 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.15 2kem h SER 100 Cb 0.01 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 2kem h SER 100 CO -0.11 0.42 -0.64 0.00 -1.14 0.00 0.00 176.83 175.37 2kem h ALA 102 N 1.36 1.53 0.07 0.00 0.00 0.15 0.72 119.26 123.09 2kem h ALA 102 Ca -0.01 0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.67 2kem h ALA 102 Cb 1.17 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.84 2kem h ALA 102 CO 0.08 0.10 -1.15 1.96 0.00 0.00 0.00 179.25 180.24 2kem h GLN 103 N 0.87 0.62 0.44 0.00 4.20 -1.25 -2.08 115.11 117.90 2kem h GLN 103 Ca 0.52 -0.75 -0.02 0.00 0.06 0.00 0.00 58.65 58.46 2kem h GLN 103 Cb 0.64 0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.66 2kem h GLN 103 CO -0.31 1.33 -0.21 0.93 -0.67 0.00 0.00 178.83 179.89 2kem h GLU 104 N 0.31 -0.56 -0.14 1.46 5.08 -0.93 -1.74 114.58 118.05 2kem h GLU 104 Ca -0.15 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 2kem h GLU 104 Cb 1.81 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.18 2kem h GLU 104 CO 0.22 -0.26 -0.08 0.52 -1.00 0.00 0.00 179.01 178.41 2kem h MET 105 N -0.98 0.21 0.68 2.33 2.86 0.25 -2.87 114.93 117.41 2kem h MET 105 Ca -0.06 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 2kem h MET 105 Cb 0.57 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.20 2kem h MET 105 CO 0.10 0.31 -0.33 0.00 1.06 0.00 0.00 176.91 178.05 2kem h ALA 106 N 1.72 -0.97 -0.90 6.32 0.00 -1.36 0.82 119.26 124.89 2kem h ALA 106 Ca 0.05 -0.20 0.25 0.00 0.00 0.00 0.00 54.91 55.00 2kem h ALA 106 Cb 0.28 0.35 -0.15 0.00 0.00 0.00 0.00 17.79 18.27 2kem h ALA 106 CO 0.01 -0.91 0.17 -0.22 0.00 0.00 0.00 179.25 178.30 2kem h LYS 107 N -1.16 0.13 0.06 0.00 3.64 -1.23 3.73 116.57 121.74 2kem h LYS 107 Ca -0.09 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.14 2kem h LYS 107 Cb 0.70 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2kem h LYS 107 CO 0.15 0.08 -0.68 0.35 -2.27 0.00 0.00 179.45 177.08 2kem h PHE 108 N 0.13 0.22 0.06 1.91 3.57 -1.49 -2.71 116.94 118.63 2kem h PHE 108 Ca 0.56 -0.16 -0.37 0.00 3.53 0.00 0.00 57.97 61.53 2kem h PHE 108 Cb 1.16 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 2kem h PHE 108 CO -0.33 1.27 -2.20 -0.89 -2.23 0.00 0.00 178.31 173.92 2kem n ILE 109 N -4.33 1.63 -0.07 1.41 -0.00 0.28 -2.48 119.36 115.81 2kem n ILE 109 Ca -0.18 -0.64 -0.08 0.00 -0.00 0.00 0.00 62.75 61.86 2kem n ILE 109 Cb 0.68 -1.50 -0.06 0.00 -0.00 0.00 0.00 39.64 38.77 2kem n ILE 109 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 2kem h SER 110 N 0.03 0.00 0.60 4.38 0.87 0.63 0.19 113.55 120.26 2kem h SER 110 Ca -0.49 -0.39 -0.08 0.00 -1.23 0.00 0.00 61.79 59.60 2kem h SER 110 Cb 1.99 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.94 2kem h SER 110 CO 0.01 0.81 -0.39 0.50 -0.53 0.00 0.00 176.83 177.23 2kem h LYS 111 N -1.00 0.00 0.00 2.24 3.64 0.32 -3.37 116.57 118.40 2kem h LYS 111 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2kem h LYS 111 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2kem h LYS 111 CO -0.02 0.39 -0.30 -1.71 -2.27 0.00 0.00 179.45 175.54 2kem n ASN 112 N -3.77 0.60 -1.75 4.20 5.15 -1.02 -4.99 115.26 113.68 2kem n ASN 112 Ca -0.01 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 2kem n ASN 112 Cb 0.47 -0.54 0.00 0.00 -0.53 0.00 0.00 39.78 39.18 2kem n ASN 112 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2kem n LYS 113 N -3.11 -3.84 -0.49 1.20 5.02 0.68 -4.97 118.16 112.66 2kem n LYS 113 Ca -0.04 2.90 -0.01 0.00 -2.02 0.00 0.00 58.31 59.14 2kem n LYS 113 Cb 0.15 -3.22 -0.01 0.00 -0.02 0.00 0.00 35.03 31.94 2kem n LYS 113 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 2kem n HIS 114 N 1.33 0.00 -3.47 2.13 1.44 -1.26 -5.05 115.22 110.34 2kem n HIS 114 Ca 0.00 -0.06 -0.10 0.00 -2.01 0.00 0.00 57.72 55.55 2kem n HIS 114 Cb 0.00 0.27 -0.02 0.00 0.12 0.00 0.00 29.99 30.36 2kem n HIS 114 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2kem s VAL 115 N 0.00 0.00 -0.18 0.61 0.11 -1.26 -4.46 120.40 115.23 2kem s VAL 115 Ca 0.00 -0.03 -0.07 0.00 -2.93 0.00 0.00 61.98 58.96 2kem s VAL 115 Cb 0.00 -1.03 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 2kem s VAL 115 CO 0.00 0.00 0.04 -0.55 -3.33 0.00 0.00 175.10 171.26 2kem s SER 116 N -2.64 5.47 -0.20 3.54 0.15 -1.05 -4.95 113.70 114.02 2kem s SER 116 Ca 0.03 0.04 -0.00 0.00 0.70 0.00 0.00 55.95 56.72 2kem s SER 116 Cb -0.01 -1.92 0.05 0.00 -1.71 0.00 0.00 66.02 62.43 2kem s SER 116 CO -0.11 0.18 -0.03 -0.76 1.20 0.00 0.00 173.24 173.72 2kem s LEU 117 N 0.34 1.97 -0.58 3.45 2.01 -1.06 0.14 118.68 124.95 2kem s LEU 117 Ca 0.02 -0.94 0.03 0.00 0.01 0.00 0.00 54.13 53.25 2kem s LEU 117 Cb -0.13 -0.97 0.14 0.00 0.01 0.00 0.00 46.19 45.25 2kem s LEU 117 CO 0.01 -0.23 0.34 0.00 1.01 0.00 0.00 176.35 177.47 2kem s ILE 119 N -0.52 4.54 -0.02 0.00 1.09 -0.60 0.10 121.20 125.80 2kem s ILE 119 Ca 0.19 0.02 -0.30 0.00 -1.10 0.00 0.00 60.65 59.46 2kem s ILE 119 Cb -0.21 -4.47 -0.03 0.00 -1.06 0.00 0.00 42.46 36.69 2kem s ILE 119 CO -0.04 -1.03 1.11 -0.54 -0.10 0.00 0.00 174.94 174.35 2kem s LYS 120 N 3.54 4.44 -0.18 2.79 -0.14 0.20 -1.03 119.74 129.36 2kem s LYS 120 Ca 0.25 1.59 -0.00 0.00 -1.36 0.00 0.00 55.97 56.45 2kem s LYS 120 Cb -0.15 -3.47 0.04 0.00 -1.68 0.00 0.00 37.83 32.57 2kem s LYS 120 CO 0.17 -0.28 -0.06 -0.08 -0.76 0.00 0.00 175.35 174.34 2kem s THR 121 N 1.57 1.22 0.55 2.17 -1.32 0.21 0.79 115.64 120.83 2kem s THR 121 Ca 0.54 -0.75 0.24 0.00 -1.21 0.00 0.00 61.69 60.51 2kem s THR 121 Cb -0.24 -1.40 0.35 0.00 -1.51 0.00 0.00 72.50 69.70 2kem s THR 121 CO 0.25 0.10 2.07 0.00 -2.21 0.00 0.00 174.62 174.83 2kem h ALA 122 N 8.08 2.13 -1.95 11.08 0.00 -1.51 -1.84 119.26 135.24 2kem h ALA 122 Ca -0.24 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.71 2kem h ALA 122 Cb 1.11 0.02 -0.21 0.00 0.00 0.00 0.00 17.79 18.71 2kem h ALA 122 CO 0.41 -0.37 -0.00 0.50 0.00 0.00 0.00 179.25 179.79 2kem s ARG 123 N -4.89 0.64 -0.22 0.00 3.52 -1.23 -4.68 118.95 112.09 2kem s ARG 123 Ca -0.05 1.26 -0.29 0.00 -0.13 0.00 0.00 55.73 56.52 2kem s ARG 123 Cb 0.17 0.37 -0.02 0.00 -1.56 0.00 0.00 34.95 33.92 2kem s ARG 123 CO 0.65 -0.16 1.43 0.42 -0.81 0.00 0.00 175.30 176.83 2kem s ILE 124 N 2.04 3.97 -0.50 4.11 1.01 -1.26 -3.02 121.20 127.54 2kem s ILE 124 Ca -0.09 1.12 -0.34 0.00 0.00 0.00 0.00 60.65 61.35 2kem s ILE 124 Cb -0.07 -3.91 -0.13 0.00 0.01 0.00 0.00 42.46 38.36 2kem s ILE 124 CO -0.19 -0.31 2.32 0.00 0.00 0.00 0.00 174.94 176.76 2kem n TYR 125 N 7.65 1.35 -4.00 3.97 9.36 -1.26 -4.90 117.16 129.33 2kem n TYR 125 Ca 0.16 0.31 -0.31 0.00 3.32 0.00 0.00 57.90 61.38 2kem n TYR 125 Cb 0.45 -2.50 -0.15 0.00 -0.63 0.00 0.00 39.34 36.51 2kem n TYR 125 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2kem s ASP 126 N 8.34 4.68 -0.06 2.98 2.15 -1.26 -4.03 116.67 129.46 2kem s ASP 126 Ca 1.13 -2.28 -0.10 0.00 0.43 0.00 0.00 52.55 51.74 2kem s ASP 126 Cb -0.87 -1.61 -0.03 0.00 -0.30 0.00 0.00 42.92 40.11 2kem s ASP 126 CO 0.47 -0.36 -0.19 0.47 -0.17 0.00 0.00 175.17 175.39 2kem n ASP 127 N 4.09 1.54 -2.36 -0.34 9.92 -1.26 -4.92 116.55 123.22 2kem n ASP 127 Ca 0.04 0.24 -0.01 0.00 -0.53 0.00 0.00 54.79 54.53 2kem n ASP 127 Cb 0.40 -0.55 0.06 0.00 -0.64 0.00 0.00 41.12 40.39 2kem n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kem n GLN 128 N -4.01 1.14 -0.12 -1.24 6.02 -1.26 -4.95 117.38 112.96 2kem n GLN 128 Ca -0.09 -2.19 0.00 0.00 -0.01 0.00 0.00 57.00 54.71 2kem n GLN 128 Cb 0.31 -0.42 0.00 0.00 1.02 0.00 0.00 30.24 31.16 2kem n GLN 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kem n GLY 129 N -0.69 1.84 3.60 1.08 0.00 -1.26 -5.11 105.19 104.65 2kem n GLY 129 Ca -0.06 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 2kem n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kem s ARG 130 N -1.12 2.08 0.00 1.61 3.00 -1.26 -4.72 118.95 118.54 2kem s ARG 130 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 55.73 54.11 2kem s ARG 130 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 34.95 32.96 2kem s ARG 130 CO 0.00 0.27 0.00 0.00 0.00 0.00 0.00 175.30 175.57 2kem n ALA 131 N -0.86 0.00 -0.33 2.13 0.00 -1.26 -4.35 120.51 115.84 2kem n ALA 131 Ca -0.05 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.62 2kem n ALA 131 Cb 0.60 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.51 2kem n ALA 131 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2kem h GLN 132 N 0.00 0.33 -0.07 0.00 3.07 -1.85 0.99 115.11 117.58 2kem h GLN 132 Ca 0.00 -0.02 -0.17 0.00 0.09 0.00 0.00 58.65 58.55 2kem h GLN 132 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 27.48 2kem h GLN 132 CO 0.00 0.22 -0.68 0.93 0.09 0.00 0.00 178.83 179.39 2kem h GLU 133 N 0.34 0.32 -0.17 0.06 4.39 -1.87 -2.08 114.58 115.58 2kem h GLU 133 Ca 0.72 -0.25 0.04 0.00 0.34 0.00 0.00 59.36 60.21 2kem h GLU 133 Cb 1.61 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 30.26 2kem h GLU 133 CO -0.60 0.89 -0.12 0.78 -1.16 0.00 0.00 179.01 178.80 2kem h GLY 134 N 1.41 -0.00 2.00 -3.84 0.00 0.81 -2.02 103.07 101.43 2kem h GLY 134 Ca -0.02 0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.38 2kem h GLY 134 CO 0.11 -0.13 -0.39 1.41 0.00 0.00 0.00 176.54 177.54 2kem h LEU 135 N -0.13 0.00 0.26 3.11 4.07 -1.50 -2.85 115.31 118.26 2kem h LEU 135 Ca 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 2kem h LEU 135 Cb 0.28 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 2kem h LEU 135 CO -0.25 0.39 -0.30 0.08 -1.08 0.00 0.00 178.44 177.28 2kem h ARG 136 N 0.00 -0.55 -0.11 1.13 0.11 -0.67 1.41 114.38 115.70 2kem h ARG 136 Ca -0.00 0.04 -0.13 0.00 0.10 0.00 0.00 59.98 59.98 2kem h ARG 136 Cb 1.25 0.13 -0.01 0.00 1.11 0.00 0.00 29.97 32.44 2kem h ARG 136 CO 0.05 -0.37 -0.50 1.15 0.10 0.00 0.00 179.97 180.40 2kem h THR 137 N -0.57 1.34 0.11 0.08 2.02 -1.56 -2.08 112.91 112.25 2kem h THR 137 Ca -0.03 -1.73 -0.01 0.00 0.77 0.00 0.00 66.41 65.41 2kem h THR 137 Cb 0.51 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 2kem h THR 137 CO -0.06 0.52 -0.05 -0.07 0.37 0.00 0.00 175.52 176.22 2kem h LEU 138 N 0.24 -0.13 -1.66 2.58 3.38 -1.30 -1.71 115.31 116.71 2kem h LEU 138 Ca 0.01 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.14 2kem h LEU 138 Cb 0.96 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 2kem h LEU 138 CO 0.08 -0.04 0.66 0.00 0.09 0.00 0.00 178.44 179.23 2kem h ALA 139 N -1.83 2.26 -0.03 1.53 0.00 1.16 1.37 119.26 123.73 2kem h ALA 139 Ca -0.02 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 2kem h ALA 139 Cb 0.12 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2kem h ALA 139 CO 0.03 -0.93 -0.77 0.93 0.00 0.00 0.00 179.25 178.50 2kem h GLU 140 N 0.00 0.23 0.00 0.00 4.39 -1.28 -3.40 114.58 114.52 2kem h GLU 140 Ca 0.25 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2kem h GLU 140 Cb 1.57 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.27 2kem h GLU 140 CO -0.00 0.89 0.00 0.00 -1.16 0.00 0.00 179.01 178.74 2kem n ALA 141 N -2.47 0.00 0.21 3.43 0.00 0.41 -4.98 120.51 117.11 2kem n ALA 141 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.52 2kem n ALA 141 Cb 0.73 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.34 2kem n ALA 141 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kem h GLY 142 N 0.00 0.00 0.00 0.00 0.00 0.13 -3.14 103.07 100.06 2kem h GLY 142 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kem h GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2kem n ALA 143 N -2.12 0.00 -1.92 3.60 0.00 0.23 -4.50 120.51 115.80 2kem n ALA 143 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 2kem n ALA 143 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.96 2kem n ALA 143 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kem s LYS 144 N 0.00 2.39 -0.78 0.00 2.20 0.28 0.16 119.74 123.99 2kem s LYS 144 Ca 0.00 0.30 -0.26 0.00 -0.36 0.00 0.00 55.97 55.65 2kem s LYS 144 Cb 0.00 -4.75 0.03 0.00 -1.51 0.00 0.00 37.83 31.60 2kem s LYS 144 CO 0.00 -3.32 1.37 0.42 -0.36 0.00 0.00 175.35 173.46 2kem s ILE 145 N 10.69 3.71 0.60 5.43 -1.09 -1.26 -1.55 121.20 137.73 2kem s ILE 145 Ca 0.75 0.19 -0.07 0.00 -2.23 0.00 0.00 60.65 59.30 2kem s ILE 145 Cb -0.11 -4.84 -0.00 0.00 -1.58 0.00 0.00 42.46 35.94 2kem s ILE 145 CO 0.10 -1.77 0.92 -0.44 -1.23 0.00 0.00 174.94 172.53 2kem s SER 146 N 4.40 5.71 -0.07 3.58 0.01 -0.19 -4.90 113.70 122.23 2kem s SER 146 Ca 0.40 0.86 -0.22 0.00 1.31 0.00 0.00 55.95 58.30 2kem s SER 146 Cb -0.07 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 2kem s SER 146 CO 0.11 -1.03 0.66 -0.63 0.41 0.00 0.00 173.24 172.77 2kem s ILE 147 N -3.03 5.07 -1.26 1.44 1.09 -1.26 -0.62 121.20 122.63 2kem s ILE 147 Ca 0.54 1.35 -0.14 0.00 -1.10 0.00 0.00 60.65 61.31 2kem s ILE 147 Cb -0.11 -4.00 0.15 0.00 -1.06 0.00 0.00 42.46 37.44 2kem s ILE 147 CO 0.47 0.27 1.62 0.80 -0.10 0.00 0.00 174.94 178.00 2kem n MET 148 N 3.73 3.36 -1.34 2.79 1.56 -0.69 -4.58 117.12 121.95 2kem n MET 148 Ca -0.02 -3.61 0.00 0.00 -0.27 0.00 0.00 57.70 53.79 2kem n MET 148 Cb 0.51 -3.11 0.00 0.00 2.15 0.00 0.00 33.22 32.77 2kem n MET 148 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2kem n THR 149 N 4.70 0.00 -0.31 1.12 -2.24 -1.26 -4.36 114.28 111.93 2kem n THR 149 Ca 0.40 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.36 2kem n THR 149 Cb 0.42 -0.60 0.33 0.00 -2.10 0.00 0.00 70.33 68.38 2kem n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kem n TYR 150 N -0.57 0.69 0.16 4.78 0.18 -1.26 0.33 117.16 121.47 2kem n TYR 150 Ca 0.00 1.09 -0.12 0.00 1.88 0.00 0.00 57.90 60.75 2kem n TYR 150 Cb 0.00 -1.25 -0.07 0.00 -0.38 0.00 0.00 39.34 37.63 2kem n TYR 150 CO 0.00 0.00 0.00 0.77 -2.08 0.00 0.00 176.86 175.55 2kem h SER 151 N 0.00 -0.37 0.52 9.48 0.02 -1.94 -1.13 113.55 120.13 2kem h SER 151 Ca 0.60 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 2kem h SER 151 Cb 1.35 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.98 2kem h SER 151 CO -0.82 0.04 0.00 -0.08 -1.14 0.00 0.00 176.83 174.83 2kem h GLU 152 N -0.85 0.00 0.24 3.45 4.57 -1.11 -2.88 114.58 118.00 2kem h GLU 152 Ca -0.04 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2kem h GLU 152 Cb 0.52 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 2kem h GLU 152 CO 0.07 0.00 -0.12 0.35 -1.18 0.00 0.00 179.01 178.14 2kem h PHE 153 N 0.00 -0.30 -1.05 0.92 3.57 0.59 0.84 116.94 121.50 2kem h PHE 153 Ca 0.00 -0.01 0.32 0.00 3.53 0.00 0.00 57.97 61.81 2kem h PHE 153 Cb 0.26 0.10 -0.14 0.00 2.79 0.00 0.00 35.95 38.97 2kem h PHE 153 CO 0.00 -0.19 0.63 -0.22 -2.23 0.00 0.00 178.31 176.30 2kem h LYS 154 N -0.85 0.32 -0.11 1.11 3.64 -1.08 1.35 116.57 120.95 2kem h LYS 154 Ca -0.03 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.12 2kem h LYS 154 Cb 0.25 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2kem h LYS 154 CO 0.06 0.21 -0.73 0.45 -2.27 0.00 0.00 179.45 177.17 2kem h HIS 155 N 0.33 0.94 0.43 1.91 3.86 -1.52 -2.87 115.15 118.23 2kem h HIS 155 Ca 0.72 -0.43 -0.02 0.00 -1.16 0.00 0.00 60.37 59.47 2kem h HIS 155 Cb 1.73 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 30.07 2kem h HIS 155 CO -0.01 1.25 -0.21 0.00 0.86 0.00 0.00 177.93 179.83 2kem h TRP 157 N -0.69 -1.69 0.00 0.00 2.91 0.11 0.67 115.95 117.26 2kem h TRP 157 Ca -0.06 0.09 0.00 0.00 1.13 0.00 0.00 58.89 60.05 2kem h TRP 157 Cb 0.50 0.80 0.00 0.00 -0.51 0.00 0.00 29.16 29.95 2kem h TRP 157 CO -0.02 -0.47 0.00 -0.25 -1.03 0.00 0.00 178.44 176.67 2kem n ASP 158 N -5.30 0.00 -0.05 2.65 9.92 -1.08 0.33 116.55 123.02 2kem n ASP 158 Ca -0.03 -0.01 -0.12 0.00 -0.53 0.00 0.00 54.79 54.10 2kem n ASP 158 Cb 0.32 -0.28 -0.07 0.00 -0.64 0.00 0.00 41.12 40.46 2kem n ASP 158 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kem h THR 159 N 0.00 1.31 0.00 -3.53 1.03 0.39 -3.40 112.91 108.71 2kem h THR 159 Ca 0.00 -1.06 -0.14 0.00 -0.01 0.00 0.00 66.41 65.20 2kem h THR 159 Cb 0.19 1.71 -0.02 0.00 -1.07 0.00 0.00 68.15 68.96 2kem h THR 159 CO 0.00 0.31 -1.49 0.33 -0.01 0.00 0.00 175.52 174.66 2kem n PHE 160 N -4.68 0.00 -3.11 0.00 -0.00 -1.05 -4.83 117.46 103.79 2kem n PHE 160 Ca -0.06 0.00 -0.45 0.00 -0.00 0.00 0.00 57.45 56.94 2kem n PHE 160 Cb 0.28 -0.32 -0.04 0.00 -0.00 0.00 0.00 39.48 39.39 2kem n PHE 160 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 2kem s VAL 161 N -2.17 4.88 0.33 -2.13 1.01 0.15 -3.59 120.40 118.89 2kem s VAL 161 Ca -0.12 -1.20 0.11 0.00 0.00 0.00 0.00 61.98 60.77 2kem s VAL 161 Cb 0.04 -4.52 0.34 0.00 0.00 0.00 0.00 36.38 32.24 2kem s VAL 161 CO 0.18 -1.16 1.62 -2.24 0.00 0.00 0.00 175.10 173.50 2kem h ASP 162 N 9.02 0.15 0.00 3.32 2.03 -1.77 -3.08 116.42 126.09 2kem h ASP 162 Ca -0.21 0.23 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 2kem h ASP 162 Cb 1.08 0.27 0.00 0.00 -0.83 0.00 0.00 39.33 39.84 2kem h ASP 162 CO 1.07 -0.26 0.00 0.00 -1.03 0.00 0.00 179.24 179.02 2kem n HIS 163 N -5.23 0.00 -2.17 4.15 1.44 -1.26 -4.69 115.22 107.47 2kem n HIS 163 Ca 0.29 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.90 2kem n HIS 163 Cb 0.94 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 31.04 2kem n HIS 163 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 2kem n GLN 164 N 0.00 -2.08 0.00 -1.40 7.27 -1.26 0.12 117.38 120.02 2kem n GLN 164 Ca 0.00 0.52 0.00 0.00 0.07 0.00 0.00 57.00 57.59 2kem n GLN 164 Cb 0.00 -5.00 0.00 0.00 2.41 0.00 0.00 30.24 27.65 2kem n GLN 164 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kem n GLY 165 N -0.61 0.75 3.06 1.69 0.00 -1.26 -5.08 105.19 103.74 2kem n GLY 165 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 2kem n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kem s ALA 166 N -2.00 2.26 0.00 4.61 0.00 0.32 -5.06 121.76 121.89 2kem s ALA 166 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.61 2kem s ALA 166 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.80 2kem s ALA 166 CO 0.00 -0.73 0.95 -0.35 0.00 0.00 0.00 175.76 175.63 2kem n PRO 167 N 4.60 0.00 -4.14 0.00 -0.04 -1.26 -4.09 135.00 130.06 2kem n PRO 167 Ca -0.17 0.48 -0.14 0.00 -0.04 0.00 0.00 63.50 63.63 2kem n PRO 167 Cb 0.47 -1.45 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 2kem n PRO 167 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2kem s PHE 168 N -2.81 0.96 0.05 0.54 -0.71 -1.26 -4.66 117.98 110.08 2kem s PHE 168 Ca 0.00 -0.61 -0.07 0.00 -1.04 0.00 0.00 56.93 55.22 2kem s PHE 168 Cb 0.00 -0.54 -0.05 0.00 -1.21 0.00 0.00 43.02 41.22 2kem s PHE 168 CO 0.00 -0.03 0.31 -0.65 -1.34 0.00 0.00 175.22 173.51 2kem s GLN 169 N -2.39 3.62 -0.15 1.99 -1.52 -1.26 -5.05 119.66 114.92 2kem s GLN 169 Ca 0.01 -0.03 -0.14 0.00 -1.95 0.00 0.00 55.36 53.25 2kem s GLN 169 Cb -0.05 -3.03 -0.11 0.00 -0.22 0.00 0.00 33.01 29.60 2kem s GLN 169 CO 0.00 0.60 0.16 -1.00 -0.25 0.00 0.00 175.29 174.80 2kem h PRO 170 N 3.72 0.00 0.00 2.91 0.13 -1.99 -3.42 132.00 133.36 2kem h PRO 170 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kem h PRO 170 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kem h PRO 170 CO 0.68 0.44 0.00 1.87 -0.23 0.00 0.00 178.00 180.76 2kem n TRP 171 N -4.62 0.00 0.00 1.56 -0.00 -1.26 -4.76 117.44 108.36 2kem n TRP 171 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.38 2kem n TRP 171 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.65 2kem n TRP 171 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 2kem n ASP 172 N 1.91 0.00 -0.01 5.87 2.03 -1.26 -4.57 116.55 120.52 2kem n ASP 172 Ca 0.00 0.00 0.23 0.00 0.52 0.00 0.00 54.79 55.54 2kem n ASP 172 Cb 0.00 0.00 0.71 0.00 -0.72 0.00 0.00 41.12 41.11 2kem n ASP 172 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2kem h GLY 173 N 0.00 0.00 2.00 0.27 0.00 -1.99 1.01 103.07 104.36 2kem h GLY 173 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kem h GLY 173 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.54 176.71 2kem h LEU 174 N 0.00 0.00 -0.42 3.11 -0.00 -1.88 -1.88 115.31 114.24 2kem h LEU 174 Ca 0.29 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 58.00 2kem h LEU 174 Cb 1.44 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.10 2kem h LEU 174 CO -0.00 0.00 -0.47 -0.78 -0.00 0.00 0.00 178.44 177.19 2kem h ASP 175 N 0.00 0.89 -0.11 0.17 1.82 0.73 0.19 116.42 120.10 2kem h ASP 175 Ca 0.00 -0.44 -0.00 0.00 -0.39 0.00 0.00 57.03 56.20 2kem h ASP 175 Cb 0.46 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 2kem h ASP 175 CO 0.00 1.21 0.07 -0.08 -1.61 0.00 0.00 179.24 178.83 2kem h GLU 176 N 0.65 0.15 0.00 0.28 4.81 -1.36 -0.24 114.58 118.86 2kem h GLU 176 Ca 0.04 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2kem h GLU 176 Cb 1.05 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 2kem h GLU 176 CO 0.10 0.15 -0.02 0.45 -0.73 0.00 0.00 179.01 178.96 2kem h HIS 177 N 0.11 0.00 0.15 0.92 3.86 -1.35 -2.36 115.15 116.48 2kem h HIS 177 Ca 0.04 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2kem h HIS 177 Cb 0.04 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 2kem h HIS 177 CO -0.06 0.02 -0.11 1.03 0.86 0.00 0.00 177.93 179.68 2kem h SER 178 N 0.00 -0.27 0.52 2.45 0.87 0.12 2.84 113.55 120.08 2kem h SER 178 Ca -0.00 0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.44 2kem h SER 178 Cb 0.40 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 2kem h SER 178 CO 0.00 -0.17 -0.63 0.06 -0.53 0.00 0.00 176.83 175.57 2kem h GLN 179 N -0.26 0.10 0.00 2.24 3.07 -1.26 -2.11 115.11 116.90 2kem h GLN 179 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.66 2kem h GLN 179 Cb 0.23 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.80 2kem h GLN 179 CO -0.00 0.69 -0.00 -0.44 0.09 0.00 0.00 178.83 179.17 2kem h ASP 180 N 0.07 0.00 -0.67 0.06 5.19 -0.98 -2.34 116.42 117.76 2kem h ASP 180 Ca -0.01 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.52 2kem h ASP 180 Cb 1.12 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.50 2kem h ASP 180 CO 0.09 0.01 -0.30 0.25 -3.12 0.00 0.00 179.24 176.18 2kem h LEU 181 N -0.03 -1.04 -0.32 1.55 6.46 0.49 0.21 115.31 122.63 2kem h LEU 181 Ca 0.00 0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 2kem h LEU 181 Cb 0.00 0.56 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 2kem h LEU 181 CO 0.00 -0.29 0.21 -1.28 -0.62 0.00 0.00 178.44 176.47 2kem h SER 182 N -0.10 0.37 -0.32 1.25 0.87 -1.34 -0.39 113.55 113.89 2kem h SER 182 Ca 0.28 -0.01 0.09 0.00 -1.23 0.00 0.00 61.79 60.92 2kem h SER 182 Cb 0.55 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 2kem h SER 182 CO -0.73 0.27 0.29 1.23 -0.53 0.00 0.00 176.83 177.36 2kem h GLY 183 N 0.43 0.00 0.60 5.77 0.00 -0.25 -0.38 103.07 109.25 2kem h GLY 183 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 2kem h GLY 183 CO -0.02 0.00 -0.36 3.21 0.00 0.00 0.00 176.54 179.36 2kem h ARG 184 N 0.00 0.28 -0.88 4.80 3.08 0.91 -1.72 114.38 120.85 2kem h ARG 184 Ca 0.15 -0.27 0.21 0.00 0.07 0.00 0.00 59.98 60.13 2kem h ARG 184 Cb 0.73 0.07 -0.12 0.00 0.08 0.00 0.00 29.97 30.73 2kem h ARG 184 CO -0.00 0.97 0.38 -0.07 -1.07 0.00 0.00 179.97 180.17 2kem h LEU 185 N -0.30 0.33 -0.70 3.04 4.07 -0.02 1.61 115.31 123.33 2kem h LEU 185 Ca -0.04 0.15 -0.09 0.00 0.08 0.00 0.00 57.88 57.97 2kem h LEU 185 Cb 1.08 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 2kem h LEU 185 CO 0.07 0.02 -0.44 0.03 -1.08 0.00 0.00 178.44 177.05 2kem h ARG 186 N 0.41 0.00 0.00 1.13 -0.00 -1.43 0.12 114.38 114.62 2kem h ARG 186 Ca 0.54 0.00 -0.23 0.00 -0.50 0.00 0.00 59.98 59.79 2kem h ARG 186 Cb 0.99 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.92 2kem h ARG 186 CO -0.51 0.44 -1.34 0.00 0.00 0.00 0.00 179.97 178.56 2kem h ALA 187 N 1.56 0.62 0.10 0.04 0.00 0.17 -3.34 119.26 118.40 2kem h ALA 187 Ca -0.00 -1.11 -0.36 0.00 0.00 0.00 0.00 54.91 53.43 2kem h ALA 187 Cb 1.04 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2kem h ALA 187 CO 0.06 1.30 -2.02 0.44 0.00 0.00 0.00 179.25 179.02 2kem n ILE 188 N -3.13 1.74 -0.17 0.00 -5.35 0.47 0.17 119.36 113.09 2kem n ILE 188 Ca -0.09 -0.66 -0.02 0.00 -0.27 0.00 0.00 62.75 61.71 2kem n ILE 188 Cb 0.96 -1.63 0.06 0.00 -1.74 0.00 0.00 39.64 37.29 2kem n ILE 188 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2kem h LEU 189 N 0.06 -0.36 -3.11 7.28 -0.00 -0.91 -2.78 115.31 115.49 2kem h LEU 189 Ca -0.43 0.14 -0.08 0.00 -0.00 0.00 0.00 57.88 57.52 2kem h LEU 189 Cb 2.02 0.28 -0.09 0.00 -0.00 0.00 0.00 40.66 42.87 2kem h LEU 189 CO 0.07 -0.13 -0.60 1.67 -0.00 0.00 0.00 178.44 179.45 2kem n GLN 190 N -5.31 1.62 -2.17 1.13 7.27 -1.25 -4.75 117.38 113.91 2kem n GLN 190 Ca 0.06 -3.25 -0.11 0.00 0.07 0.00 0.00 57.00 53.76 2kem n GLN 190 Cb 0.29 -1.51 -0.02 0.00 2.41 0.00 0.00 30.24 31.41 2kem n GLN 190 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 2kem n ASN 191 N -0.89 -3.52 -4.78 1.69 5.15 -0.96 -4.89 115.26 107.05 2kem n ASN 191 Ca 0.20 0.23 -0.37 0.00 -0.60 0.00 0.00 54.58 54.04 2kem n ASN 191 Cb 0.77 -3.08 -0.03 0.00 -0.53 0.00 0.00 39.78 36.91 2kem n ASN 191 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2kem s GLN 192 N -4.52 4.02 -0.08 1.20 -1.52 0.13 -4.92 119.66 113.96 2kem s GLN 192 Ca 0.00 1.67 -0.11 0.00 -1.95 0.00 0.00 55.36 54.97 2kem s GLN 192 Cb 0.00 -2.54 -0.08 0.00 -0.22 0.00 0.00 33.01 30.17 2kem s GLN 192 CO 0.00 -0.31 0.42 0.93 -0.25 0.00 0.00 175.29 176.08 2kem h GLU 193 N 2.41 -0.17 0.00 2.91 5.08 -1.88 -3.37 114.58 119.56 2kem h GLU 193 Ca -0.49 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2kem h GLU 193 Cb 1.23 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2kem h GLU 193 CO 0.62 0.08 0.00 -1.71 -1.00 0.00 0.00 179.01 177.00