#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 0.01 -3.67 5.41 -1.26 -4.97 119.36 114.88 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 -0.97 -0.13 0.00 -0.71 0.00 0.00 39.64 37.84 2kem n ILE 2 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2kem h LEU 3 N 0.00 0.00 -0.07 1.39 3.38 -1.91 -3.18 115.31 114.93 2kem h LEU 3 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kem h LEU 3 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2kem h LEU 3 CO 0.00 0.96 0.00 -1.14 0.09 0.00 0.00 178.44 178.35 2kem n ARG 4 N -3.13 0.16 0.26 1.13 0.63 -1.26 -3.54 116.66 110.91 2kem n ARG 4 Ca -0.11 0.17 -0.11 0.00 -0.92 0.00 0.00 57.85 56.88 2kem n ARG 4 Cb 1.00 -1.70 -0.05 0.00 0.45 0.00 0.00 32.46 32.16 2kem n ARG 4 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2kem h HIS 5 N 0.00 -0.67 0.00 -0.14 2.76 -1.85 -3.42 115.15 111.83 2kem h HIS 5 Ca 0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2kem h HIS 5 Cb 0.60 0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.78 2kem h HIS 5 CO 0.00 -0.42 0.00 -1.13 -1.30 0.00 0.00 177.93 175.08 2kem n SER 6 N -4.99 0.00 -3.03 3.26 3.41 -1.23 -4.68 113.62 106.36 2kem n SER 6 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2kem n SER 6 Cb 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.00 2.97 -4.25 4.33 1.56 -1.19 -4.91 117.12 115.63 2kem n MET 7 Ca 0.00 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 57.09 2kem n MET 7 Cb 0.00 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.27 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 5.24 0.27 6.12 2.15 -1.26 -5.02 116.67 123.14 2kem s ASP 8 Ca 0.00 0.03 -0.10 0.00 0.43 0.00 0.00 52.55 52.91 2kem s ASP 8 Cb 0.00 -1.77 0.41 0.00 -0.30 0.00 0.00 42.92 41.26 2kem s ASP 8 CO 0.00 0.23 1.56 -2.65 -0.17 0.00 0.00 175.17 174.14 2kem n PRO 9 N 3.12 -0.12 -0.32 4.34 -0.01 -1.26 0.48 135.00 141.23 2kem n PRO 9 Ca -0.17 1.55 -0.03 0.00 -0.01 0.00 0.00 63.50 64.83 2kem n PRO 9 Cb 0.53 -2.32 0.08 0.00 -0.01 0.00 0.00 33.50 31.78 2kem n PRO 9 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 175.50 175.14 2kem n PRO 10 N -5.59 1.65 -0.04 0.52 -0.04 -1.26 -4.17 135.00 126.07 2kem n PRO 10 Ca 0.15 -0.87 -0.03 0.00 -0.04 0.00 0.00 63.50 62.70 2kem n PRO 10 Cb 0.48 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.09 0.70 -0.09 0.52 -1.04 0.18 -4.26 114.28 110.38 2kem n THR 11 Ca 0.14 0.34 -0.12 0.00 -2.04 0.00 0.00 64.05 62.37 2kem n THR 11 Cb 0.72 -1.92 -0.06 0.00 -1.82 0.00 0.00 70.33 67.25 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 -3.41 0.96 0.29 -1.42 3.01 -1.26 -2.11 117.46 113.52 2kem n PHE 12 Ca -0.05 0.42 0.18 0.00 1.01 0.00 0.00 57.45 59.01 2kem n PHE 12 Cb 0.19 -0.92 0.93 0.00 -0.01 0.00 0.00 39.48 39.67 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 1.52 112.91 116.95 2kem h THR 13 Ca -0.16 -0.12 -0.21 0.00 -0.01 0.00 0.00 66.41 65.91 2kem h THR 13 Cb 0.86 0.98 -0.03 0.00 -1.07 0.00 0.00 68.15 68.90 2kem h THR 13 CO -0.10 0.00 -1.29 0.33 -0.01 0.00 0.00 175.52 174.45 2kem n PHE 14 N -2.84 0.82 -0.07 0.00 7.35 -1.26 -4.00 117.46 117.46 2kem n PHE 14 Ca -0.02 0.36 -0.16 0.00 -0.76 0.00 0.00 57.45 56.87 2kem n PHE 14 Cb 0.12 -1.00 -0.14 0.00 0.35 0.00 0.00 39.48 38.81 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 -4.44 1.39 -0.51 -2.13 4.13 -0.90 -4.31 115.26 108.49 2kem n ASN 15 Ca -0.30 0.07 0.12 0.00 1.68 0.00 0.00 54.58 56.15 2kem n ASN 15 Cb 0.62 -0.16 0.44 0.00 -1.54 0.00 0.00 39.78 39.15 2kem n ASN 15 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2kem n PHE 16 N -3.17 0.13 -3.28 3.10 3.01 0.50 -4.41 117.46 113.34 2kem n PHE 16 Ca -0.35 -0.07 -0.45 0.00 1.01 0.00 0.00 57.45 57.60 2kem n PHE 16 Cb 1.05 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.46 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 -1.73 6.18 -1.02 4.37 2.47 0.00 -4.51 114.94 120.70 2kem s ASN 17 Ca 0.34 -1.45 -0.03 0.00 0.42 0.00 0.00 52.86 52.15 2kem s ASN 17 Cb 0.19 -2.23 -0.03 0.00 -1.45 0.00 0.00 41.25 37.73 2kem s ASN 17 CO 0.29 -0.83 0.87 -3.20 -3.72 0.00 0.00 177.10 170.51 2kem n ASN 18 N 5.53 -4.00 -3.65 -4.21 4.05 -1.26 -4.89 115.26 106.83 2kem n ASN 18 Ca -0.12 -0.60 -0.23 0.00 0.45 0.00 0.00 54.58 54.08 2kem n ASN 18 Cb 0.42 -4.73 -0.17 0.00 1.23 0.00 0.00 39.78 36.53 2kem n ASN 18 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2kem s GLU 19 N -4.78 0.05 0.17 1.20 2.02 -1.26 -5.05 118.70 111.06 2kem s GLU 19 Ca 0.20 0.11 -0.25 0.00 0.02 0.00 0.00 54.97 55.05 2kem s GLU 19 Cb -0.03 -1.23 0.05 0.00 0.10 0.00 0.00 34.13 33.02 2kem s GLU 19 CO 0.67 -0.50 1.56 -1.35 0.02 0.00 0.00 175.26 175.65 2kem h PRO 20 N 8.42 -0.17 -3.87 0.39 0.11 -1.95 -3.45 132.00 131.48 2kem h PRO 20 Ca -0.14 0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.83 2kem h PRO 20 Cb 1.13 0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.19 2kem h PRO 20 CO 0.23 -0.11 -0.17 1.67 -0.21 0.00 0.00 178.00 179.41 2kem s TRP 21 N -5.80 0.68 0.56 0.65 -2.14 -1.26 -4.16 118.94 107.47 2kem s TRP 21 Ca -0.14 -1.00 -0.19 0.00 2.66 0.00 0.00 56.10 57.44 2kem s TRP 21 Cb 0.14 0.06 -0.08 0.00 -3.10 0.00 0.00 33.47 30.48 2kem s TRP 21 CO 0.66 -1.04 0.67 1.33 -2.66 0.00 0.00 176.95 175.91 2kem n VAL 22 N -0.44 2.60 0.00 -0.66 0.24 -1.26 -4.92 118.33 113.89 2kem n VAL 22 Ca -0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 2kem n VAL 22 Cb 0.62 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 32.17 2kem n VAL 22 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2kem n ARG 23 N -0.23 0.00 -3.52 7.34 1.85 -1.26 -4.57 116.66 116.27 2kem n ARG 23 Ca 0.12 0.54 -0.28 0.00 -1.00 0.00 0.00 57.85 57.24 2kem n ARG 23 Cb 0.46 -1.22 -0.14 0.00 -1.05 0.00 0.00 32.46 30.51 2kem n ARG 23 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2kem s GLY 24 N -0.44 0.44 -0.46 2.89 0.00 -1.26 -4.98 107.32 103.50 2kem s GLY 24 Ca 0.00 -1.05 -0.35 0.00 0.00 0.00 0.00 44.72 43.32 2kem s GLY 24 CO 0.00 2.14 0.66 -0.96 0.00 0.00 0.00 173.10 174.94 2kem n ARG 25 N 5.17 -1.98 -1.54 2.90 1.85 -1.26 -4.95 116.66 116.85 2kem n ARG 25 Ca -0.04 1.50 -0.29 0.00 -1.00 0.00 0.00 57.85 58.02 2kem n ARG 25 Cb 0.42 -2.55 0.16 0.00 -1.05 0.00 0.00 32.46 29.44 2kem n ARG 25 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2kem s HIS 26 N -1.67 2.08 -0.06 2.89 3.76 -1.26 -4.90 115.29 116.12 2kem s HIS 26 Ca 0.36 0.71 -0.05 0.00 -0.15 0.00 0.00 55.06 55.93 2kem s HIS 26 Cb -0.04 -3.52 -0.17 0.00 1.11 0.00 0.00 32.58 29.96 2kem s HIS 26 CO 0.86 -2.63 3.23 -0.85 -0.85 0.00 0.00 174.74 174.50 2kem n GLU 27 N -3.91 1.88 0.00 1.40 0.28 -1.26 -4.71 120.64 114.33 2kem n GLU 27 Ca 0.09 -1.01 0.00 0.00 -0.16 0.00 0.00 57.16 56.08 2kem n GLU 27 Cb 0.59 -1.85 0.00 0.00 1.43 0.00 0.00 31.44 31.62 2kem n GLU 27 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2kem n THR 28 N 2.09 0.00 -4.38 3.84 -1.04 -1.25 -3.55 114.28 110.00 2kem n THR 28 Ca 0.36 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 62.16 2kem n THR 28 Cb 0.80 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 69.15 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 0.00 1.00 0.00 -1.42 1.13 -1.26 -0.27 117.35 116.53 2kem s TYR 29 Ca 0.00 -0.29 0.00 0.00 -1.41 0.00 0.00 57.07 55.38 2kem s TYR 29 Cb 0.00 -0.75 -0.00 0.00 -1.10 0.00 0.00 41.96 40.11 2kem s TYR 29 CO 0.00 -0.16 -0.01 -0.48 -2.51 0.00 0.00 175.55 172.40 2kem s LEU 30 N 0.46 2.03 0.04 -3.49 0.05 -0.58 -4.12 118.68 113.07 2kem s LEU 30 Ca -0.08 -0.07 -0.19 0.00 0.05 0.00 0.00 54.13 53.85 2kem s LEU 30 Cb -0.11 -0.01 -0.06 0.00 -2.05 0.00 0.00 46.19 43.96 2kem s LEU 30 CO 0.01 -0.03 0.54 0.00 -0.55 0.00 0.00 176.35 176.32 2kem s TYR 32 N -0.89 3.25 -0.18 0.00 1.13 -1.12 -0.83 117.35 118.72 2kem s TYR 32 Ca 0.28 0.23 -0.02 0.00 -1.41 0.00 0.00 57.07 56.15 2kem s TYR 32 Cb -0.19 -1.77 0.05 0.00 -1.10 0.00 0.00 41.96 38.95 2kem s TYR 32 CO 0.17 0.53 -0.00 -2.00 -2.51 0.00 0.00 175.55 171.75 2kem s GLU 33 N -1.32 0.96 0.04 -3.49 2.12 -0.70 -1.64 118.70 114.67 2kem s GLU 33 Ca 0.18 -0.46 0.07 0.00 0.36 0.00 0.00 54.97 55.12 2kem s GLU 33 Cb -0.12 -2.01 -0.02 0.00 0.26 0.00 0.00 34.13 32.24 2kem s GLU 33 CO 0.08 -0.55 -0.19 0.14 -0.54 0.00 0.00 175.26 174.21 2kem s VAL 34 N 1.76 1.51 0.49 3.70 -7.23 -1.22 0.25 120.40 119.65 2kem s VAL 34 Ca -0.00 -1.12 0.08 0.00 -1.81 0.00 0.00 61.98 59.13 2kem s VAL 34 Cb -0.16 -1.32 0.03 0.00 0.56 0.00 0.00 36.38 35.49 2kem s VAL 34 CO -0.07 0.17 0.51 -1.61 -0.31 0.00 0.00 175.10 173.78 2kem s GLU 35 N -1.11 2.43 -0.27 4.82 2.02 -0.89 -4.38 118.70 121.32 2kem s GLU 35 Ca 0.06 -1.67 -0.05 0.00 0.02 0.00 0.00 54.97 53.33 2kem s GLU 35 Cb -0.08 -2.41 0.01 0.00 0.10 0.00 0.00 34.13 31.75 2kem s GLU 35 CO 0.01 -0.49 0.02 1.03 0.02 0.00 0.00 175.26 175.86 2kem s ARG 36 N -4.33 3.11 -0.36 1.61 1.81 -0.64 -1.83 118.95 118.33 2kem s ARG 36 Ca 0.48 -0.82 -0.16 0.00 -1.72 0.00 0.00 55.73 53.51 2kem s ARG 36 Cb -0.04 -3.21 -0.00 0.00 -0.45 0.00 0.00 34.95 31.24 2kem s ARG 36 CO 0.29 -0.37 0.42 -1.64 -0.68 0.00 0.00 175.30 173.31 2kem s MET 37 N 1.46 3.46 -0.77 3.54 -1.94 0.26 0.34 119.30 125.65 2kem s MET 37 Ca 0.03 -0.44 0.03 0.00 -1.71 0.00 0.00 55.69 53.60 2kem s MET 37 Cb -0.16 -3.84 0.29 0.00 2.01 0.00 0.00 34.83 33.12 2kem s MET 37 CO -0.00 -0.63 1.06 0.72 -0.01 0.00 0.00 175.02 176.16 2kem n HIS 38 N 5.52 3.32 -3.92 -0.03 8.25 -0.97 -3.75 115.22 123.65 2kem n HIS 38 Ca -0.08 -3.61 -0.25 0.00 -0.26 0.00 0.00 57.72 53.53 2kem n HIS 38 Cb 0.49 -0.77 -0.01 0.00 1.12 0.00 0.00 29.99 30.82 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 0.66 -0.50 0.00 0.41 2.85 -1.26 -2.98 115.26 114.44 2kem n ASN 39 Ca 0.31 -0.99 0.00 0.00 -0.11 0.00 0.00 54.58 53.79 2kem n ASN 39 Cb 0.37 -3.18 0.00 0.00 1.24 0.00 0.00 39.78 38.22 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 -2.99 0.00 -4.91 1.20 2.03 -1.26 -5.12 116.55 105.50 2kem n ASP 40 Ca -0.31 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.73 2kem n ASP 40 Cb 0.68 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.10 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 -0.91 4.45 -0.42 5.18 2.01 -1.16 -5.07 115.64 119.72 2kem s THR 41 Ca 0.00 0.20 0.06 0.00 0.31 0.00 0.00 61.69 62.26 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 -0.75 0.56 -1.66 -0.69 0.00 0.00 174.62 172.09 2kem s TRP 42 N -2.87 -1.10 -0.89 4.92 -2.14 -0.90 -2.29 118.94 113.67 2kem s TRP 42 Ca 0.50 -0.43 -0.25 0.00 2.66 0.00 0.00 56.10 58.59 2kem s TRP 42 Cb -0.10 0.03 0.01 0.00 -3.10 0.00 0.00 33.47 30.31 2kem s TRP 42 CO 0.46 -1.12 1.59 0.08 -2.66 0.00 0.00 176.95 175.30 2kem s VAL 43 N 1.37 3.70 -1.31 -0.66 1.01 0.15 -4.65 120.40 120.01 2kem s VAL 43 Ca 0.21 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 2kem s VAL 43 Cb -0.06 -4.64 0.10 0.00 0.00 0.00 0.00 36.38 31.78 2kem s VAL 43 CO -0.06 -1.56 1.79 2.29 0.00 0.00 0.00 175.10 177.56 2kem n LYS 44 N 9.01 3.21 -0.07 2.72 2.85 -1.26 -1.62 118.16 133.00 2kem n LYS 44 Ca 0.28 -3.30 -0.12 0.00 -1.05 0.00 0.00 58.31 54.12 2kem n LYS 44 Cb 0.50 -3.29 -0.10 0.00 -0.65 0.00 0.00 35.03 31.49 2kem n LYS 44 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2kem h LEU 45 N 10.85 0.00 -2.50 -5.58 5.85 -1.91 -3.50 115.31 118.53 2kem h LEU 45 Ca 0.44 -0.76 -0.07 0.00 0.84 0.00 0.00 57.88 58.33 2kem h LEU 45 Cb 0.80 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.84 2kem h LEU 45 CO 1.52 0.95 -0.18 0.59 -0.34 0.00 0.00 178.44 180.98 2kem n ASN 46 N -4.63 -7.43 -0.04 1.25 3.02 -1.26 -4.97 115.26 101.20 2kem n ASN 46 Ca -0.10 -0.21 -0.03 0.00 -0.03 0.00 0.00 54.58 54.21 2kem n ASN 46 Cb 0.41 -4.99 -0.08 0.00 -0.61 0.00 0.00 39.78 34.51 2kem n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kem n GLN 47 N -2.00 2.03 0.00 3.52 10.64 -1.26 -4.87 117.38 125.43 2kem n GLN 47 Ca -0.03 -0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.12 2kem n GLN 47 Cb 0.53 -1.25 0.00 0.00 -0.86 0.00 0.00 30.24 28.65 2kem n GLN 47 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2kem n ARG 48 N -2.28 0.00 -2.24 2.61 5.12 -1.26 -5.02 116.66 113.60 2kem n ARG 48 Ca -0.14 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.77 2kem n ARG 48 Cb 0.73 -0.24 0.01 0.00 -1.16 0.00 0.00 32.46 31.80 2kem n ARG 48 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2kem n ARG 49 N -0.30 -0.41 -3.63 5.56 3.00 -0.65 -4.63 116.66 115.59 2kem n ARG 49 Ca 0.00 0.05 -0.14 0.00 -0.00 0.00 0.00 57.85 57.76 2kem n ARG 49 Cb 0.00 -2.70 -0.07 0.00 0.00 0.00 0.00 32.46 29.69 2kem n ARG 49 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2kem s GLY 50 N -3.06 -0.53 0.00 5.14 0.00 -0.66 -4.34 107.32 103.87 2kem s GLY 50 Ca 0.01 1.98 0.00 0.00 0.00 0.00 0.00 44.72 46.71 2kem s GLY 50 CO 0.04 1.70 0.00 0.33 0.00 0.00 0.00 173.10 175.17 2kem n PHE 51 N 2.66 0.00 -1.92 1.90 7.35 -0.55 -2.77 117.46 124.12 2kem n PHE 51 Ca -0.14 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.30 2kem n PHE 51 Cb 0.55 0.00 0.17 0.00 0.35 0.00 0.00 39.48 40.55 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 -3.15 -2.13 7.99 -1.20 -4.73 117.00 113.78 2kem n LEU 52 Ca 0.00 -1.38 0.02 0.00 -0.01 0.00 0.00 56.01 54.64 2kem n LEU 52 Cb 0.00 -0.85 -0.01 0.00 -0.11 0.00 0.00 43.42 42.45 2kem n LEU 52 CO 0.00 -1.28 0.15 0.00 -1.51 0.00 0.00 177.39 174.74 2kem s ALA 53 N -3.85 -2.66 0.11 -1.18 0.00 -1.26 -1.53 121.76 111.39 2kem s ALA 53 Ca 0.66 0.49 0.08 0.00 0.00 0.00 0.00 51.96 53.18 2kem s ALA 53 Cb -0.02 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 2kem s ALA 53 CO 0.46 -2.20 -0.20 1.21 0.00 0.00 0.00 175.76 175.03 2kem s ASN 54 N 2.03 2.45 0.19 0.00 3.84 0.63 -4.76 114.94 119.32 2kem s ASN 54 Ca 0.15 -0.70 0.10 0.00 0.21 0.00 0.00 52.86 52.62 2kem s ASN 54 Cb -0.04 -0.13 -0.04 0.00 -0.55 0.00 0.00 41.25 40.49 2kem s ASN 54 CO -0.11 0.03 -0.17 0.00 -2.79 0.00 0.00 177.10 174.05 2kem s GLN 55 N -2.02 1.76 -0.41 0.43 1.03 -1.13 -0.55 119.66 118.77 2kem s GLN 55 Ca 0.07 -1.43 -0.11 0.00 0.04 0.00 0.00 55.36 53.92 2kem s GLN 55 Cb -0.09 -1.97 0.06 0.00 0.03 0.00 0.00 33.01 31.03 2kem s GLN 55 CO 0.04 0.41 0.27 0.00 -2.54 0.00 0.00 175.29 173.47 2kem s ALA 56 N -1.74 3.34 1.00 2.60 0.00 -1.20 -3.94 121.76 121.82 2kem s ALA 56 Ca 0.23 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 50.21 2kem s ALA 56 Cb -0.08 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.33 2kem s ALA 56 CO 0.12 -1.57 0.00 -0.35 0.00 0.00 0.00 175.76 173.96 2kem n PRO 57 N 5.00 -0.77 0.00 0.00 -0.04 -1.26 -4.86 135.00 133.07 2kem n PRO 57 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 2kem n PRO 57 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 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 -2.18 0.00 0.01 0.54 8.25 -1.26 -4.73 115.22 115.85 2kem n HIS 58 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kem n HIS 58 Cb 0.00 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.87 2kem n HIS 58 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2kem n LYS 59 N -1.21 0.00 -1.33 -0.41 4.81 -1.26 -4.96 118.16 113.80 2kem n LYS 59 Ca 0.00 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.61 2kem n LYS 59 Cb 0.00 -0.44 -0.06 0.00 0.02 0.00 0.00 35.03 34.55 2kem n LYS 59 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2kem n HIS 60 N -3.03 -3.47 -0.09 5.64 -0.00 -1.26 -4.13 115.22 108.88 2kem n HIS 60 Ca 0.00 1.83 -0.22 0.00 0.46 0.00 0.00 57.72 59.79 2kem n HIS 60 Cb 0.37 -3.16 -0.12 0.00 -0.12 0.00 0.00 29.99 26.96 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 -4.17 -0.79 0.45 1.57 0.00 -1.26 -4.21 105.19 96.78 2kem n GLY 61 Ca -0.04 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.12 2kem n GLY 61 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2kem n PHE 62 N -4.28 0.21 -2.74 1.61 -0.00 -1.26 -4.98 117.46 106.02 2kem n PHE 62 Ca -0.33 -0.10 -0.00 0.00 -0.00 0.00 0.00 57.45 57.01 2kem n PHE 62 Cb 0.75 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 40.22 2kem n PHE 62 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 2kem n LEU 63 N 0.14 -7.72 -0.64 -2.13 4.77 -1.26 -4.95 117.00 105.20 2kem n LEU 63 Ca 0.14 1.44 0.06 0.00 -0.03 0.00 0.00 56.01 57.63 2kem n LEU 63 Cb 0.27 -3.27 0.20 0.00 -2.33 0.00 0.00 43.42 38.29 2kem n LEU 63 CO 0.11 -3.20 0.62 -0.62 -1.33 0.00 0.00 177.39 172.97 2kem n GLU 64 N 0.80 1.99 -0.45 3.23 1.02 -1.26 -4.89 120.64 121.09 2kem n GLU 64 Ca -0.02 -2.88 -0.13 0.00 -0.02 0.00 0.00 57.16 54.11 2kem n GLU 64 Cb 0.06 -1.70 -0.02 0.00 -0.02 0.00 0.00 31.44 29.77 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 -1.02 2.47 3.06 0.62 0.00 -1.26 -4.16 105.19 104.90 2kem n GLY 65 Ca 0.22 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 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 3.79 0.79 0.41 1.61 1.70 -1.25 -4.76 118.95 121.23 2kem s ARG 66 Ca 0.25 -0.49 0.08 0.00 -0.47 0.00 0.00 55.73 55.09 2kem s ARG 66 Cb 0.07 -0.75 -0.02 0.00 -0.57 0.00 0.00 34.95 33.68 2kem s ARG 66 CO -0.02 0.20 0.35 -1.01 -1.08 0.00 0.00 175.30 173.73 2kem s HIS 67 N -0.51 2.71 0.45 5.89 3.76 -1.25 -2.81 115.29 123.52 2kem s HIS 67 Ca 0.02 -0.49 0.31 0.00 -0.15 0.00 0.00 55.06 54.76 2kem s HIS 67 Cb -0.05 -2.12 1.46 0.00 1.11 0.00 0.00 32.58 32.97 2kem s HIS 67 CO 0.00 -0.06 1.61 0.00 -0.85 0.00 0.00 174.74 175.44 2kem h ALA 68 N 1.09 2.81 0.47 -1.40 0.00 -0.93 0.98 119.26 122.28 2kem h ALA 68 Ca -0.42 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2kem h ALA 68 Cb 1.26 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2kem h ALA 68 CO 0.59 -1.45 -0.24 0.93 0.00 0.00 0.00 179.25 179.08 2kem h GLU 69 N 0.06 -0.62 -0.31 0.00 3.07 -1.89 0.51 114.58 115.40 2kem h GLU 69 Ca 0.84 0.04 0.04 0.00 -0.50 0.00 0.00 59.36 59.78 2kem h GLU 69 Cb 2.68 0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 30.72 2kem h GLU 69 CO -0.41 -0.41 0.21 1.25 -1.40 0.00 0.00 179.01 178.25 2kem h LEU 70 N -0.65 0.22 -1.28 1.33 5.85 0.48 0.81 115.31 122.07 2kem h LEU 70 Ca -0.06 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 2kem h LEU 70 Cb 0.50 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2kem h LEU 70 CO 0.09 0.15 0.06 0.00 -0.34 0.00 0.00 178.44 178.41 2kem h PHE 72 N 0.54 1.04 -0.52 0.00 3.57 0.55 -1.43 116.94 120.70 2kem h PHE 72 Ca 0.12 -0.21 0.15 0.00 3.53 0.00 0.00 57.97 61.56 2kem h PHE 72 Cb 0.25 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 2kem h PHE 72 CO 0.01 0.99 0.46 -0.07 -2.23 0.00 0.00 178.31 177.47 2kem h LEU 73 N 0.79 0.00 0.04 0.59 4.07 0.81 0.61 115.31 122.22 2kem h LEU 73 Ca 0.13 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.83 2kem h LEU 73 Cb 0.64 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.35 2kem h LEU 73 CO 0.04 0.00 -1.31 -0.78 -1.08 0.00 0.00 178.44 175.31 2kem h ASP 74 N 0.00 0.13 -0.97 -0.43 3.58 -0.71 -3.32 116.42 114.69 2kem h ASP 74 Ca 0.24 -0.17 0.06 0.00 0.42 0.00 0.00 57.03 57.59 2kem h ASP 74 Cb 1.15 -0.04 -0.07 0.00 1.72 0.00 0.00 39.33 42.10 2kem h ASP 74 CO -0.00 1.14 0.62 -0.37 -2.88 0.00 0.00 179.24 177.74 2kem h VAL 75 N 0.02 1.08 0.32 2.25 -1.51 0.10 -2.77 116.25 115.74 2kem h VAL 75 Ca -0.14 -0.39 -0.01 0.00 -1.23 0.00 0.00 66.70 64.93 2kem h VAL 75 Cb 1.90 -0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 30.90 2kem h VAL 75 CO 0.13 0.21 -0.29 0.40 -1.23 0.00 0.00 177.57 176.79 2kem h ILE 76 N 1.13 0.00 -1.12 7.19 1.08 -1.58 2.41 117.51 126.62 2kem h ILE 76 Ca 0.42 0.00 0.32 0.00 -0.39 0.00 0.00 64.86 65.21 2kem h ILE 76 Cb 0.16 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 33.87 2kem h ILE 76 CO -0.17 0.00 0.84 -0.65 -0.69 0.00 0.00 178.15 177.47 2kem h PRO 77 N -0.59 0.00 0.03 2.37 0.11 -1.66 0.18 132.00 132.42 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 -0.02 0.00 -2.10 0.34 -0.21 0.00 0.00 178.00 176.01 2kem n PHE 78 N -4.11 0.59 0.12 0.65 -0.00 -1.01 -4.09 117.46 109.61 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 -0.30 -5.13 4.06 0.71 -3.44 115.95 111.87 2kem h TRP 79 Ca -0.44 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.38 2kem h TRP 79 Cb 2.07 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 30.18 2kem h TRP 79 CO 0.02 0.00 -0.12 1.63 -3.56 0.00 0.00 178.44 176.42 2kem n LYS 80 N -4.00 -0.48 -1.68 0.49 4.76 -0.56 -4.82 118.16 111.88 2kem n LYS 80 Ca 0.05 0.69 -0.57 0.00 -2.87 0.00 0.00 58.31 55.61 2kem n LYS 80 Cb 0.46 -4.45 -0.07 0.00 -1.84 0.00 0.00 35.03 29.13 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 -0.71 2.01 0.00 -0.35 -0.00 -1.11 0.31 117.00 117.16 2kem n LEU 81 Ca -0.06 1.10 0.00 0.00 -0.00 0.00 0.00 56.01 57.05 2kem n LEU 81 Cb 0.22 -1.12 0.00 0.00 -0.00 0.00 0.00 43.42 42.51 2kem n LEU 81 CO 0.09 -0.68 0.00 -0.67 -0.00 0.00 0.00 177.39 176.14 2kem n ASP 82 N 4.39 0.00 -0.17 1.96 2.03 0.10 -4.48 116.55 120.38 2kem n ASP 82 Ca 0.24 0.00 0.28 0.00 0.52 0.00 0.00 54.79 55.84 2kem n ASP 82 Cb 0.13 0.00 0.72 0.00 -0.72 0.00 0.00 41.12 41.25 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 0.00 0.00 -2.67 -0.00 -1.90 -3.07 115.31 107.67 2kem h LEU 83 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.83 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 0.00 -1.20 0.47 -0.00 0.00 0.00 178.44 177.71 2kem n ASP 84 N -4.25 3.37 -3.64 0.17 9.92 0.15 -5.08 116.55 117.18 2kem n ASP 84 Ca 0.18 -0.01 -0.04 0.00 -0.53 0.00 0.00 54.79 54.38 2kem n ASP 84 Cb 0.95 -0.06 -0.07 0.00 -0.64 0.00 0.00 41.12 41.30 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 -2.07 0.44 -0.19 -1.24 -2.07 -1.12 -5.04 119.66 108.37 2kem s GLN 85 Ca -0.05 0.71 -0.21 0.00 -1.82 0.00 0.00 55.36 53.99 2kem s GLN 85 Cb 0.01 0.12 -0.03 0.00 -1.09 0.00 0.00 33.01 32.03 2kem s GLN 85 CO 0.08 -0.08 0.63 0.34 -1.32 0.00 0.00 175.29 174.93 2kem s ASP 86 N 1.11 6.70 0.11 12.60 2.15 -1.25 0.01 116.67 138.10 2kem s ASP 86 Ca -0.06 0.85 0.07 0.00 0.43 0.00 0.00 52.55 53.83 2kem s ASP 86 Cb -0.04 -2.35 -0.04 0.00 -0.30 0.00 0.00 42.92 40.19 2kem s ASP 86 CO -0.13 -0.26 -0.08 -0.31 -0.17 0.00 0.00 175.17 174.21 2kem s TYR 87 N 1.84 2.78 -0.83 -5.34 1.51 -1.26 0.90 117.35 116.96 2kem s TYR 87 Ca 0.29 -0.14 -0.16 0.00 -1.01 0.00 0.00 57.07 56.05 2kem s TYR 87 Cb -0.16 -1.44 0.18 0.00 -0.11 0.00 0.00 41.96 40.43 2kem s TYR 87 CO 0.11 0.44 0.87 0.50 -1.11 0.00 0.00 175.55 176.36 2kem s ARG 88 N -2.27 3.54 0.07 -0.62 3.52 -0.76 -2.52 118.95 119.91 2kem s ARG 88 Ca 0.22 -2.12 -0.29 0.00 -0.13 0.00 0.00 55.73 53.41 2kem s ARG 88 Cb -0.11 -4.57 -0.05 0.00 -1.56 0.00 0.00 34.95 28.66 2kem s ARG 88 CO 0.15 -1.47 0.94 0.08 -0.81 0.00 0.00 175.30 174.19 2kem s VAL 89 N 1.22 4.63 -0.35 7.11 1.01 0.37 -2.10 120.40 132.29 2kem s VAL 89 Ca 0.22 2.02 -0.00 0.00 0.00 0.00 0.00 61.98 64.21 2kem s VAL 89 Cb -0.10 -4.30 0.13 0.00 0.00 0.00 0.00 36.38 32.11 2kem s VAL 89 CO -0.07 0.28 0.20 0.42 0.00 0.00 0.00 175.10 175.93 2kem s THR 90 N 0.26 0.26 0.37 3.92 -4.23 0.14 -0.20 115.64 116.16 2kem s THR 90 Ca 0.47 -1.65 -0.11 0.00 -1.18 0.00 0.00 61.69 59.22 2kem s THR 90 Cb -0.22 -1.20 -0.07 0.00 1.34 0.00 0.00 72.50 72.35 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 -2.24 2.22 0.46 0.00 0.40 -0.01 -0.00 117.98 118.80 2kem s PHE 92 Ca 0.51 -1.65 0.06 0.00 -0.60 0.00 0.00 56.93 55.24 2kem s PHE 92 Cb -0.10 -1.52 -0.02 0.00 0.51 0.00 0.00 43.02 41.88 2kem s PHE 92 CO 0.28 -0.76 0.20 0.99 0.70 0.00 0.00 175.22 176.63 2kem s THR 93 N 1.45 1.92 0.20 0.64 2.01 0.94 -2.38 115.64 120.43 2kem s THR 93 Ca -0.05 -1.71 0.07 0.00 0.31 0.00 0.00 61.69 60.31 2kem s THR 93 Cb -0.19 -2.63 -0.11 0.00 0.01 0.00 0.00 72.50 69.58 2kem s THR 93 CO -0.07 0.00 1.45 -1.28 -0.69 0.00 0.00 174.62 174.03 2kem h SER 94 N 1.25 0.09 -1.49 3.53 0.87 -1.78 -3.35 113.55 112.68 2kem h SER 94 Ca -0.42 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.06 2kem h SER 94 Cb 1.28 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2kem h SER 94 CO 0.68 0.85 -0.00 -2.67 -0.53 0.00 0.00 176.83 175.16 2kem n TRP 95 N -3.64 -0.64 -0.44 2.24 4.27 -1.26 -2.39 117.44 115.57 2kem n TRP 95 Ca -0.02 -0.09 -0.25 0.00 -3.89 0.00 0.00 57.50 53.26 2kem n TRP 95 Cb 0.76 0.03 0.23 0.00 -1.36 0.00 0.00 31.31 30.96 2kem n TRP 95 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 2kem n SER 96 N -1.79 -3.15 0.00 -0.67 3.41 -1.19 -4.58 113.62 105.65 2kem n SER 96 Ca -0.00 -0.82 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 2kem n SER 96 Cb 0.02 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 2kem n SER 96 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2kem n PRO 97 N -4.81 0.00 0.00 4.33 -0.04 -1.26 -4.91 135.00 128.31 2kem n PRO 97 Ca 0.12 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2kem n PRO 97 Cb 0.48 -0.55 0.00 0.00 -0.04 0.00 0.00 33.50 33.39 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 0.82 -0.99 0.00 -5.15 -1.83 0.29 116.94 110.09 2kem h PHE 99 Ca 0.00 0.02 0.11 0.00 -0.20 0.00 0.00 57.97 57.90 2kem h PHE 99 Cb 0.00 -0.27 -0.08 0.00 0.22 0.00 0.00 35.95 35.83 2kem h PHE 99 CO 0.00 0.45 0.63 0.77 -2.00 0.00 0.00 178.31 178.16 2kem h SER 100 N 0.85 0.93 0.61 -0.68 0.02 -1.96 0.38 113.55 113.69 2kem h SER 100 Ca 0.30 0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 61.15 2kem h SER 100 Cb 0.08 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2kem h SER 100 CO -0.13 0.52 -0.63 0.00 -1.14 0.00 0.00 176.83 175.44 2kem h ALA 102 N 1.35 1.54 0.07 0.00 0.00 0.18 0.76 119.26 123.16 2kem h ALA 102 Ca -0.01 0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.68 2kem h ALA 102 Cb 1.12 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.80 2kem h ALA 102 CO 0.08 0.07 -1.14 1.96 0.00 0.00 0.00 179.25 180.22 2kem h GLN 103 N 0.85 0.60 0.40 0.00 4.20 -1.22 -2.11 115.11 117.83 2kem h GLN 103 Ca 0.53 -0.74 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 2kem h GLN 103 Cb 0.68 0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.70 2kem h GLN 103 CO -0.33 1.32 -0.19 0.93 -0.67 0.00 0.00 178.83 179.89 2kem h GLU 104 N 0.30 -0.52 -0.19 1.46 5.08 -0.90 -1.65 114.58 118.16 2kem h GLU 104 Ca -0.15 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2kem h GLU 104 Cb 1.80 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.16 2kem h GLU 104 CO 0.22 -0.21 -0.03 0.52 -1.00 0.00 0.00 179.01 178.50 2kem h MET 105 N -0.97 0.27 0.58 2.33 2.86 0.33 -2.87 114.93 117.47 2kem h MET 105 Ca -0.06 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 2kem h MET 105 Cb 0.55 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.17 2kem h MET 105 CO 0.09 0.33 -0.28 0.00 1.06 0.00 0.00 176.91 178.11 2kem h ALA 106 N 1.71 -0.94 -0.95 6.32 0.00 -1.38 0.85 119.26 124.87 2kem h ALA 106 Ca 0.06 -0.17 0.29 0.00 0.00 0.00 0.00 54.91 55.09 2kem h ALA 106 Cb 0.24 0.30 -0.17 0.00 0.00 0.00 0.00 17.79 18.16 2kem h ALA 106 CO 0.01 -0.88 0.20 -0.22 0.00 0.00 0.00 179.25 178.36 2kem h LYS 107 N -0.99 0.08 0.08 0.00 3.64 -1.22 3.50 116.57 121.67 2kem h LYS 107 Ca -0.08 -0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.05 2kem h LYS 107 Cb 0.60 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2kem h LYS 107 CO 0.13 0.05 -1.27 0.35 -2.27 0.00 0.00 179.45 176.44 2kem h PHE 108 N 0.08 0.32 0.06 1.91 3.57 -1.49 -2.79 116.94 118.60 2kem h PHE 108 Ca 0.63 -0.23 -0.37 0.00 3.53 0.00 0.00 57.97 61.53 2kem h PHE 108 Cb 1.38 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 40.06 2kem h PHE 108 CO -0.32 1.50 -2.19 -0.89 -2.23 0.00 0.00 178.31 174.18 2kem n ILE 109 N -4.07 1.63 -0.07 1.41 -0.00 0.29 -2.22 119.36 116.34 2kem n ILE 109 Ca -0.25 -0.65 -0.08 0.00 -0.00 0.00 0.00 62.75 61.77 2kem n ILE 109 Cb 0.83 -1.47 -0.05 0.00 -0.00 0.00 0.00 39.64 38.94 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 0.08 4.38 0.87 0.59 0.17 113.55 119.68 2kem h SER 110 Ca -0.48 -0.35 -0.09 0.00 -1.23 0.00 0.00 61.79 59.64 2kem h SER 110 Cb 2.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.94 2kem h SER 110 CO 0.02 0.82 -0.30 0.50 -0.53 0.00 0.00 176.83 177.33 2kem h LYS 111 N -1.00 0.34 0.00 2.24 1.63 0.26 -3.37 116.57 116.66 2kem h LYS 111 Ca -0.05 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 2kem h LYS 111 Cb 0.55 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 2kem h LYS 111 CO -0.03 0.61 -0.23 -1.71 -3.45 0.00 0.00 179.45 174.64 2kem n ASN 112 N -4.10 0.49 -1.61 4.20 2.85 -1.05 -4.99 115.26 111.04 2kem n ASN 112 Ca -0.01 0.14 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 2kem n ASN 112 Cb 0.42 -0.57 0.00 0.00 1.24 0.00 0.00 39.78 40.87 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 -2.98 -3.70 -0.50 1.20 5.02 0.61 -4.96 118.16 112.85 2kem n LYS 113 Ca -0.03 2.79 -0.01 0.00 -2.02 0.00 0.00 58.31 59.05 2kem n LYS 113 Cb 0.12 -2.94 -0.01 0.00 -0.02 0.00 0.00 35.03 32.19 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 1.26 0.00 -3.47 2.13 1.44 -1.26 -5.04 115.22 110.28 2kem n HIS 114 Ca 0.00 -0.04 -0.10 0.00 -2.01 0.00 0.00 57.72 55.57 2kem n HIS 114 Cb 0.00 0.26 -0.02 0.00 0.12 0.00 0.00 29.99 30.35 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 -0.22 0.61 0.11 -1.26 -4.43 120.40 115.21 2kem s VAL 115 Ca 0.00 -0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 58.93 2kem s VAL 115 Cb 0.00 -1.04 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 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 -2.65 5.56 -0.22 3.54 0.15 -1.05 -4.95 113.70 114.08 2kem s SER 116 Ca 0.03 -0.02 0.01 0.00 0.70 0.00 0.00 55.95 56.67 2kem s SER 116 Cb -0.01 -1.98 0.05 0.00 -1.71 0.00 0.00 66.02 62.37 2kem s SER 116 CO -0.11 0.07 -0.07 -0.76 1.20 0.00 0.00 173.24 173.57 2kem s LEU 117 N 1.00 2.49 -0.56 3.45 2.01 -1.12 0.14 118.68 126.09 2kem s LEU 117 Ca 0.05 -1.07 0.04 0.00 0.01 0.00 0.00 54.13 53.15 2kem s LEU 117 Cb -0.14 -1.21 0.14 0.00 0.01 0.00 0.00 46.19 44.99 2kem s LEU 117 CO 0.03 -0.20 0.31 0.00 1.01 0.00 0.00 176.35 177.50 2kem s ILE 119 N -0.51 4.67 -0.07 0.00 1.09 -0.55 0.82 121.20 126.65 2kem s ILE 119 Ca 0.18 -0.29 -0.30 0.00 -1.10 0.00 0.00 60.65 59.15 2kem s ILE 119 Cb -0.22 -4.43 -0.02 0.00 -1.06 0.00 0.00 42.46 36.73 2kem s ILE 119 CO -0.03 -1.00 1.07 -0.54 -0.10 0.00 0.00 174.94 174.34 2kem s LYS 120 N 3.18 4.42 -0.11 2.79 -0.14 0.99 -1.01 119.74 129.86 2kem s LYS 120 Ca 0.20 1.50 0.00 0.00 -1.36 0.00 0.00 55.97 56.31 2kem s LYS 120 Cb -0.17 -3.53 0.02 0.00 -1.68 0.00 0.00 37.83 32.47 2kem s LYS 120 CO 0.13 -0.32 -0.11 -0.08 -0.76 0.00 0.00 175.35 174.22 2kem s THR 121 N 1.90 1.23 0.59 2.17 -1.32 0.31 -0.04 115.64 120.48 2kem s THR 121 Ca 0.52 -0.44 0.30 0.00 -1.21 0.00 0.00 61.69 60.86 2kem s THR 121 Cb -0.21 -1.19 0.36 0.00 -1.51 0.00 0.00 72.50 69.95 2kem s THR 121 CO 0.21 0.40 2.26 0.00 -2.21 0.00 0.00 174.62 175.28 2kem h ALA 122 N 7.85 1.51 -1.34 11.08 0.00 -1.60 -0.73 119.26 136.04 2kem h ALA 122 Ca -0.32 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.72 2kem h ALA 122 Cb 1.15 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.64 2kem h ALA 122 CO 0.46 -0.01 0.64 0.50 0.00 0.00 0.00 179.25 180.85 2kem s ARG 123 N -4.61 0.28 0.10 0.00 3.52 -1.25 -4.72 118.95 112.27 2kem s ARG 123 Ca -0.05 0.35 -0.31 0.00 -0.13 0.00 0.00 55.73 55.59 2kem s ARG 123 Cb 0.15 0.12 -0.08 0.00 -1.56 0.00 0.00 34.95 33.58 2kem s ARG 123 CO 0.54 -0.04 1.47 0.42 -0.81 0.00 0.00 175.30 176.89 2kem s ILE 124 N 0.32 3.17 -0.33 4.11 -1.09 -1.26 -3.16 121.20 122.95 2kem s ILE 124 Ca 0.03 0.78 -0.28 0.00 -2.23 0.00 0.00 60.65 58.94 2kem s ILE 124 Cb -0.05 -3.50 -0.07 0.00 -1.58 0.00 0.00 42.46 37.27 2kem s ILE 124 CO -0.11 0.04 2.29 0.00 -1.23 0.00 0.00 174.94 175.93 2kem n TYR 125 N 4.42 1.73 -4.78 3.97 9.36 -1.26 -4.93 117.16 125.67 2kem n TYR 125 Ca 0.13 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 61.03 2kem n TYR 125 Cb 0.41 -2.67 -0.17 0.00 -0.63 0.00 0.00 39.34 36.28 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 9.46 3.03 0.00 2.98 -1.08 -1.26 -3.94 116.67 125.86 2kem s ASP 126 Ca 1.02 -0.58 0.00 0.00 -0.52 0.00 0.00 52.55 52.47 2kem s ASP 126 Cb -0.36 -1.40 0.00 0.00 -1.46 0.00 0.00 42.92 39.70 2kem s ASP 126 CO 0.34 0.09 0.00 -0.90 0.52 0.00 0.00 175.17 175.22 2kem n ASP 127 N 3.95 0.00 0.00 -0.34 5.75 -1.26 -5.02 116.55 119.63 2kem n ASP 127 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.58 2kem n ASP 127 Cb 0.52 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 2kem n ASP 127 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2kem n GLN 128 N -1.62 0.00 0.00 0.11 7.27 -1.26 -5.13 117.38 116.75 2kem n GLN 128 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2kem n GLN 128 Cb 0.00 -0.06 0.00 0.00 2.41 0.00 0.00 30.24 32.59 2kem n GLN 128 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kem n GLY 129 N -0.65 -2.76 2.73 1.69 0.00 -1.26 -5.03 105.19 99.90 2kem n GLY 129 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 2kem n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kem n ARG 130 N 0.00 0.98 0.28 1.61 1.74 -1.26 -4.98 116.66 115.03 2kem n ARG 130 Ca 0.00 -1.89 0.18 0.00 -0.77 0.00 0.00 57.85 55.38 2kem n ARG 130 Cb 0.00 -1.05 0.95 0.00 -1.02 0.00 0.00 32.46 31.34 2kem n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kem h ALA 131 N 3.07 1.45 -0.91 7.54 0.00 -1.96 -2.46 119.26 125.99 2kem h ALA 131 Ca -0.11 -0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.05 2kem h ALA 131 Cb 1.10 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 2kem h ALA 131 CO 0.14 -0.20 0.37 -0.56 0.00 0.00 0.00 179.25 179.01 2kem h GLN 132 N 0.00 0.31 0.00 0.00 3.07 -1.94 0.69 115.11 117.24 2kem h GLN 132 Ca 0.04 -0.02 -0.15 0.00 0.09 0.00 0.00 58.65 58.61 2kem h GLN 132 Cb 0.36 -0.07 -0.02 0.00 0.08 0.00 0.00 27.48 27.83 2kem h GLN 132 CO -0.00 0.20 -0.71 1.05 0.09 0.00 0.00 178.83 179.47 2kem h GLU 133 N 0.32 0.00 -0.09 0.06 4.11 -1.81 -2.23 114.58 114.94 2kem h GLU 133 Ca 0.59 0.00 0.04 0.00 0.07 0.00 0.00 59.36 60.06 2kem h GLU 133 Cb 1.21 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 2kem h GLU 133 CO -0.59 0.71 -0.19 0.78 0.07 0.00 0.00 179.01 179.79 2kem h GLY 134 N 2.22 -0.18 2.00 1.06 0.00 0.27 -2.10 103.07 106.34 2kem h GLY 134 Ca -0.01 0.23 -0.12 0.00 0.00 0.00 0.00 47.33 47.43 2kem h GLY 134 CO 0.09 -0.17 -0.57 1.41 0.00 0.00 0.00 176.54 177.30 2kem h LEU 135 N -0.26 0.00 0.17 3.11 4.07 -1.53 -2.86 115.31 118.03 2kem h LEU 135 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.05 2kem h LEU 135 Cb 0.38 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 2kem h LEU 135 CO -0.24 0.57 -0.34 0.08 -1.08 0.00 0.00 178.44 177.43 2kem h ARG 136 N 0.00 -0.53 -0.15 1.13 0.11 -0.76 1.85 114.38 116.03 2kem h ARG 136 Ca -0.01 0.04 -0.13 0.00 0.10 0.00 0.00 59.98 59.98 2kem h ARG 136 Cb 1.37 0.12 -0.01 0.00 1.11 0.00 0.00 29.97 32.56 2kem h ARG 136 CO 0.07 -0.36 -0.46 1.15 0.10 0.00 0.00 179.97 180.48 2kem h THR 137 N -0.55 1.32 0.08 0.08 2.02 -1.53 -2.04 112.91 112.30 2kem h THR 137 Ca -0.02 -1.65 -0.00 0.00 0.77 0.00 0.00 66.41 65.50 2kem h THR 137 Cb 0.52 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 2kem h THR 137 CO -0.13 0.50 -0.04 -0.07 0.37 0.00 0.00 175.52 176.15 2kem h LEU 138 N 0.30 -0.09 -1.63 2.58 3.38 -1.23 -1.96 115.31 116.66 2kem h LEU 138 Ca 0.02 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.17 2kem h LEU 138 Cb 0.93 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2kem h LEU 138 CO 0.08 -0.03 0.72 0.00 0.09 0.00 0.00 178.44 179.30 2kem h ALA 139 N -1.87 2.37 -0.09 1.53 0.00 1.27 1.38 119.26 123.84 2kem h ALA 139 Ca -0.01 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 2kem h ALA 139 Cb 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2kem h ALA 139 CO 0.02 -1.03 -0.70 0.93 0.00 0.00 0.00 179.25 178.47 2kem h GLU 140 N 0.00 0.41 0.00 0.00 4.39 -1.28 -3.40 114.58 114.70 2kem h GLU 140 Ca 0.28 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2kem h GLU 140 Cb 1.72 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.43 2kem h GLU 140 CO -0.00 0.95 0.00 0.00 -1.16 0.00 0.00 179.01 178.80 2kem n ALA 141 N -2.51 0.00 0.21 3.43 0.00 0.41 -4.97 120.51 117.08 2kem n ALA 141 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.51 2kem n ALA 141 Cb 0.69 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.38 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 0.20 -3.14 103.07 100.13 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 -2.13 0.00 -1.92 3.60 0.00 0.23 -4.49 120.51 115.79 2kem n ALA 143 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 2kem n ALA 143 Cb 0.53 0.00 -0.04 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 2.38 -0.76 0.00 2.20 0.26 0.16 119.74 123.99 2kem s LYS 144 Ca 0.00 0.28 -0.26 0.00 -0.36 0.00 0.00 55.97 55.63 2kem s LYS 144 Cb 0.00 -4.76 0.03 0.00 -1.51 0.00 0.00 37.83 31.59 2kem s LYS 144 CO 0.00 -3.33 1.36 0.42 -0.36 0.00 0.00 175.35 173.44 2kem s ILE 145 N 10.71 3.71 0.56 5.43 -1.09 -1.26 -1.48 121.20 137.77 2kem s ILE 145 Ca 0.75 0.26 -0.07 0.00 -2.23 0.00 0.00 60.65 59.36 2kem s ILE 145 Cb -0.11 -4.84 -0.02 0.00 -1.58 0.00 0.00 42.46 35.91 2kem s ILE 145 CO 0.10 -1.78 0.90 -0.44 -1.23 0.00 0.00 174.94 172.49 2kem s SER 146 N 4.30 6.01 -0.12 3.58 0.01 -0.18 -4.90 113.70 122.41 2kem s SER 146 Ca 0.39 1.01 -0.25 0.00 1.31 0.00 0.00 55.95 58.41 2kem s SER 146 Cb -0.08 -2.14 -0.02 0.00 0.21 0.00 0.00 66.02 64.00 2kem s SER 146 CO 0.13 -0.84 0.80 -0.63 0.41 0.00 0.00 173.24 173.11 2kem s ILE 147 N -2.96 4.94 -1.32 1.44 1.09 -1.26 -0.53 121.20 122.58 2kem s ILE 147 Ca 0.52 1.61 -0.14 0.00 -1.10 0.00 0.00 60.65 61.54 2kem s ILE 147 Cb -0.11 -4.12 0.10 0.00 -1.06 0.00 0.00 42.46 37.28 2kem s ILE 147 CO 0.48 0.12 1.85 0.80 -0.10 0.00 0.00 174.94 178.09 2kem n MET 148 N 4.60 3.23 -1.66 2.79 1.56 -0.28 -4.55 117.12 122.82 2kem n MET 148 Ca 0.03 -3.26 -0.04 0.00 -0.27 0.00 0.00 57.70 54.16 2kem n MET 148 Cb 0.50 -3.21 0.01 0.00 2.15 0.00 0.00 33.22 32.66 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 4.93 0.00 -0.27 1.12 -2.24 -1.26 -4.30 114.28 112.26 2kem n THR 149 Ca 0.45 -0.39 0.20 0.00 -2.27 0.00 0.00 64.05 62.04 2kem n THR 149 Cb 0.41 -0.66 0.38 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.99 0.76 -0.01 4.78 0.18 -1.26 0.35 117.16 120.97 2kem n TYR 150 Ca 0.01 0.97 -0.08 0.00 1.88 0.00 0.00 57.90 60.68 2kem n TYR 150 Cb 0.12 -1.26 -0.07 0.00 -0.38 0.00 0.00 39.34 37.74 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 -0.08 0.52 9.48 0.02 -1.93 -1.47 113.55 120.08 2kem h SER 151 Ca 0.61 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2kem h SER 151 Cb 1.48 0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.04 2kem h SER 151 CO -0.69 0.58 0.00 -0.62 -1.14 0.00 0.00 176.83 174.96 2kem n GLU 152 N -4.80 0.13 -0.07 3.45 4.71 -0.07 -2.65 120.64 121.34 2kem n GLU 152 Ca -0.06 0.42 -0.10 0.00 -0.01 0.00 0.00 57.16 57.41 2kem n GLU 152 Cb 0.25 -1.78 -0.08 0.00 -1.01 0.00 0.00 31.44 28.83 2kem n GLU 152 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 2kem h PHE 153 N 0.00 0.00 -0.87 -0.32 3.57 0.61 -0.81 116.94 119.13 2kem h PHE 153 Ca 0.00 0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.72 2kem h PHE 153 Cb 0.26 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 38.86 2kem h PHE 153 CO 0.00 0.69 0.27 0.87 -2.23 0.00 0.00 178.31 177.91 2kem h LYS 154 N -1.00 0.25 -0.40 1.11 1.57 -1.03 1.44 116.57 118.52 2kem h LYS 154 Ca -0.06 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.55 2kem h LYS 154 Cb 0.71 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 2kem h LYS 154 CO -0.04 0.17 -0.36 1.25 -0.57 0.00 0.00 179.45 179.90 2kem h HIS 155 N 0.26 1.13 0.51 -1.35 2.76 -1.62 -2.91 115.15 113.93 2kem h HIS 155 Ca 0.54 -0.33 -0.02 0.00 -2.20 0.00 0.00 60.37 58.35 2kem h HIS 155 Cb 1.06 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.79 2kem h HIS 155 CO -0.23 1.16 -0.25 0.00 -1.30 0.00 0.00 177.93 177.31 2kem h TRP 157 N -0.69 -1.72 0.00 0.00 2.91 0.15 0.88 115.95 117.47 2kem h TRP 157 Ca -0.07 0.10 0.00 0.00 1.13 0.00 0.00 58.89 60.05 2kem h TRP 157 Cb 0.53 0.83 0.00 0.00 -0.51 0.00 0.00 29.16 30.01 2kem h TRP 157 CO -0.04 -0.43 0.00 -3.47 -1.03 0.00 0.00 178.44 173.47 2kem n ASP 158 N -5.23 0.00 -0.06 2.65 -0.08 -1.10 0.57 116.55 113.30 2kem n ASP 158 Ca -0.01 -0.17 -0.15 0.00 -1.51 0.00 0.00 54.79 52.95 2kem n ASP 158 Cb 0.30 -0.22 -0.06 0.00 2.34 0.00 0.00 41.12 43.47 2kem n ASP 158 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kem h THR 159 N 0.00 1.33 0.00 5.18 1.03 0.42 -3.40 112.91 117.47 2kem h THR 159 Ca 0.00 -1.62 -0.05 0.00 -0.01 0.00 0.00 66.41 64.74 2kem h THR 159 Cb 0.16 1.85 -0.01 0.00 -1.07 0.00 0.00 68.15 69.08 2kem h THR 159 CO 0.00 0.50 -1.17 0.33 -0.01 0.00 0.00 175.52 175.17 2kem n PHE 160 N -4.24 0.00 -3.40 0.00 -0.00 -1.01 -4.47 117.46 104.33 2kem n PHE 160 Ca -0.06 0.00 -0.44 0.00 -0.00 0.00 0.00 57.45 56.95 2kem n PHE 160 Cb 0.53 -0.12 -0.06 0.00 -0.00 0.00 0.00 39.48 39.83 2kem n PHE 160 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2kem s VAL 161 N -2.06 4.86 0.30 -2.13 0.11 0.19 -3.14 120.40 118.53 2kem s VAL 161 Ca -0.04 -1.55 0.04 0.00 -2.93 0.00 0.00 61.98 57.50 2kem s VAL 161 Cb 0.01 -4.12 0.32 0.00 -1.53 0.00 0.00 36.38 31.06 2kem s VAL 161 CO 0.08 -0.80 1.65 -2.24 -3.33 0.00 0.00 175.10 170.45 2kem h ASP 162 N 8.72 0.07 0.00 3.54 2.03 -1.77 -3.06 116.42 125.95 2kem h ASP 162 Ca -0.27 0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 2kem h ASP 162 Cb 1.09 0.25 0.00 0.00 -0.83 0.00 0.00 39.33 39.84 2kem h ASP 162 CO 0.96 -0.16 0.00 0.00 -1.03 0.00 0.00 179.24 179.01 2kem n HIS 163 N -5.21 0.00 -2.10 4.15 1.44 -1.26 -4.69 115.22 107.56 2kem n HIS 163 Ca 0.23 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.85 2kem n HIS 163 Cb 0.74 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.84 2kem n HIS 163 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2kem n GLN 164 N 0.00 -2.06 0.00 -1.40 6.02 -1.26 0.11 117.38 118.79 2kem n GLN 164 Ca 0.00 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.46 2kem n GLN 164 Cb 0.00 -4.92 0.00 0.00 1.02 0.00 0.00 30.24 26.34 2kem n GLN 164 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kem n GLY 165 N -0.56 0.85 3.03 1.08 0.00 -1.26 -5.08 105.19 103.25 2kem n GLY 165 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 2.41 0.00 4.61 0.00 0.30 -5.05 121.76 122.03 2kem s ALA 166 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.26 2kem s ALA 166 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.55 2kem s ALA 166 CO 0.00 -1.23 0.99 -2.30 0.00 0.00 0.00 175.76 173.22 2kem n PRO 167 N 4.49 0.00 -4.33 0.00 -0.02 -1.26 -4.16 135.00 129.71 2kem n PRO 167 Ca -0.12 0.57 -0.19 0.00 -2.02 0.00 0.00 63.50 61.73 2kem n PRO 167 Cb 0.43 -1.49 -0.15 0.00 -0.02 0.00 0.00 33.50 32.26 2kem n PRO 167 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2kem s PHE 168 N -2.96 0.82 -0.08 6.00 0.08 -1.26 -4.78 117.98 115.80 2kem s PHE 168 Ca 0.00 -0.19 -0.21 0.00 0.12 0.00 0.00 56.93 56.65 2kem s PHE 168 Cb 0.00 -0.58 -0.04 0.00 -0.57 0.00 0.00 43.02 41.83 2kem s PHE 168 CO 0.00 -0.07 0.60 -1.14 -0.10 0.00 0.00 175.22 174.51 2kem s GLN 169 N 0.09 4.39 -0.11 0.44 2.00 -1.26 -5.00 119.66 120.21 2kem s GLN 169 Ca -0.01 0.69 -0.27 0.00 -2.00 0.00 0.00 55.36 53.77 2kem s GLN 169 Cb -0.07 -3.43 -0.27 0.00 0.80 0.00 0.00 33.01 30.04 2kem s GLN 169 CO 0.00 0.13 0.82 -1.00 -0.50 0.00 0.00 175.29 174.74 2kem h PRO 170 N 6.64 0.09 0.00 1.67 0.13 -1.99 -3.42 132.00 135.11 2kem h PRO 170 Ca -0.41 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2kem h PRO 170 Cb 1.19 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kem h PRO 170 CO 0.75 1.05 0.00 1.87 -0.23 0.00 0.00 178.00 181.44 2kem n TRP 171 N -4.48 0.00 0.00 1.56 -0.00 -1.26 -4.77 117.44 108.49 2kem n TRP 171 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.39 2kem n TRP 171 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.88 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 1.84 0.00 0.07 5.87 -0.08 -1.26 -4.59 116.55 118.40 2kem n ASP 172 Ca 0.00 0.00 0.21 0.00 -1.51 0.00 0.00 54.79 53.49 2kem n ASP 172 Cb 0.00 0.00 0.69 0.00 2.34 0.00 0.00 41.12 44.15 2kem n ASP 172 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2kem h GLY 173 N 0.00 0.00 2.00 0.27 0.00 -1.99 0.95 103.07 104.30 2kem h GLY 173 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2kem h GLY 173 CO 0.00 0.00 -0.04 0.17 0.00 0.00 0.00 176.54 176.67 2kem h LEU 174 N 0.00 0.00 -0.64 3.11 -0.00 -1.88 -1.84 115.31 114.06 2kem h LEU 174 Ca 0.22 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.98 2kem h LEU 174 Cb 1.38 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.03 2kem h LEU 174 CO -0.00 0.04 -0.22 -0.78 -0.00 0.00 0.00 178.44 177.48 2kem h ASP 175 N 0.00 0.85 -0.31 0.17 1.82 0.59 0.34 116.42 119.89 2kem h ASP 175 Ca -0.00 -0.31 -0.01 0.00 -0.39 0.00 0.00 57.03 56.32 2kem h ASP 175 Cb 0.51 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 2kem h ASP 175 CO 0.01 1.04 0.16 -0.08 -1.61 0.00 0.00 179.24 178.76 2kem h GLU 176 N 0.73 0.44 0.00 0.28 4.81 -1.39 -0.19 114.58 119.25 2kem h GLU 176 Ca 0.10 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2kem h GLU 176 Cb 0.75 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.05 2kem h GLU 176 CO 0.06 0.39 -0.03 0.45 -0.73 0.00 0.00 179.01 179.16 2kem h HIS 177 N 0.37 0.00 0.18 0.92 3.86 -1.16 -2.21 115.15 117.11 2kem h HIS 177 Ca 0.11 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2kem h HIS 177 Cb 0.09 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 2kem h HIS 177 CO -0.02 0.03 -0.11 1.03 0.86 0.00 0.00 177.93 179.71 2kem h SER 178 N 0.00 -0.28 0.56 2.45 0.87 0.15 2.77 113.55 120.07 2kem h SER 178 Ca -0.00 0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.43 2kem h SER 178 Cb 0.45 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 2kem h SER 178 CO 0.00 -0.19 -0.65 0.06 -0.53 0.00 0.00 176.83 175.52 2kem h GLN 179 N -0.29 0.09 0.00 2.24 3.07 -1.29 -2.07 115.11 116.86 2kem h GLN 179 Ca -0.02 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.66 2kem h GLN 179 Cb 0.24 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.82 2kem h GLN 179 CO 0.01 0.71 -0.00 -0.44 0.09 0.00 0.00 178.83 179.21 2kem h ASP 180 N 0.06 0.00 -0.60 0.06 3.32 -0.99 -2.28 116.42 115.99 2kem h ASP 180 Ca -0.01 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.14 2kem h ASP 180 Cb 1.17 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.60 2kem h ASP 180 CO 0.09 0.02 -0.35 0.25 -1.72 0.00 0.00 179.24 177.54 2kem h LEU 181 N -0.04 -1.20 -0.52 1.55 6.46 0.48 0.29 115.31 122.33 2kem h LEU 181 Ca 0.00 0.23 0.03 0.00 -0.12 0.00 0.00 57.88 58.02 2kem h LEU 181 Cb 0.00 0.59 -0.04 0.00 -0.73 0.00 0.00 40.66 40.48 2kem h LEU 181 CO 0.00 -0.31 0.29 -1.28 -0.62 0.00 0.00 178.44 176.53 2kem h SER 182 N -0.16 0.45 -0.23 1.25 0.87 -1.31 0.12 113.55 114.54 2kem h SER 182 Ca 0.23 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.87 2kem h SER 182 Cb 0.55 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2kem h SER 182 CO -0.69 0.31 0.21 1.23 -0.53 0.00 0.00 176.83 177.36 2kem h GLY 183 N 0.57 0.00 0.55 5.77 0.00 -0.03 -0.92 103.07 109.01 2kem h GLY 183 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.46 2kem h GLY 183 CO -0.12 0.00 -0.36 3.21 0.00 0.00 0.00 176.54 179.27 2kem h ARG 184 N 0.00 0.24 -0.89 4.80 2.47 0.20 -1.53 114.38 119.67 2kem h ARG 184 Ca 0.11 -0.26 0.20 0.00 -1.26 0.00 0.00 59.98 58.77 2kem h ARG 184 Cb 0.52 0.07 -0.12 0.00 -1.65 0.00 0.00 29.97 28.80 2kem h ARG 184 CO -0.00 0.98 0.42 -0.07 0.56 0.00 0.00 179.97 181.86 2kem h LEU 185 N -0.39 0.42 -0.64 3.04 4.07 0.16 1.66 115.31 123.63 2kem h LEU 185 Ca -0.04 0.13 -0.07 0.00 0.08 0.00 0.00 57.88 57.97 2kem h LEU 185 Cb 1.10 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.92 2kem h LEU 185 CO 0.07 0.07 -0.36 0.03 -1.08 0.00 0.00 178.44 177.18 2kem h ARG 186 N 0.48 0.00 0.00 1.13 -0.00 -1.41 0.98 114.38 115.56 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 0.95 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.88 2kem h ARG 186 CO -0.47 0.36 -1.41 0.00 0.00 0.00 0.00 179.97 178.44 2kem h ALA 187 N 1.64 0.66 0.08 0.04 0.00 0.17 -3.35 119.26 118.50 2kem h ALA 187 Ca -0.00 -1.12 -0.36 0.00 0.00 0.00 0.00 54.91 53.43 2kem h ALA 187 Cb 1.02 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2kem h ALA 187 CO 0.05 1.26 -2.08 0.44 0.00 0.00 0.00 179.25 178.92 2kem n ILE 188 N -3.06 1.68 -0.15 0.00 -5.35 0.49 0.11 119.36 113.09 2kem n ILE 188 Ca -0.10 -0.67 -0.03 0.00 -0.27 0.00 0.00 62.75 61.68 2kem n ILE 188 Cb 0.95 -1.52 0.04 0.00 -1.74 0.00 0.00 39.64 37.36 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 -0.38 -3.21 7.28 -0.00 -0.96 -2.51 115.31 115.58 2kem h LEU 189 Ca -0.45 0.14 -0.11 0.00 -0.00 0.00 0.00 57.88 57.46 2kem h LEU 189 Cb 2.01 0.27 -0.07 0.00 -0.00 0.00 0.00 40.66 42.88 2kem h LEU 189 CO 0.05 -0.14 -0.28 1.67 -0.00 0.00 0.00 178.44 179.74 2kem n GLN 190 N -5.32 1.76 -1.96 1.13 7.27 -1.26 -4.77 117.38 114.24 2kem n GLN 190 Ca 0.04 -3.27 -0.14 0.00 0.07 0.00 0.00 57.00 53.70 2kem n GLN 190 Cb 0.26 -1.74 -0.03 0.00 2.41 0.00 0.00 30.24 31.13 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 -1.12 -4.06 -4.56 1.69 2.85 -0.94 -4.82 115.26 104.30 2kem n ASN 191 Ca 0.27 0.24 -0.28 0.00 -0.11 0.00 0.00 54.58 54.71 2kem n ASN 191 Cb 0.88 -3.57 -0.05 0.00 1.24 0.00 0.00 39.78 38.29 2kem n ASN 191 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2kem s GLN 192 N -4.19 2.50 0.38 1.20 -0.21 0.31 -4.91 119.66 114.74 2kem s GLN 192 Ca 0.00 -0.08 -0.28 0.00 0.02 0.00 0.00 55.36 55.02 2kem s GLN 192 Cb 0.00 -4.93 -0.11 0.00 1.00 0.00 0.00 33.01 28.97 2kem s GLN 192 CO 0.00 -3.34 1.47 0.39 -2.12 0.00 0.00 175.29 171.69 2kem n GLU 193 N 8.91 2.59 0.00 2.91 -0.58 -1.26 -4.12 120.64 129.09 2kem n GLU 193 Ca 0.37 0.91 0.00 0.00 -0.42 0.00 0.00 57.16 58.03 2kem n GLU 193 Cb 0.48 -2.64 0.00 0.00 -0.57 0.00 0.00 31.44 28.70 2kem n GLU 193 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94