#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 -1.24 -4.92 119.36 124.99 2kem n ILE 2 Ca 0.00 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.54 2kem n ILE 2 Cb 0.00 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 38.80 2kem n ILE 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2kem h LEU 3 N 0.00 0.74 -0.50 1.39 5.85 -1.93 -0.51 115.31 120.36 2kem h LEU 3 Ca 0.00 -0.83 0.00 0.00 0.84 0.00 0.00 57.88 57.89 2kem h LEU 3 Cb 0.00 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.80 2kem h LEU 3 CO 0.00 1.50 -0.35 -1.14 -0.34 0.00 0.00 178.44 178.11 2kem n ARG 4 N -3.94 0.77 -0.04 1.25 0.63 -1.26 -4.04 116.66 110.03 2kem n ARG 4 Ca -0.13 -0.50 -0.21 0.00 -0.92 0.00 0.00 57.85 56.09 2kem n ARG 4 Cb 0.90 -1.49 -0.13 0.00 0.45 0.00 0.00 32.46 32.18 2kem n ARG 4 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2kem n HIS 5 N -0.68 0.89 0.00 -0.14 8.25 -1.21 -4.94 115.22 117.39 2kem n HIS 5 Ca 0.11 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 2kem n HIS 5 Cb 0.37 -1.11 0.00 0.00 1.12 0.00 0.00 29.99 30.36 2kem n HIS 5 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kem n SER 6 N -3.53 0.00 -3.03 0.41 2.88 -0.20 -4.56 113.62 105.59 2kem n SER 6 Ca -0.36 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.18 2kem n SER 6 Cb 1.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.46 2kem n SER 6 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 2kem n MET 7 N -0.44 1.18 -3.40 -1.46 1.56 -1.19 -3.60 117.12 109.77 2kem n MET 7 Ca 0.00 0.00 -0.36 0.00 -0.27 0.00 0.00 57.70 57.07 2kem n MET 7 Cb 0.00 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.31 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 -1.03 6.83 0.22 6.12 2.15 -1.26 -4.73 116.67 124.97 2kem s ASP 8 Ca 0.00 1.04 -0.08 0.00 0.43 0.00 0.00 52.55 53.95 2kem s ASP 8 Cb 0.00 -2.28 0.35 0.00 -0.30 0.00 0.00 42.92 40.69 2kem s ASP 8 CO 0.00 0.17 1.72 -0.65 -0.17 0.00 0.00 175.17 176.24 2kem h PRO 9 N 3.89 0.33 -0.95 4.34 0.11 -1.92 -0.14 132.00 137.67 2kem h PRO 9 Ca -0.49 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 2kem h PRO 9 Cb 1.20 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 2kem h PRO 9 CO 0.65 0.22 0.12 -0.35 -0.21 0.00 0.00 178.00 178.43 2kem n PRO 10 N -5.07 1.73 -0.04 1.05 -0.04 -1.26 -4.11 135.00 127.26 2kem n PRO 10 Ca 0.11 -0.96 -0.03 0.00 -0.04 0.00 0.00 63.50 62.57 2kem n PRO 10 Cb 0.35 -1.52 -0.01 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.07 0.73 -0.09 0.52 -1.04 -0.06 -4.23 114.28 110.18 2kem n THR 11 Ca 0.15 0.34 -0.11 0.00 -2.04 0.00 0.00 64.05 62.39 2kem n THR 11 Cb 0.74 -1.94 -0.05 0.00 -1.82 0.00 0.00 70.33 67.26 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 -3.46 0.81 0.33 -1.42 3.01 -1.26 -2.08 117.46 113.39 2kem n PHE 12 Ca -0.05 0.35 0.22 0.00 1.01 0.00 0.00 57.45 58.98 2kem n PHE 12 Cb 0.19 -0.84 1.17 0.00 -0.01 0.00 0.00 39.48 39.99 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 1.43 112.91 116.85 2kem h THR 13 Ca -0.13 0.00 -0.13 0.00 -0.01 0.00 0.00 66.41 66.14 2kem h THR 13 Cb 0.83 0.95 -0.02 0.00 -1.07 0.00 0.00 68.15 68.84 2kem h THR 13 CO -0.08 0.00 -1.02 0.33 -0.01 0.00 0.00 175.52 174.74 2kem n PHE 14 N -3.02 0.83 -0.06 0.00 -0.00 -1.26 -4.05 117.46 109.90 2kem n PHE 14 Ca -0.03 0.36 -0.22 0.00 -0.00 0.00 0.00 57.45 57.56 2kem n PHE 14 Cb 0.08 -0.91 -0.13 0.00 -0.00 0.00 0.00 39.48 38.52 2kem n PHE 14 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2kem n ASN 15 N -4.50 2.01 0.00 -2.13 3.02 -0.88 -4.18 115.26 108.60 2kem n ASN 15 Ca -0.22 0.25 0.11 0.00 -0.03 0.00 0.00 54.58 54.69 2kem n ASN 15 Cb 0.50 -0.84 0.59 0.00 -0.61 0.00 0.00 39.78 39.43 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 -3.84 0.00 -3.53 3.10 3.01 0.46 -4.04 117.46 112.62 2kem n PHE 16 Ca -0.36 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 57.72 2kem n PHE 16 Cb 0.91 -0.24 -0.10 0.00 -0.01 0.00 0.00 39.48 40.04 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 -2.48 6.15 -1.69 4.37 3.84 0.33 -4.27 114.94 121.20 2kem s ASN 17 Ca 0.24 0.16 -0.00 0.00 0.21 0.00 0.00 52.86 53.47 2kem s ASN 17 Cb 0.15 -2.15 0.00 0.00 -0.55 0.00 0.00 41.25 38.70 2kem s ASN 17 CO 0.34 -0.06 0.02 0.59 -2.79 0.00 0.00 177.10 175.20 2kem n ASN 18 N 4.88 -5.68 -3.35 -4.21 5.03 -1.26 -4.86 115.26 105.81 2kem n ASN 18 Ca -0.12 -0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.21 2kem n ASN 18 Cb 0.52 -4.73 -0.08 0.00 -1.02 0.00 0.00 39.78 34.47 2kem n ASN 18 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2kem s GLU 19 N -5.07 0.36 0.54 3.52 0.41 -1.26 -5.01 118.70 112.18 2kem s GLU 19 Ca 0.01 0.14 0.41 0.00 -0.41 0.00 0.00 54.97 55.12 2kem s GLU 19 Cb -0.01 -0.50 1.59 0.00 -1.78 0.00 0.00 34.13 33.44 2kem s GLU 19 CO 0.01 -0.93 1.71 -1.35 -0.49 0.00 0.00 175.26 174.22 2kem h PRO 20 N 8.20 0.02 0.00 0.39 0.11 -1.89 -3.42 132.00 135.42 2kem h PRO 20 Ca -0.13 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 2kem h PRO 20 Cb 1.12 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2kem h PRO 20 CO 0.29 0.01 0.00 -2.67 -0.21 0.00 0.00 178.00 175.42 2kem n TRP 21 N -4.15 -0.09 -0.82 0.65 2.14 -1.26 -4.58 117.44 109.33 2kem n TRP 21 Ca 0.33 0.00 -0.33 0.00 2.07 0.00 0.00 57.50 59.57 2kem n TRP 21 Cb 1.52 0.00 0.11 0.00 -0.81 0.00 0.00 31.31 32.13 2kem n TRP 21 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 2kem n VAL 22 N 0.00 0.00 0.03 -1.67 0.31 -1.26 -4.81 118.33 110.93 2kem n VAL 22 Ca 0.00 -0.24 0.17 0.00 -0.01 0.00 0.00 64.34 64.25 2kem n VAL 22 Cb 0.00 -0.52 0.65 0.00 -0.91 0.00 0.00 33.84 33.06 2kem n VAL 22 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 2kem h ARG 23 N -1.50 0.07 -3.21 5.55 0.11 -1.99 -3.36 114.38 110.05 2kem h ARG 23 Ca -0.44 -0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.14 2kem h ARG 23 Cb 1.29 -0.02 -0.40 0.00 1.11 0.00 0.00 29.97 31.95 2kem h ARG 23 CO 0.33 0.05 -0.76 0.20 0.10 0.00 0.00 179.97 179.88 2kem s GLY 24 N -3.99 0.52 -0.47 0.08 0.00 -1.26 -5.09 107.32 97.11 2kem s GLY 24 Ca -0.05 -0.60 -0.44 0.00 0.00 0.00 0.00 44.72 43.63 2kem s GLY 24 CO 0.72 1.67 1.92 -0.96 0.00 0.00 0.00 173.10 176.45 2kem n ARG 25 N 5.18 0.21 -3.65 2.90 1.85 -1.26 -4.88 116.66 117.01 2kem n ARG 25 Ca -0.07 0.07 -0.02 0.00 -1.00 0.00 0.00 57.85 56.83 2kem n ARG 25 Cb 0.47 -1.65 -0.07 0.00 -1.05 0.00 0.00 32.46 30.17 2kem n ARG 25 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 2kem s HIS 26 N 4.87 -0.11 -1.05 2.89 2.46 -1.26 -5.00 115.29 118.09 2kem s HIS 26 Ca 1.12 0.24 -0.03 0.00 0.47 0.00 0.00 55.06 56.86 2kem s HIS 26 Cb -1.40 0.33 0.00 0.00 -0.13 0.00 0.00 32.58 31.38 2kem s HIS 26 CO 0.70 -0.05 0.89 0.39 -2.47 0.00 0.00 174.74 174.20 2kem n GLU 27 N 2.19 -5.95 -1.02 2.88 -0.58 -1.26 -4.95 120.64 111.96 2kem n GLU 27 Ca -0.13 0.70 -0.35 0.00 -0.42 0.00 0.00 57.16 56.96 2kem n GLU 27 Cb 0.57 -5.31 0.07 0.00 -0.57 0.00 0.00 31.44 26.20 2kem n GLU 27 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2kem n THR 28 N -3.98 0.41 -3.73 2.62 -1.04 -1.26 -4.71 114.28 102.60 2kem n THR 28 Ca -0.15 -0.38 -0.12 0.00 -2.04 0.00 0.00 64.05 61.37 2kem n THR 28 Cb 0.61 -0.37 -0.12 0.00 -1.82 0.00 0.00 70.33 68.62 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 -2.11 -0.39 -0.06 -1.42 -0.85 -1.26 -2.82 117.35 108.44 2kem s TYR 29 Ca 0.53 0.90 0.04 0.00 -0.52 0.00 0.00 57.07 58.02 2kem s TYR 29 Cb -0.26 0.11 -0.00 0.00 0.38 0.00 0.00 41.96 42.18 2kem s TYR 29 CO 0.70 -0.25 -0.18 -0.48 -1.52 0.00 0.00 175.55 173.82 2kem s LEU 30 N 1.16 1.91 -0.11 -3.49 0.05 -0.35 -4.08 118.68 113.77 2kem s LEU 30 Ca -0.08 -0.39 -0.20 0.00 0.05 0.00 0.00 54.13 53.51 2kem s LEU 30 Cb -0.09 -1.06 -0.04 0.00 -2.05 0.00 0.00 46.19 42.95 2kem s LEU 30 CO -0.08 0.14 0.54 0.00 -0.55 0.00 0.00 176.35 176.39 2kem s TYR 32 N 0.71 3.47 -0.18 0.00 1.13 -1.11 0.11 117.35 121.47 2kem s TYR 32 Ca 0.29 0.43 -0.01 0.00 -1.41 0.00 0.00 57.07 56.37 2kem s TYR 32 Cb -0.16 -1.90 0.05 0.00 -1.10 0.00 0.00 41.96 38.86 2kem s TYR 32 CO 0.12 0.66 -0.02 -2.00 -2.51 0.00 0.00 175.55 171.80 2kem s GLU 33 N -0.98 1.14 0.09 -3.49 2.12 -0.68 -2.44 118.70 114.46 2kem s GLU 33 Ca 0.14 -0.53 0.09 0.00 0.36 0.00 0.00 54.97 55.03 2kem s GLU 33 Cb -0.12 -2.08 -0.03 0.00 0.26 0.00 0.00 34.13 32.16 2kem s GLU 33 CO 0.03 -0.53 -0.23 0.14 -0.54 0.00 0.00 175.26 174.14 2kem s VAL 34 N 1.69 1.86 0.48 3.70 -7.23 -1.23 0.27 120.40 119.94 2kem s VAL 34 Ca -0.01 -1.52 0.07 0.00 -1.81 0.00 0.00 61.98 58.71 2kem s VAL 34 Cb -0.16 -1.66 0.01 0.00 0.56 0.00 0.00 36.38 35.13 2kem s VAL 34 CO -0.07 0.05 0.44 -1.61 -0.31 0.00 0.00 175.10 173.60 2kem s GLU 35 N -1.76 2.39 -0.24 4.82 2.02 -0.87 -4.76 118.70 120.30 2kem s GLU 35 Ca 0.09 -1.74 -0.05 0.00 0.02 0.00 0.00 54.97 53.29 2kem s GLU 35 Cb -0.10 -2.30 -0.00 0.00 0.10 0.00 0.00 34.13 31.83 2kem s GLU 35 CO 0.04 -0.44 -0.00 1.03 0.02 0.00 0.00 175.26 175.91 2kem s ARG 36 N -4.25 3.29 -0.38 1.61 0.52 0.04 -2.13 118.95 117.65 2kem s ARG 36 Ca 0.45 -0.70 -0.15 0.00 -0.52 0.00 0.00 55.73 54.81 2kem s ARG 36 Cb -0.03 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.31 2kem s ARG 36 CO 0.27 -0.28 0.33 -1.64 0.02 0.00 0.00 175.30 174.00 2kem s MET 37 N 1.48 3.30 -0.78 3.54 -1.94 0.25 0.72 119.30 125.87 2kem s MET 37 Ca 0.04 -0.70 0.02 0.00 -1.71 0.00 0.00 55.69 53.35 2kem s MET 37 Cb -0.15 -3.88 0.30 0.00 2.01 0.00 0.00 34.83 33.10 2kem s MET 37 CO -0.01 -0.63 1.12 0.72 -0.01 0.00 0.00 175.02 176.21 2kem n HIS 38 N 5.30 3.31 -3.91 -0.03 8.25 -0.97 -3.93 115.22 123.24 2kem n HIS 38 Ca -0.10 -3.52 -0.26 0.00 -0.26 0.00 0.00 57.72 53.57 2kem n HIS 38 Cb 0.48 -0.79 -0.01 0.00 1.12 0.00 0.00 29.99 30.79 2kem n HIS 38 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2kem n ASN 39 N 0.55 -0.95 0.00 0.41 2.85 -1.26 -3.03 115.26 113.83 2kem n ASN 39 Ca 0.32 -1.00 0.00 0.00 -0.11 0.00 0.00 54.58 53.79 2kem n ASN 39 Cb 0.37 -3.13 0.00 0.00 1.24 0.00 0.00 39.78 38.26 2kem n ASN 39 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2kem n ASP 40 N -2.94 0.00 -4.91 1.20 2.03 -1.26 -5.12 116.55 105.54 2kem n ASP 40 Ca -0.28 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.75 2kem n ASP 40 Cb 0.67 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.09 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 -0.88 4.45 -0.43 5.18 2.01 -1.17 -5.07 115.64 119.75 2kem s THR 41 Ca 0.00 0.19 0.06 0.00 0.31 0.00 0.00 61.69 62.25 2kem s THR 41 Cb 0.00 -3.72 0.17 0.00 0.01 0.00 0.00 72.50 68.96 2kem s THR 41 CO 0.00 -0.74 0.56 -1.66 -0.69 0.00 0.00 174.62 172.09 2kem s TRP 42 N -2.87 -1.09 -0.95 4.92 -2.14 -0.82 -2.29 118.94 113.71 2kem s TRP 42 Ca 0.50 -0.44 -0.24 0.00 2.66 0.00 0.00 56.10 58.58 2kem s TRP 42 Cb -0.10 0.02 0.05 0.00 -3.10 0.00 0.00 33.47 30.34 2kem s TRP 42 CO 0.46 -1.12 1.39 0.08 -2.66 0.00 0.00 176.95 175.10 2kem s VAL 43 N 1.36 3.91 0.10 -0.66 1.01 0.22 -4.63 120.40 121.71 2kem s VAL 43 Ca 0.21 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 2kem s VAL 43 Cb -0.06 -5.01 -0.25 0.00 0.00 0.00 0.00 36.38 31.06 2kem s VAL 43 CO -0.06 -1.90 1.20 0.07 0.00 0.00 0.00 175.10 174.41 2kem h LYS 44 N 9.81 0.30 0.00 2.72 -0.00 -1.87 0.16 116.57 127.69 2kem h LYS 44 Ca 0.09 -0.43 0.00 0.00 -0.00 0.00 0.00 60.65 60.30 2kem h LYS 44 Cb 1.02 0.15 0.00 0.00 -0.00 0.00 0.00 32.23 33.40 2kem h LYS 44 CO 1.38 1.17 0.00 1.28 -0.00 0.00 0.00 179.45 183.28 2kem n LEU 45 N -3.60 0.00 0.00 7.07 4.77 -1.26 -3.77 117.00 120.21 2kem n LEU 45 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2kem n LEU 45 Cb 0.96 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.05 2kem n LEU 45 CO 0.53 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.39 2kem n ASN 46 N 2.37 0.00 -1.34 -1.43 5.15 -1.26 -5.15 115.26 113.59 2kem n ASN 46 Ca 0.00 0.00 0.16 0.00 -0.60 0.00 0.00 54.58 54.14 2kem n ASN 46 Cb 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.18 2kem n ASN 46 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2kem n GLN 47 N 0.00 -2.80 0.00 1.20 -0.06 -1.25 -4.97 117.38 109.50 2kem n GLN 47 Ca 0.00 2.13 0.00 0.00 -2.00 0.00 0.00 57.00 57.13 2kem n GLN 47 Cb 0.00 -3.40 0.00 0.00 -4.06 0.00 0.00 30.24 22.78 2kem n GLN 47 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2kem n ARG 48 N -4.07 0.00 0.00 3.69 3.00 -1.25 -4.81 116.66 113.23 2kem n ARG 48 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 2kem n ARG 48 Cb 0.65 -0.05 0.00 0.00 0.00 0.00 0.00 32.46 33.06 2kem n ARG 48 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2kem n ARG 49 N -1.51 0.00 0.00 -0.14 1.85 -1.17 -5.06 116.66 110.63 2kem n ARG 49 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2kem n ARG 49 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2kem n ARG 49 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kem n GLY 50 N 0.00 1.30 0.00 2.89 0.00 -1.02 -4.82 105.19 103.53 2kem n GLY 50 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.80 0.00 -1.94 1.61 7.35 -0.06 -2.77 117.46 119.85 2kem n PHE 51 Ca 0.00 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.44 2kem n PHE 51 Cb 0.00 0.00 0.17 0.00 0.35 0.00 0.00 39.48 40.00 2kem n PHE 51 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2kem n LEU 52 N 0.00 0.00 -3.13 -2.13 7.99 -1.19 -4.69 117.00 113.85 2kem n LEU 52 Ca 0.00 -1.40 -0.01 0.00 -0.01 0.00 0.00 56.01 54.59 2kem n LEU 52 Cb 0.00 -0.86 -0.01 0.00 -0.11 0.00 0.00 43.42 42.44 2kem n LEU 52 CO 0.00 -1.28 0.09 0.00 -1.51 0.00 0.00 177.39 174.68 2kem s ALA 53 N -3.84 -2.26 0.11 -1.18 0.00 -1.26 -1.21 121.76 112.12 2kem s ALA 53 Ca 0.66 0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.76 2kem s ALA 53 Cb -0.02 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 2kem s ALA 53 CO 0.46 -2.22 -0.20 -0.80 0.00 0.00 0.00 175.76 173.00 2kem s ASN 54 N 1.65 2.51 0.20 0.00 -0.87 -1.13 -4.74 114.94 112.56 2kem s ASN 54 Ca 0.19 -0.70 0.11 0.00 -1.57 0.00 0.00 52.86 50.88 2kem s ASN 54 Cb -0.04 -0.14 -0.04 0.00 -0.02 0.00 0.00 41.25 41.01 2kem s ASN 54 CO -0.07 0.04 -0.18 -1.58 -2.57 0.00 0.00 177.10 172.75 2kem s GLN 55 N -2.00 1.74 -0.25 -0.60 2.00 -1.15 -0.40 119.66 119.00 2kem s GLN 55 Ca 0.07 -1.47 -0.02 0.00 -2.00 0.00 0.00 55.36 51.94 2kem s GLN 55 Cb -0.10 -1.95 0.03 0.00 0.80 0.00 0.00 33.01 31.79 2kem s GLN 55 CO 0.04 0.40 -0.06 0.00 -0.50 0.00 0.00 175.29 175.18 2kem s ALA 56 N -1.81 2.71 1.00 1.58 0.00 -1.20 -4.01 121.76 120.02 2kem s ALA 56 Ca 0.24 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.72 2kem s ALA 56 Cb -0.08 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.34 2kem s ALA 56 CO 0.13 -0.84 0.00 -0.35 0.00 0.00 0.00 175.76 174.69 2kem n PRO 57 N 4.66 -1.25 -0.09 0.00 -0.04 -1.25 -4.89 135.00 132.14 2kem n PRO 57 Ca -0.16 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.18 2kem n PRO 57 Cb 0.47 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.84 2kem n PRO 57 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2kem n HIS 58 N -2.55 0.00 -0.04 0.54 8.25 -1.26 -4.48 115.22 115.68 2kem n HIS 58 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 2kem n HIS 58 Cb 0.00 -0.68 -0.01 0.00 1.12 0.00 0.00 29.99 30.43 2kem n HIS 58 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2kem h LYS 59 N 0.00 0.00 -2.42 -0.41 3.11 -2.03 -3.39 116.57 111.43 2kem h LYS 59 Ca -0.39 0.00 -0.56 0.00 -2.81 0.00 0.00 60.65 56.89 2kem h LYS 59 Cb 1.64 0.00 -0.10 0.00 -1.00 0.00 0.00 32.23 32.77 2kem h LYS 59 CO -0.05 0.00 1.67 1.58 -2.81 0.00 0.00 179.45 179.84 2kem n HIS 60 N -4.01 1.83 1.07 1.91 -0.00 -1.26 -4.54 115.22 110.22 2kem n HIS 60 Ca -0.03 -2.41 0.06 0.00 0.46 0.00 0.00 57.72 55.80 2kem n HIS 60 Cb 0.11 -1.81 0.18 0.00 -0.12 0.00 0.00 29.99 28.35 2kem n HIS 60 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kem n GLY 61 N 2.01 0.39 0.06 1.57 0.00 -1.26 -3.03 105.19 104.92 2kem n GLY 61 Ca 0.59 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 46.30 2kem n GLY 61 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kem n PHE 62 N 0.36 0.29 -0.10 1.61 3.72 -1.26 -3.20 117.46 118.88 2kem n PHE 62 Ca 0.11 0.09 -0.21 0.00 -0.05 0.00 0.00 57.45 57.39 2kem n PHE 62 Cb 0.26 -0.79 -0.07 0.00 -0.94 0.00 0.00 39.48 37.94 2kem n PHE 62 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2kem n LEU 63 N -2.55 1.46 -0.59 4.37 -0.00 -1.24 -4.70 117.00 113.76 2kem n LEU 63 Ca -0.12 0.25 0.07 0.00 -0.00 0.00 0.00 56.01 56.21 2kem n LEU 63 Cb 0.77 -0.61 0.20 0.00 -0.00 0.00 0.00 43.42 43.79 2kem n LEU 63 CO 0.44 0.37 0.62 -1.84 -0.00 0.00 0.00 177.39 176.98 2kem n GLU 64 N -3.94 1.99 -0.88 1.96 0.28 -1.17 -4.79 120.64 114.09 2kem n GLU 64 Ca -0.38 -2.84 -0.10 0.00 -0.16 0.00 0.00 57.16 53.68 2kem n GLU 64 Cb 0.76 -1.69 -0.09 0.00 1.43 0.00 0.00 31.44 31.85 2kem n GLU 64 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kem n GLY 65 N -1.03 3.05 3.11 -1.84 0.00 -1.19 -3.86 105.19 103.43 2kem n GLY 65 Ca 0.21 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 45.17 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 0.23 0.74 0.41 1.61 1.04 -1.26 -4.76 118.95 116.95 2kem s ARG 66 Ca 0.42 -0.77 0.08 0.00 -1.04 0.00 0.00 55.73 54.42 2kem s ARG 66 Cb 0.22 -0.67 -0.03 0.00 -2.04 0.00 0.00 34.95 32.42 2kem s ARG 66 CO -0.02 0.15 0.31 -1.01 -0.04 0.00 0.00 175.30 174.69 2kem s HIS 67 N -1.07 2.69 0.46 5.89 3.76 -1.25 -2.94 115.29 122.83 2kem s HIS 67 Ca -0.03 -0.50 0.34 0.00 -0.15 0.00 0.00 55.06 54.72 2kem s HIS 67 Cb -0.09 -2.07 1.50 0.00 1.11 0.00 0.00 32.58 33.03 2kem s HIS 67 CO 0.01 0.00 1.61 0.00 -0.85 0.00 0.00 174.74 175.51 2kem h ALA 68 N 1.18 2.95 0.62 -1.40 0.00 -0.98 0.87 119.26 122.49 2kem h ALA 68 Ca -0.42 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2kem h ALA 68 Cb 1.26 0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.26 2kem h ALA 68 CO 0.61 -1.58 -0.30 0.93 0.00 0.00 0.00 179.25 178.92 2kem h GLU 69 N 0.05 -0.80 -0.32 0.00 3.07 -1.90 0.33 114.58 115.00 2kem h GLU 69 Ca 0.85 0.05 0.05 0.00 -0.50 0.00 0.00 59.36 59.81 2kem h GLU 69 Cb 2.82 0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 30.90 2kem h GLU 69 CO -0.36 -0.50 0.22 -0.07 -1.40 0.00 0.00 179.01 176.90 2kem h LEU 70 N -0.96 0.19 -1.17 1.33 4.07 0.13 0.78 115.31 119.68 2kem h LEU 70 Ca -0.09 -0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.83 2kem h LEU 70 Cb 0.68 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.35 2kem h LEU 70 CO 0.14 0.12 0.08 0.00 -1.08 0.00 0.00 178.44 177.70 2kem h PHE 72 N 0.64 0.91 -0.28 0.00 3.57 0.44 -1.67 116.94 120.54 2kem h PHE 72 Ca 0.14 -0.21 0.08 0.00 3.53 0.00 0.00 57.97 61.51 2kem h PHE 72 Cb 0.28 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2kem h PHE 72 CO 0.01 0.95 0.34 -0.07 -2.23 0.00 0.00 178.31 177.31 2kem h LEU 73 N 0.60 0.00 0.08 0.59 4.07 0.76 0.36 115.31 121.78 2kem h LEU 73 Ca 0.09 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 57.77 2kem h LEU 73 Cb 0.69 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 2kem h LEU 73 CO 0.05 0.00 -1.46 -0.78 -1.08 0.00 0.00 178.44 175.17 2kem h ASP 74 N 0.00 0.27 -0.77 -0.43 3.58 -0.44 -3.34 116.42 115.30 2kem h ASP 74 Ca 0.13 -0.38 0.11 0.00 0.42 0.00 0.00 57.03 57.31 2kem h ASP 74 Cb 0.81 -0.09 -0.08 0.00 1.72 0.00 0.00 39.33 41.69 2kem h ASP 74 CO -0.00 1.31 0.39 -0.37 -2.88 0.00 0.00 179.24 177.69 2kem h VAL 75 N 0.05 0.82 0.30 2.25 -1.51 0.44 -2.74 116.25 115.85 2kem h VAL 75 Ca -0.21 -0.22 -0.01 0.00 -1.23 0.00 0.00 66.70 65.03 2kem h VAL 75 Cb 1.97 0.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 2kem h VAL 75 CO 0.14 0.12 -0.26 0.40 -1.23 0.00 0.00 177.57 176.74 2kem h ILE 76 N 0.63 0.00 -1.41 7.19 1.08 -1.62 1.49 117.51 124.87 2kem h ILE 76 Ca 0.39 0.00 0.41 0.00 -0.39 0.00 0.00 64.86 65.27 2kem h ILE 76 Cb 0.45 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.14 2kem h ILE 76 CO -0.30 0.00 1.01 -0.65 -0.69 0.00 0.00 178.15 177.52 2kem h PRO 77 N -0.55 0.01 0.08 2.37 0.11 -1.63 0.22 132.00 132.61 2kem h PRO 77 Ca -0.04 -0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.70 2kem h PRO 77 Cb 0.47 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 2kem h PRO 77 CO -0.01 0.00 -2.09 0.34 -0.21 0.00 0.00 178.00 176.04 2kem n PHE 78 N -4.13 0.90 -0.09 0.65 7.35 -1.05 -4.05 117.46 117.04 2kem n PHE 78 Ca 0.31 0.20 0.26 0.00 -0.76 0.00 0.00 57.45 57.46 2kem n PHE 78 Cb 1.46 -1.12 0.72 0.00 0.35 0.00 0.00 39.48 40.89 2kem n PHE 78 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 2kem h TRP 79 N -0.04 0.00 -0.87 -5.13 4.06 0.51 -3.43 115.95 111.05 2kem h TRP 79 Ca -0.47 0.00 -0.24 0.00 2.06 0.00 0.00 58.89 60.24 2kem h TRP 79 Cb 1.94 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 30.03 2kem h TRP 79 CO 0.06 0.00 -0.24 1.63 -3.56 0.00 0.00 178.44 176.33 2kem n LYS 80 N -4.03 -0.86 -1.69 0.49 5.02 -0.07 -4.83 118.16 112.19 2kem n LYS 80 Ca 0.15 0.83 -0.57 0.00 -2.02 0.00 0.00 58.31 56.70 2kem n LYS 80 Cb 0.87 -4.88 -0.07 0.00 -0.02 0.00 0.00 35.03 30.93 2kem n LYS 80 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2kem n LEU 81 N -1.45 2.08 0.00 -0.35 -0.00 -1.14 -0.47 117.00 115.67 2kem n LEU 81 Ca -0.13 1.10 0.00 0.00 -0.00 0.00 0.00 56.01 56.98 2kem n LEU 81 Cb 0.45 -1.12 0.00 0.00 -0.00 0.00 0.00 43.42 42.75 2kem n LEU 81 CO 0.18 -0.62 0.00 -0.67 -0.00 0.00 0.00 177.39 176.28 2kem n ASP 82 N 4.62 0.00 0.24 1.96 -0.08 0.17 -4.65 116.55 118.81 2kem n ASP 82 Ca 0.25 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.66 2kem n ASP 82 Cb 0.12 0.00 0.56 0.00 2.34 0.00 0.00 41.12 44.14 2kem n ASP 82 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 2kem h LEU 83 N 0.00 0.00 0.00 -2.67 -0.00 -1.62 -3.33 115.31 107.69 2kem h LEU 83 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 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 0.15 -1.13 0.47 -0.00 0.00 0.00 178.44 177.93 2kem n ASP 84 N -3.33 3.46 -3.64 0.17 9.92 0.38 -5.08 116.55 118.44 2kem n ASP 84 Ca 0.00 -0.01 -0.03 0.00 -0.53 0.00 0.00 54.79 54.22 2kem n ASP 84 Cb 0.37 -0.04 -0.07 0.00 -0.64 0.00 0.00 41.12 40.75 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 -2.04 0.44 -0.19 -1.24 -2.07 -1.25 -5.07 119.66 108.23 2kem s GLN 85 Ca -0.03 0.77 -0.19 0.00 -1.82 0.00 0.00 55.36 54.08 2kem s GLN 85 Cb 0.01 0.11 -0.03 0.00 -1.09 0.00 0.00 33.01 32.00 2kem s GLN 85 CO 0.05 -0.09 0.56 0.34 -1.32 0.00 0.00 175.29 174.83 2kem s ASP 86 N 1.44 6.63 0.26 12.60 -1.08 -1.25 -0.66 116.67 134.60 2kem s ASP 86 Ca -0.09 0.75 0.11 0.00 -0.52 0.00 0.00 52.55 52.80 2kem s ASP 86 Cb -0.04 -2.32 -0.05 0.00 -1.46 0.00 0.00 42.92 39.06 2kem s ASP 86 CO -0.16 -0.21 -0.13 -0.31 0.52 0.00 0.00 175.17 174.88 2kem s TYR 87 N 1.68 2.46 -0.73 -5.34 1.51 -1.26 0.88 117.35 116.54 2kem s TYR 87 Ca 0.26 -0.29 -0.11 0.00 -1.01 0.00 0.00 57.07 55.93 2kem s TYR 87 Cb -0.16 -1.10 0.19 0.00 -0.11 0.00 0.00 41.96 40.79 2kem s TYR 87 CO 0.10 0.65 0.63 0.50 -1.11 0.00 0.00 175.55 176.32 2kem s ARG 88 N -3.42 3.21 0.10 -0.62 3.00 -0.91 -2.38 118.95 117.94 2kem s ARG 88 Ca 0.29 -2.39 -0.28 0.00 -1.00 0.00 0.00 55.73 52.35 2kem s ARG 88 Cb -0.06 -4.20 -0.06 0.00 0.00 0.00 0.00 34.95 30.63 2kem s ARG 88 CO 0.16 -1.26 0.89 0.08 0.00 0.00 0.00 175.30 175.18 2kem s VAL 89 N 0.27 4.54 -0.37 7.11 1.01 0.33 -2.04 120.40 131.25 2kem s VAL 89 Ca 0.16 1.92 0.00 0.00 0.00 0.00 0.00 61.98 64.06 2kem s VAL 89 Cb -0.15 -4.25 0.13 0.00 0.00 0.00 0.00 36.38 32.11 2kem s VAL 89 CO -0.06 0.35 0.21 0.42 0.00 0.00 0.00 175.10 176.02 2kem s THR 90 N -0.13 0.50 0.14 3.92 -4.23 0.14 -0.41 115.64 115.57 2kem s THR 90 Ca 0.44 -1.85 -0.24 0.00 -1.18 0.00 0.00 61.69 58.86 2kem s THR 90 Cb -0.23 -1.36 -0.08 0.00 1.34 0.00 0.00 72.50 72.18 2kem s THR 90 CO 0.28 -0.93 0.73 0.00 -0.54 0.00 0.00 174.62 174.16 2kem s PHE 92 N -1.07 3.45 0.20 0.00 0.40 0.30 0.68 117.98 121.94 2kem s PHE 92 Ca 0.35 -2.10 0.03 0.00 -0.60 0.00 0.00 56.93 54.61 2kem s PHE 92 Cb -0.22 -2.83 0.03 0.00 0.51 0.00 0.00 43.02 40.50 2kem s PHE 92 CO 0.25 -0.90 0.24 2.41 0.70 0.00 0.00 175.22 177.92 2kem n THR 93 N 4.65 0.00 0.02 0.64 -1.04 0.13 -1.55 114.28 117.14 2kem n THR 93 Ca -0.07 -0.71 0.05 0.00 -2.04 0.00 0.00 64.05 61.28 2kem n THR 93 Cb 0.42 -0.68 -0.09 0.00 -1.82 0.00 0.00 70.33 68.16 2kem n THR 93 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2kem n SER 94 N -2.51 0.52 -0.98 8.00 7.64 -1.26 -4.13 113.62 120.89 2kem n SER 94 Ca 0.04 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2kem n SER 94 Cb 0.21 0.83 0.00 0.00 -1.01 0.00 0.00 64.21 64.25 2kem n SER 94 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 2kem n TRP 95 N -2.65 -0.66 -0.54 1.43 4.27 -1.26 -2.31 117.44 115.72 2kem n TRP 95 Ca -0.09 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.23 2kem n TRP 95 Cb 0.73 0.00 0.23 0.00 -1.36 0.00 0.00 31.31 30.91 2kem n TRP 95 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2kem n SER 96 N -0.66 -1.57 0.00 -0.67 2.88 -1.25 -4.62 113.62 107.73 2kem n SER 96 Ca 0.00 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2kem n SER 96 Cb 0.00 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.21 2kem n SER 96 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2kem n PRO 97 N -4.39 0.00 0.00 -1.46 -0.04 -1.26 -4.85 135.00 123.00 2kem n PRO 97 Ca 0.04 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2kem n PRO 97 Cb 0.55 -0.55 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 0.93 -0.91 0.00 -5.15 -1.88 -0.90 116.94 109.03 2kem h PHE 99 Ca 0.00 0.03 0.15 0.00 -0.20 0.00 0.00 57.97 57.94 2kem h PHE 99 Cb 0.00 -0.30 -0.07 0.00 0.22 0.00 0.00 35.95 35.79 2kem h PHE 99 CO 0.00 0.52 0.58 0.77 -2.00 0.00 0.00 178.31 178.19 2kem h SER 100 N 0.96 0.67 0.61 -0.68 0.02 -1.96 0.72 113.55 113.88 2kem h SER 100 Ca 0.32 0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 61.17 2kem h SER 100 Cb 0.04 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2kem h SER 100 CO -0.12 0.33 -0.68 0.00 -1.14 0.00 0.00 176.83 175.21 2kem h ALA 102 N 1.26 1.69 0.06 0.00 0.00 0.17 0.74 119.26 123.19 2kem h ALA 102 Ca -0.01 0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.74 2kem h ALA 102 Cb 1.21 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.93 2kem h ALA 102 CO 0.09 -0.05 -0.94 1.96 0.00 0.00 0.00 179.25 180.31 2kem h GLN 103 N 0.76 0.53 0.50 0.00 4.20 -1.27 -1.98 115.11 117.86 2kem h GLN 103 Ca 0.57 -0.65 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 2kem h GLN 103 Cb 0.89 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.88 2kem h GLN 103 CO -0.37 1.26 -0.24 0.93 -0.67 0.00 0.00 178.83 179.75 2kem h GLU 104 N 0.08 -0.64 -0.18 1.46 3.07 -0.88 -0.94 114.58 116.55 2kem h GLU 104 Ca -0.14 0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.72 2kem h GLU 104 Cb 1.64 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 29.69 2kem h GLU 104 CO 0.18 -0.34 -0.09 0.52 -1.40 0.00 0.00 179.01 177.88 2kem h MET 105 N -0.90 0.28 0.57 2.33 2.86 0.27 -2.87 114.93 117.47 2kem h MET 105 Ca -0.07 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 2kem h MET 105 Cb 0.60 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.22 2kem h MET 105 CO 0.11 0.38 -0.27 0.00 1.06 0.00 0.00 176.91 178.18 2kem h ALA 106 N 1.65 -0.93 -0.93 6.32 0.00 -1.27 0.84 119.26 124.94 2kem h ALA 106 Ca 0.06 -0.17 0.27 0.00 0.00 0.00 0.00 54.91 55.07 2kem h ALA 106 Cb 0.33 0.30 -0.16 0.00 0.00 0.00 0.00 17.79 18.25 2kem h ALA 106 CO 0.02 -0.88 0.20 -0.22 0.00 0.00 0.00 179.25 178.36 2kem h LYS 107 N -0.98 0.11 0.07 0.00 3.64 -1.12 3.67 116.57 121.96 2kem h LYS 107 Ca -0.08 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.08 2kem h LYS 107 Cb 0.59 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2kem h LYS 107 CO 0.13 0.07 -1.09 0.35 -2.27 0.00 0.00 179.45 176.64 2kem h PHE 108 N 0.11 0.28 0.04 1.91 3.57 -1.50 -2.68 116.94 118.68 2kem h PHE 108 Ca 0.60 -0.20 -0.36 0.00 3.53 0.00 0.00 57.97 61.54 2kem h PHE 108 Cb 1.28 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.96 2kem h PHE 108 CO -0.32 1.43 -2.12 -0.89 -2.23 0.00 0.00 178.31 174.18 2kem n ILE 109 N -4.17 1.60 -0.07 1.41 -0.00 0.29 -1.94 119.36 116.48 2kem n ILE 109 Ca -0.23 -0.70 -0.09 0.00 -0.00 0.00 0.00 62.75 61.72 2kem n ILE 109 Cb 0.78 -1.26 -0.06 0.00 -0.00 0.00 0.00 39.64 39.09 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 0.02 0.00 0.70 4.38 0.87 0.62 0.24 113.55 120.39 2kem h SER 110 Ca -0.45 -0.32 -0.08 0.00 -1.23 0.00 0.00 61.79 59.70 2kem h SER 110 Cb 2.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.98 2kem h SER 110 CO 0.03 0.91 -0.38 0.50 -0.53 0.00 0.00 176.83 177.36 2kem h LYS 111 N -1.00 0.00 0.00 2.24 3.64 0.31 -3.37 116.57 118.39 2kem h LYS 111 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2kem h LYS 111 Cb 0.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2kem h LYS 111 CO -0.05 0.38 -0.44 -1.71 -2.27 0.00 0.00 179.45 175.36 2kem n ASN 112 N -3.65 1.00 -2.19 4.20 2.85 -1.01 -4.98 115.26 111.47 2kem n ASN 112 Ca -0.01 0.16 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 2kem n ASN 112 Cb 0.48 -0.53 0.00 0.00 1.24 0.00 0.00 39.78 40.97 2kem n ASN 112 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2kem n LYS 113 N -3.49 -4.73 -0.62 1.20 5.02 0.07 -4.96 118.16 110.65 2kem n LYS 113 Ca -0.06 3.47 -0.03 0.00 -2.02 0.00 0.00 58.31 59.68 2kem n LYS 113 Cb 0.23 -4.27 -0.03 0.00 -0.02 0.00 0.00 35.03 30.94 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 1.66 0.00 -3.47 2.13 1.44 -1.26 -5.04 115.22 110.67 2kem n HIS 114 Ca 0.00 -0.19 -0.11 0.00 -2.01 0.00 0.00 57.72 55.40 2kem n HIS 114 Cb 0.00 0.33 -0.03 0.00 0.12 0.00 0.00 29.99 30.41 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 -4.48 120.40 115.20 2kem s VAL 115 Ca 0.00 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.97 2kem s VAL 115 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2kem s VAL 115 CO 0.00 0.00 0.09 -0.55 -3.33 0.00 0.00 175.10 171.31 2kem s SER 116 N -2.32 5.90 -0.21 3.54 0.15 -1.00 -4.94 113.70 114.82 2kem s SER 116 Ca 0.01 0.18 -0.03 0.00 0.70 0.00 0.00 55.95 56.81 2kem s SER 116 Cb -0.01 -2.00 0.06 0.00 -1.71 0.00 0.00 66.02 62.37 2kem s SER 116 CO -0.07 0.22 0.05 -1.48 1.20 0.00 0.00 173.24 173.15 2kem s LEU 117 N 0.13 1.18 -0.49 3.45 -0.00 -1.03 0.12 118.68 122.04 2kem s LEU 117 Ca 0.07 -0.89 -0.02 0.00 -0.00 0.00 0.00 54.13 53.29 2kem s LEU 117 Cb -0.12 -0.58 0.13 0.00 -0.00 0.00 0.00 46.19 45.62 2kem s LEU 117 CO -0.00 -0.32 0.28 0.00 -0.00 0.00 0.00 176.35 176.30 2kem s ILE 119 N 0.57 4.46 0.03 0.00 1.09 -0.65 0.68 121.20 127.38 2kem s ILE 119 Ca 0.12 -0.22 -0.30 0.00 -1.10 0.00 0.00 60.65 59.15 2kem s ILE 119 Cb -0.22 -4.57 -0.05 0.00 -1.06 0.00 0.00 42.46 36.57 2kem s ILE 119 CO -0.04 -1.23 1.14 -0.54 -0.10 0.00 0.00 174.94 174.18 2kem s LYS 120 N 3.71 4.45 -0.19 2.79 -0.14 0.21 -1.14 119.74 129.44 2kem s LYS 120 Ca 0.23 1.67 -0.01 0.00 -1.36 0.00 0.00 55.97 56.50 2kem s LYS 120 Cb -0.16 -3.40 0.05 0.00 -1.68 0.00 0.00 37.83 32.64 2kem s LYS 120 CO 0.13 -0.23 -0.03 -0.08 -0.76 0.00 0.00 175.35 174.38 2kem s THR 121 N 1.20 1.07 0.33 2.17 -1.32 0.91 0.19 115.64 120.19 2kem s THR 121 Ca 0.57 -0.79 0.05 0.00 -1.21 0.00 0.00 61.69 60.31 2kem s THR 121 Cb -0.27 -1.37 0.30 0.00 -1.51 0.00 0.00 72.50 69.66 2kem s THR 121 CO 0.28 -0.03 1.90 0.00 -2.21 0.00 0.00 174.62 174.55 2kem h ALA 122 N 8.10 1.69 -1.57 11.08 0.00 -1.62 -0.81 119.26 136.13 2kem h ALA 122 Ca -0.20 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 2kem h ALA 122 Cb 1.10 -0.19 -0.27 0.00 0.00 0.00 0.00 17.79 18.43 2kem h ALA 122 CO 0.38 0.13 -0.48 0.50 0.00 0.00 0.00 179.25 179.78 2kem s ARG 123 N -5.77 0.44 0.02 0.00 3.52 -1.18 -4.60 118.95 111.38 2kem s ARG 123 Ca -0.10 0.33 -0.30 0.00 -0.13 0.00 0.00 55.73 55.52 2kem s ARG 123 Cb 0.21 -0.18 -0.07 0.00 -1.56 0.00 0.00 34.95 33.35 2kem s ARG 123 CO 0.79 -0.94 1.54 0.96 -0.81 0.00 0.00 175.30 176.84 2kem s ILE 124 N 2.61 3.42 -0.26 4.11 -4.36 -1.26 -3.85 121.20 121.61 2kem s ILE 124 Ca 0.11 0.79 -0.38 0.00 -0.26 0.00 0.00 60.65 60.90 2kem s ILE 124 Cb -0.13 -3.51 -0.14 0.00 1.25 0.00 0.00 42.46 39.93 2kem s ILE 124 CO -0.26 -0.01 1.85 0.00 0.24 0.00 0.00 174.94 176.75 2kem n TYR 125 N 5.76 2.03 -4.49 1.37 9.36 -1.26 -4.86 117.16 125.07 2kem n TYR 125 Ca 0.15 0.39 -0.29 0.00 3.32 0.00 0.00 57.90 61.47 2kem n TYR 125 Cb 0.42 -2.51 -0.13 0.00 -0.63 0.00 0.00 39.34 36.49 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 4.31 3.25 0.00 2.98 2.15 -1.26 -3.95 116.67 124.15 2kem s ASP 126 Ca 1.00 -0.71 0.00 0.00 0.43 0.00 0.00 52.55 53.26 2kem s ASP 126 Cb -0.97 -0.23 0.00 0.00 -0.30 0.00 0.00 42.92 41.42 2kem s ASP 126 CO 0.61 0.19 0.00 0.47 -0.17 0.00 0.00 175.17 176.27 2kem n ASP 127 N 1.10 0.00 0.14 -0.34 8.00 -1.26 -5.04 116.55 119.14 2kem n ASP 127 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2kem n ASP 127 Cb 0.53 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 2kem n ASP 127 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kem n GLN 128 N -1.09 0.00 -1.71 -1.24 6.02 -1.26 -4.99 117.38 113.10 2kem n GLN 128 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2kem n GLN 128 Cb 0.00 -0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 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 1.51 1.11 3.40 1.08 0.00 -1.26 -5.06 105.19 105.97 2kem n GLY 129 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.64 1.66 0.00 1.61 0.52 -1.26 -4.68 118.95 116.16 2kem s ARG 130 Ca 0.21 -1.21 0.00 0.00 -0.52 0.00 0.00 55.73 54.21 2kem s ARG 130 Cb 0.28 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.75 2kem s ARG 130 CO -0.10 0.48 0.00 0.00 0.02 0.00 0.00 175.30 175.71 2kem n ALA 131 N 1.20 0.00 -0.32 2.13 0.00 -1.26 -4.50 120.51 117.76 2kem n ALA 131 Ca -0.17 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.45 2kem n ALA 131 Cb 0.53 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.35 2kem n ALA 131 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2kem h GLN 132 N 0.00 0.14 -0.02 0.00 1.08 -1.87 1.14 115.11 115.58 2kem h GLN 132 Ca 0.00 -0.01 -0.18 0.00 -1.45 0.00 0.00 58.65 57.01 2kem h GLN 132 Cb 0.00 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 2kem h GLN 132 CO 0.00 0.09 -0.78 0.93 -0.95 0.00 0.00 178.83 178.12 2kem h GLU 133 N 0.14 0.19 -0.19 1.46 5.08 -1.83 -2.20 114.58 117.23 2kem h GLU 133 Ca 0.64 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.86 2kem h GLU 133 Cb 1.42 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.68 2kem h GLU 133 CO -0.73 0.88 -0.05 0.78 -1.00 0.00 0.00 179.01 178.89 2kem h GLY 134 N 1.76 0.14 2.00 -3.84 0.00 0.11 -2.33 103.07 100.91 2kem h GLY 134 Ca -0.03 0.06 -0.14 0.00 0.00 0.00 0.00 47.33 47.22 2kem h GLY 134 CO 0.12 -0.07 -0.68 1.41 0.00 0.00 0.00 176.54 177.32 2kem h LEU 135 N -0.00 0.00 0.06 3.11 4.07 -1.38 -2.83 115.31 118.33 2kem h LEU 135 Ca 0.09 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.06 2kem h LEU 135 Cb 0.14 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.85 2kem h LEU 135 CO -0.20 0.68 -0.32 0.08 -1.08 0.00 0.00 178.44 177.60 2kem h ARG 136 N 0.00 -0.43 -0.09 1.13 0.11 -0.85 1.75 114.38 115.99 2kem h ARG 136 Ca -0.01 0.03 -0.14 0.00 0.10 0.00 0.00 59.98 59.97 2kem h ARG 136 Cb 1.44 0.10 -0.01 0.00 1.11 0.00 0.00 29.97 32.60 2kem h ARG 136 CO 0.09 -0.28 -0.54 1.15 0.10 0.00 0.00 179.97 180.48 2kem h THR 137 N -0.44 1.36 0.11 0.08 2.02 -1.60 -2.20 112.91 112.24 2kem h THR 137 Ca -0.00 -1.83 -0.01 0.00 0.77 0.00 0.00 66.41 65.34 2kem h THR 137 Cb 0.45 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 2kem h THR 137 CO -0.18 0.55 -0.05 -0.07 0.37 0.00 0.00 175.52 176.13 2kem h LEU 138 N 0.21 -0.13 -1.69 2.58 3.38 -1.20 -1.63 115.31 116.83 2kem h LEU 138 Ca 0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.16 2kem h LEU 138 Cb 1.02 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2kem h LEU 138 CO 0.09 -0.04 0.70 0.00 0.09 0.00 0.00 178.44 179.27 2kem h ALA 139 N -1.83 2.39 -0.01 1.53 0.00 1.26 1.46 119.26 124.05 2kem h ALA 139 Ca -0.02 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 2kem h ALA 139 Cb 0.12 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2kem h ALA 139 CO 0.03 -1.02 -0.77 0.93 0.00 0.00 0.00 179.25 178.41 2kem h GLU 140 N 0.00 0.09 0.00 0.00 4.39 -1.29 -3.40 114.58 114.37 2kem h GLU 140 Ca 0.29 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2kem h GLU 140 Cb 1.69 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.36 2kem h GLU 140 CO -0.00 0.82 0.00 0.00 -1.16 0.00 0.00 179.01 178.66 2kem n ALA 141 N -2.43 0.00 0.22 3.43 0.00 0.44 -4.98 120.51 117.19 2kem n ALA 141 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.54 2kem n ALA 141 Cb 0.74 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.36 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 0.19 -3.15 103.07 100.11 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 -2.10 0.00 -1.90 3.60 0.00 0.23 -4.50 120.51 115.84 2kem n ALA 143 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 2kem n ALA 143 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 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 2.35 -0.43 0.00 2.20 0.18 0.16 119.74 124.21 2kem s LYS 144 Ca 0.00 0.32 -0.29 0.00 -0.36 0.00 0.00 55.97 55.64 2kem s LYS 144 Cb 0.00 -4.76 0.02 0.00 -1.51 0.00 0.00 37.83 31.58 2kem s LYS 144 CO 0.00 -3.37 1.19 0.42 -0.36 0.00 0.00 175.35 173.23 2kem s ILE 145 N 10.89 4.20 0.21 5.43 -1.09 -1.26 -1.63 121.20 137.94 2kem s ILE 145 Ca 0.77 1.26 0.05 0.00 -2.23 0.00 0.00 60.65 60.50 2kem s ILE 145 Cb -0.11 -4.47 -0.03 0.00 -1.58 0.00 0.00 42.46 36.27 2kem s ILE 145 CO 0.10 -0.84 0.27 -0.44 -1.23 0.00 0.00 174.94 172.81 2kem s SER 146 N 2.61 6.05 -0.19 3.58 0.01 -0.29 -4.88 113.70 120.59 2kem s SER 146 Ca 0.51 0.01 -0.26 0.00 1.31 0.00 0.00 55.95 57.51 2kem s SER 146 Cb -0.10 -1.72 -0.01 0.00 0.21 0.00 0.00 66.02 64.40 2kem s SER 146 CO 0.28 -0.01 0.86 -0.63 0.41 0.00 0.00 173.24 174.16 2kem s ILE 147 N -1.91 4.84 -1.32 1.44 1.09 -1.26 -0.07 121.20 124.02 2kem s ILE 147 Ca 0.33 1.69 -0.17 0.00 -1.10 0.00 0.00 60.65 61.40 2kem s ILE 147 Cb -0.09 -4.16 0.07 0.00 -1.06 0.00 0.00 42.46 37.22 2kem s ILE 147 CO 0.27 -0.02 1.79 0.80 -0.10 0.00 0.00 174.94 177.68 2kem n MET 148 N 5.52 3.17 -1.33 2.79 1.56 -0.31 -4.60 117.12 123.91 2kem n MET 148 Ca 0.06 -3.22 0.00 0.00 -0.27 0.00 0.00 57.70 54.26 2kem n MET 148 Cb 0.48 -3.43 0.00 0.00 2.15 0.00 0.00 33.22 32.42 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 6.05 0.00 -0.31 1.12 -2.24 -1.26 -4.29 114.28 113.34 2kem n THR 149 Ca 0.48 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 62.43 2kem n THR 149 Cb 0.45 -0.64 0.31 0.00 -2.10 0.00 0.00 70.33 68.35 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 -0.62 0.66 0.12 4.78 0.18 -1.26 0.32 117.16 121.34 2kem n TYR 150 Ca 0.00 1.10 -0.13 0.00 1.88 0.00 0.00 57.90 60.75 2kem n TYR 150 Cb 0.00 -1.24 -0.08 0.00 -0.38 0.00 0.00 39.34 37.64 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 -0.28 0.62 9.48 0.02 -1.94 -2.09 113.55 119.36 2kem h SER 151 Ca 0.59 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 2kem h SER 151 Cb 1.29 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.91 2kem h SER 151 CO -0.83 0.13 0.00 -0.08 -1.14 0.00 0.00 176.83 174.91 2kem h GLU 152 N -0.75 0.00 0.39 3.45 4.57 -1.09 -2.87 114.58 118.27 2kem h GLU 152 Ca -0.03 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 2kem h GLU 152 Cb 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 2kem h GLU 152 CO 0.06 0.00 -0.19 0.35 -1.18 0.00 0.00 179.01 178.05 2kem h PHE 153 N 0.00 -0.48 -0.97 0.92 3.57 0.55 0.54 116.94 121.07 2kem h PHE 153 Ca 0.00 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.69 2kem h PHE 153 Cb 0.31 0.16 -0.11 0.00 2.79 0.00 0.00 35.95 39.10 2kem h PHE 153 CO 0.00 -0.20 0.56 0.87 -2.23 0.00 0.00 178.31 177.32 2kem h LYS 154 N -1.05 0.65 -0.41 1.11 1.57 -1.21 1.22 116.57 118.45 2kem h LYS 154 Ca -0.05 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 2kem h LYS 154 Cb 0.50 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2kem h LYS 154 CO 0.09 0.43 -0.16 0.45 -0.57 0.00 0.00 179.45 179.69 2kem h HIS 155 N 0.67 0.86 -0.27 -1.35 3.86 -1.44 -2.77 115.15 114.70 2kem h HIS 155 Ca 0.58 -0.17 -0.02 0.00 -1.16 0.00 0.00 60.37 59.60 2kem h HIS 155 Cb 0.96 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 29.20 2kem h HIS 155 CO -0.03 0.87 0.10 0.00 0.86 0.00 0.00 177.93 179.73 2kem h TRP 157 N 0.28 -0.28 0.00 0.00 7.01 0.77 0.35 115.95 124.08 2kem h TRP 157 Ca 0.09 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.10 2kem h TRP 157 Cb 0.20 0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 2kem h TRP 157 CO -0.00 -0.08 0.00 -3.47 -2.79 0.00 0.00 178.44 172.10 2kem n ASP 158 N -3.15 0.00 -0.20 2.65 2.03 -1.07 0.13 116.55 116.93 2kem n ASP 158 Ca -0.01 0.46 -0.08 0.00 0.52 0.00 0.00 54.79 55.68 2kem n ASP 158 Cb 0.06 -0.47 0.02 0.00 -0.72 0.00 0.00 41.12 40.00 2kem n ASP 158 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kem h THR 159 N 0.00 1.25 0.00 5.18 1.03 0.19 -3.41 112.91 117.15 2kem h THR 159 Ca 0.00 -0.89 0.00 0.00 -0.01 0.00 0.00 66.41 65.51 2kem h THR 159 Cb 0.15 0.73 0.00 0.00 -1.07 0.00 0.00 68.15 67.96 2kem h THR 159 CO 0.00 0.33 -0.56 0.33 -0.01 0.00 0.00 175.52 175.61 2kem n PHE 160 N -4.38 0.00 -3.13 0.00 -0.00 -1.02 -4.73 117.46 104.20 2kem n PHE 160 Ca 0.03 0.00 -0.45 0.00 -0.00 0.00 0.00 57.45 57.03 2kem n PHE 160 Cb 0.24 0.07 -0.03 0.00 -0.00 0.00 0.00 39.48 39.75 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 -1.69 5.01 0.27 -2.13 1.01 0.34 -3.19 120.40 120.01 2kem s VAL 161 Ca 0.00 -1.50 0.01 0.00 0.00 0.00 0.00 61.98 60.49 2kem s VAL 161 Cb 0.00 -4.54 0.26 0.00 0.00 0.00 0.00 36.38 32.10 2kem s VAL 161 CO 0.00 -1.18 1.73 0.44 0.00 0.00 0.00 175.10 176.09 2kem h ASP 162 N 8.76 0.41 0.00 3.32 5.19 -1.80 -3.12 116.42 129.16 2kem h ASP 162 Ca -0.10 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2kem h ASP 162 Cb 1.06 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.65 2kem h ASP 162 CO 1.02 0.10 0.00 0.00 -3.12 0.00 0.00 179.24 177.24 2kem n HIS 163 N -4.97 0.00 -2.00 4.55 1.44 -1.26 -4.72 115.22 108.26 2kem n HIS 163 Ca 0.19 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.85 2kem n HIS 163 Cb 0.53 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.63 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 -2.11 0.00 -1.40 -0.06 -1.26 0.14 117.38 112.69 2kem n GLN 164 Ca 0.00 0.28 0.00 0.00 -2.00 0.00 0.00 57.00 55.28 2kem n GLN 164 Cb 0.00 -4.66 0.00 0.00 -4.06 0.00 0.00 30.24 21.52 2kem n GLN 164 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2kem n GLY 165 N -0.44 1.87 3.87 1.69 0.00 -1.26 -4.77 105.19 106.14 2kem n GLY 165 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.07 3.80 0.00 4.61 0.00 0.36 -5.08 121.76 123.38 2kem s ALA 166 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2kem s ALA 166 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.50 2kem s ALA 166 CO 0.00 0.66 0.00 -0.35 0.00 0.00 0.00 175.76 176.07 2kem n PRO 167 N -0.05 0.00 -4.12 0.00 -0.04 -1.26 -4.40 135.00 125.13 2kem n PRO 167 Ca -0.07 0.27 -0.14 0.00 -0.04 0.00 0.00 63.50 63.53 2kem n PRO 167 Cb 0.53 -0.76 -0.11 0.00 -0.04 0.00 0.00 33.50 33.12 2kem n PRO 167 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2kem s PHE 168 N -0.94 0.88 -0.20 0.54 0.40 -1.26 -4.92 117.98 112.48 2kem s PHE 168 Ca 0.00 -0.61 -0.20 0.00 -0.60 0.00 0.00 56.93 55.52 2kem s PHE 168 Cb 0.00 -0.50 -0.03 0.00 0.51 0.00 0.00 43.02 43.00 2kem s PHE 168 CO 0.00 -0.06 0.58 -1.14 0.70 0.00 0.00 175.22 175.30 2kem s GLN 169 N -2.33 4.19 0.00 0.44 2.00 -1.26 -5.00 119.66 117.70 2kem s GLN 169 Ca -0.01 0.52 0.00 0.00 -2.00 0.00 0.00 55.36 53.87 2kem s GLN 169 Cb -0.05 -3.58 0.00 0.00 0.80 0.00 0.00 33.01 30.18 2kem s GLN 169 CO -0.00 -0.21 0.00 -0.35 -0.50 0.00 0.00 175.29 174.22 2kem n PRO 170 N 4.98 0.00 0.00 1.67 -0.04 -1.26 -4.20 135.00 136.14 2kem n PRO 170 Ca -0.03 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2kem n PRO 170 Cb 0.50 -0.69 0.00 0.00 -0.04 0.00 0.00 33.50 33.26 2kem n PRO 170 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 2kem n TRP 171 N -2.20 0.00 0.00 0.54 -0.00 -1.26 -4.73 117.44 109.79 2kem n TRP 171 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2kem n TRP 171 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 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 4.06 0.00 -0.02 5.87 2.03 -1.26 -4.62 116.55 122.61 2kem n ASP 172 Ca 0.00 0.00 0.24 0.00 0.52 0.00 0.00 54.79 55.55 2kem n ASP 172 Cb 0.00 0.00 0.72 0.00 -0.72 0.00 0.00 41.12 41.12 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 -2.00 0.89 103.07 104.23 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 -0.40 3.11 -0.00 -1.89 -0.68 115.31 115.45 2kem h LEU 174 Ca 0.30 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 58.01 2kem h LEU 174 Cb 1.43 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.09 2kem h LEU 174 CO -0.00 0.00 -0.48 -0.78 -0.00 0.00 0.00 178.44 177.18 2kem h ASP 175 N 0.00 0.90 -0.22 0.17 1.82 0.46 0.17 116.42 119.71 2kem h ASP 175 Ca 0.00 -0.45 -0.00 0.00 -0.39 0.00 0.00 57.03 56.19 2kem h ASP 175 Cb 0.25 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 39.99 2kem h ASP 175 CO 0.00 1.22 0.13 -0.08 -1.61 0.00 0.00 179.24 178.91 2kem h GLU 176 N 0.65 0.31 0.00 0.28 4.81 -1.20 -0.34 114.58 119.09 2kem h GLU 176 Ca 0.03 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2kem h GLU 176 Cb 1.06 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 2kem h GLU 176 CO 0.11 0.26 -0.05 0.45 -0.73 0.00 0.00 179.01 179.04 2kem h HIS 177 N 0.27 0.00 0.14 0.92 3.86 -1.35 -2.36 115.15 116.63 2kem h HIS 177 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2kem h HIS 177 Cb 0.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 2kem h HIS 177 CO -0.04 0.05 -0.14 1.03 0.86 0.00 0.00 177.93 179.69 2kem h SER 178 N 0.00 -0.37 0.47 2.45 0.87 0.11 2.79 113.55 119.86 2kem h SER 178 Ca -0.00 0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.45 2kem h SER 178 Cb 0.49 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 2kem h SER 178 CO 0.01 -0.21 -0.65 0.06 -0.53 0.00 0.00 176.83 175.50 2kem h GLN 179 N -0.31 0.17 0.00 2.24 3.07 -1.32 -2.18 115.11 116.78 2kem h GLN 179 Ca 0.00 -0.13 -0.00 0.00 0.09 0.00 0.00 58.65 58.62 2kem h GLN 179 Cb 0.29 0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.88 2kem h GLN 179 CO -0.04 0.76 -0.00 -0.44 0.09 0.00 0.00 178.83 179.20 2kem h ASP 180 N 0.12 -0.00 -0.69 0.06 5.19 -0.97 -2.43 116.42 117.69 2kem h ASP 180 Ca -0.01 0.00 0.13 0.00 -0.62 0.00 0.00 57.03 56.53 2kem h ASP 180 Cb 1.17 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.55 2kem h ASP 180 CO 0.10 0.02 -0.27 0.25 -3.12 0.00 0.00 179.24 176.21 2kem h LEU 181 N -0.04 -0.97 -0.57 1.55 6.46 0.48 0.19 115.31 122.40 2kem h LEU 181 Ca -0.00 0.23 0.01 0.00 -0.12 0.00 0.00 57.88 58.00 2kem h LEU 181 Cb 0.00 0.54 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 2kem h LEU 181 CO 0.00 -0.28 0.37 -1.28 -0.62 0.00 0.00 178.44 176.63 2kem h SER 182 N -0.08 0.63 -1.12 1.25 0.87 -1.34 -1.06 113.55 112.71 2kem h SER 182 Ca 0.30 -0.01 0.31 0.00 -1.23 0.00 0.00 61.79 61.16 2kem h SER 182 Cb 0.55 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.30 2kem h SER 182 CO -0.74 0.45 0.77 1.23 -0.53 0.00 0.00 176.83 178.02 2kem h GLY 183 N 0.75 0.44 0.61 5.77 0.00 -0.13 0.41 103.07 110.93 2kem h GLY 183 Ca 0.21 -0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.37 2kem h GLY 183 CO -0.06 -0.06 -0.40 3.21 0.00 0.00 0.00 176.54 179.23 2kem h ARG 184 N 0.13 0.28 -0.97 4.80 -0.00 -0.57 -1.20 114.38 116.86 2kem h ARG 184 Ca 0.57 -0.30 0.26 0.00 -0.50 0.00 0.00 59.98 60.01 2kem h ARG 184 Cb 1.97 0.08 -0.13 0.00 0.00 0.00 0.00 29.97 31.89 2kem h ARG 184 CO -0.11 1.00 0.52 -0.07 0.00 0.00 0.00 179.97 181.30 2kem h LEU 185 N -0.31 0.51 0.00 3.04 -0.00 0.35 1.69 115.31 120.59 2kem h LEU 185 Ca -0.05 0.16 -0.05 0.00 -0.00 0.00 0.00 57.88 57.94 2kem h LEU 185 Cb 1.14 0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.89 2kem h LEU 185 CO 0.08 -0.00 -0.55 0.03 -0.00 0.00 0.00 178.44 177.99 2kem h ARG 186 N 0.45 0.00 0.00 1.13 -0.00 -1.30 -2.35 114.38 112.30 2kem h ARG 186 Ca 0.64 0.00 -0.17 0.00 -0.50 0.00 0.00 59.98 59.96 2kem h ARG 186 Cb 1.30 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.25 2kem h ARG 186 CO -0.54 0.18 -1.33 0.00 0.00 0.00 0.00 179.97 178.28 2kem h ALA 187 N 1.78 0.66 0.08 0.04 0.00 0.19 -3.36 119.26 118.65 2kem h ALA 187 Ca -0.02 -0.83 -0.37 0.00 0.00 0.00 0.00 54.91 53.69 2kem h ALA 187 Cb 1.19 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2kem h ALA 187 CO 0.02 0.92 -2.11 0.44 0.00 0.00 0.00 179.25 178.52 2kem n ILE 188 N -2.93 1.69 -0.20 0.00 -5.35 0.50 0.10 119.36 113.17 2kem n ILE 188 Ca -0.09 -0.65 0.01 0.00 -0.27 0.00 0.00 62.75 61.75 2kem n ILE 188 Cb 0.84 -1.57 0.10 0.00 -1.74 0.00 0.00 39.64 37.27 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 0.05 -0.21 -3.18 7.28 -0.00 -1.57 -2.57 115.31 115.11 2kem h LEU 189 Ca -0.46 0.14 -0.12 0.00 -0.00 0.00 0.00 57.88 57.44 2kem h LEU 189 Cb 2.01 0.24 -0.11 0.00 -0.00 0.00 0.00 40.66 42.80 2kem h LEU 189 CO 0.04 -0.09 -0.60 0.00 -0.00 0.00 0.00 178.44 177.80 2kem n GLN 190 N -5.24 1.92 -2.16 1.13 6.02 -1.26 -4.79 117.38 112.99 2kem n GLN 190 Ca 0.09 -3.42 -0.11 0.00 -0.01 0.00 0.00 57.00 53.55 2kem n GLN 190 Cb 0.35 -1.67 -0.02 0.00 1.02 0.00 0.00 30.24 29.92 2kem n GLN 190 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2kem n ASN 191 N -0.95 -3.51 -4.76 1.08 5.15 -0.97 -4.88 115.26 106.42 2kem n ASN 191 Ca 0.23 0.23 -0.41 0.00 -0.60 0.00 0.00 54.58 54.04 2kem n ASN 191 Cb 0.77 -3.07 -0.03 0.00 -0.53 0.00 0.00 39.78 36.92 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 -4.51 4.46 0.11 1.20 -0.21 0.29 -4.91 119.66 116.08 2kem s GLN 192 Ca 0.00 2.03 -0.11 0.00 0.02 0.00 0.00 55.36 57.30 2kem s GLN 192 Cb 0.00 -3.15 -0.15 0.00 1.00 0.00 0.00 33.01 30.72 2kem s GLN 192 CO 0.00 -0.07 1.28 1.49 -2.12 0.00 0.00 175.29 175.87 2kem h GLU 193 N 4.10 0.68 -0.01 2.91 4.81 -1.90 -3.38 114.58 121.78 2kem h GLU 193 Ca -0.47 -0.63 0.00 0.00 -0.13 0.00 0.00 59.36 58.13 2kem h GLU 193 Cb 1.22 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.75 2kem h GLU 193 CO 0.69 1.23 0.00 0.09 -0.73 0.00 0.00 179.01 180.29