#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 -0.10 3.84 5.41 0.46 -4.65 119.36 124.32 2kem n ILE 2 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 2kem n ILE 2 Cb 0.00 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 38.82 2kem n ILE 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2kem n LEU 3 N 0.00 1.66 0.06 1.39 0.00 -1.26 -1.05 117.00 117.80 2kem n LEU 3 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 56.01 56.03 2kem n LEU 3 Cb 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 43.42 43.13 2kem n LEU 3 CO 0.00 0.66 -0.23 -1.14 0.00 0.00 0.00 177.39 176.68 2kem n ARG 4 N -2.90 0.62 -0.11 1.96 0.63 -1.26 -4.30 116.66 111.30 2kem n ARG 4 Ca -0.33 0.07 -0.21 0.00 -0.92 0.00 0.00 57.85 56.46 2kem n ARG 4 Cb 0.97 -1.75 -0.09 0.00 0.45 0.00 0.00 32.46 32.03 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 -2.63 0.68 0.00 -0.14 8.25 -1.26 -4.94 115.22 115.17 2kem n HIS 5 Ca -0.04 0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 2kem n HIS 5 Cb 0.63 -1.00 0.00 0.00 1.12 0.00 0.00 29.99 30.73 2kem n HIS 5 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2kem n SER 6 N -4.41 0.00 -3.04 0.41 3.41 -1.14 -4.72 113.62 104.14 2kem n SER 6 Ca -0.34 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 2kem n SER 6 Cb 0.68 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 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 -0.40 1.62 -4.08 4.33 1.56 -0.21 -0.41 117.12 119.54 2kem n MET 7 Ca 0.00 0.00 -0.27 0.00 -0.27 0.00 0.00 57.70 57.16 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 -0.51 -0.73 0.00 0.00 175.97 174.73 2kem s ASP 8 N -1.04 5.51 0.16 6.12 1.11 -1.26 -4.83 116.67 122.45 2kem s ASP 8 Ca 0.00 -0.12 -0.15 0.00 0.18 0.00 0.00 52.55 52.46 2kem s ASP 8 Cb 0.00 -1.44 0.08 0.00 1.07 0.00 0.00 42.92 42.63 2kem s ASP 8 CO 0.00 0.08 1.76 -0.65 1.18 0.00 0.00 175.17 177.54 2kem h PRO 9 N 2.51 0.34 -0.94 8.23 0.11 -2.01 -2.01 132.00 138.23 2kem h PRO 9 Ca -0.48 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2kem h PRO 9 Cb 1.20 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2kem h PRO 9 CO 0.63 0.23 0.03 -0.35 -0.21 0.00 0.00 178.00 178.33 2kem n PRO 10 N -4.97 1.63 -0.03 1.05 -0.04 -1.26 -3.28 135.00 128.10 2kem n PRO 10 Ca 0.02 -0.60 -0.03 0.00 -0.04 0.00 0.00 63.50 62.86 2kem n PRO 10 Cb 0.12 -1.55 -0.01 0.00 -0.04 0.00 0.00 33.50 32.03 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 0.14 0.51 -0.14 0.52 -1.04 -0.75 -4.56 114.28 108.96 2kem n THR 11 Ca 0.07 0.38 -0.28 0.00 -2.04 0.00 0.00 64.05 62.18 2kem n THR 11 Cb 0.50 -1.80 -0.10 0.00 -1.82 0.00 0.00 70.33 67.11 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 -3.15 0.09 0.15 -1.42 3.01 -1.25 -2.30 117.46 112.59 2kem n PHE 12 Ca -0.04 0.04 0.18 0.00 1.01 0.00 0.00 57.45 58.64 2kem n PHE 12 Cb 0.16 -1.01 0.68 0.00 -0.01 0.00 0.00 39.48 39.30 2kem n PHE 12 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 2kem h THR 13 N -0.92 0.18 0.00 4.37 1.35 -1.81 2.84 112.91 118.93 2kem h THR 13 Ca -0.67 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2kem h THR 13 Cb 1.62 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2kem h THR 13 CO -0.38 0.00 -0.52 0.33 -0.25 0.00 0.00 175.52 174.70 2kem n PHE 14 N -3.31 0.81 -0.03 4.73 -0.00 -1.23 -4.28 117.46 114.14 2kem n PHE 14 Ca 0.06 0.35 -0.13 0.00 -0.00 0.00 0.00 57.45 57.73 2kem n PHE 14 Cb 0.69 -0.72 -0.09 0.00 -0.00 0.00 0.00 39.48 39.35 2kem n PHE 14 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.76 175.79 2kem h ASN 15 N -0.94 0.14 -0.94 -2.13 -1.24 -0.86 -3.25 115.58 106.36 2kem h ASN 15 Ca 0.00 -0.55 0.28 0.00 0.71 0.00 0.00 56.30 56.74 2kem h ASN 15 Cb 0.52 -0.04 -0.16 0.00 0.73 0.00 0.00 38.32 39.37 2kem h ASN 15 CO 0.00 0.66 0.23 2.19 -1.29 0.00 0.00 177.43 179.22 2kem h PHE 16 N -0.38 0.31 -1.37 0.67 -0.00 0.48 -2.80 116.94 113.86 2kem h PHE 16 Ca 0.00 0.05 -0.45 0.00 -0.00 0.00 0.00 57.97 57.58 2kem h PHE 16 Cb 0.63 0.02 -0.06 0.00 -0.00 0.00 0.00 35.95 36.54 2kem h PHE 16 CO 0.11 -0.32 1.11 1.21 -0.00 0.00 0.00 178.31 180.42 2kem s ASN 17 N -4.97 5.63 -0.44 -0.68 2.47 -1.22 -4.31 114.94 111.42 2kem s ASN 17 Ca -0.12 -0.56 -0.31 0.00 0.42 0.00 0.00 52.86 52.29 2kem s ASN 17 Cb 0.28 -2.55 0.05 0.00 -1.45 0.00 0.00 41.25 37.57 2kem s ASN 17 CO 0.78 -2.24 0.64 -3.20 -3.72 0.00 0.00 177.10 169.35 2kem n ASN 18 N 11.85 -6.34 -4.51 -4.21 4.05 -1.25 -4.68 115.26 110.18 2kem n ASN 18 Ca 0.28 0.09 -0.44 0.00 0.45 0.00 0.00 54.58 54.95 2kem n ASN 18 Cb 0.49 -2.90 -0.06 0.00 1.23 0.00 0.00 39.78 38.54 2kem n ASN 18 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2kem n GLU 19 N -0.20 1.10 0.14 1.20 -0.58 -1.06 -4.79 120.64 116.46 2kem n GLU 19 Ca -0.02 0.22 0.11 0.00 -0.42 0.00 0.00 57.16 57.05 2kem n GLU 19 Cb 0.61 -2.75 0.53 0.00 -0.57 0.00 0.00 31.44 29.26 2kem n GLU 19 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2kem n PRO 20 N 8.55 0.15 -1.30 3.49 -0.02 -1.26 -4.97 135.00 139.65 2kem n PRO 20 Ca 0.41 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 2kem n PRO 20 Cb 0.33 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2kem n PRO 20 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 2kem n TRP 21 N -2.21 -3.43 -0.49 6.00 -0.00 -1.26 -4.95 117.44 111.09 2kem n TRP 21 Ca -0.00 1.80 -0.18 0.00 -0.00 0.00 0.00 57.50 59.12 2kem n TRP 21 Cb 0.10 -3.02 0.16 0.00 -0.00 0.00 0.00 31.31 28.55 2kem n TRP 21 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 2kem n VAL 22 N -0.19 0.00 0.02 5.87 0.24 -1.26 -4.95 118.33 118.05 2kem n VAL 22 Ca 0.00 -0.03 -0.07 0.00 -2.04 0.00 0.00 64.34 62.20 2kem n VAL 22 Cb 0.00 -0.53 -0.05 0.00 -1.47 0.00 0.00 33.84 31.79 2kem n VAL 22 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2kem h ARG 23 N -2.80 -0.16 -2.35 7.34 -0.00 -2.05 -3.45 114.38 110.91 2kem h ARG 23 Ca -0.24 0.01 -0.40 0.00 -0.50 0.00 0.00 59.98 58.84 2kem h ARG 23 Cb 0.79 0.04 -0.35 0.00 0.00 0.00 0.00 29.97 30.44 2kem h ARG 23 CO 0.15 0.16 -0.69 0.20 0.00 0.00 0.00 179.97 179.78 2kem s GLY 24 N -3.46 0.10 0.03 0.04 0.00 -1.26 -5.08 107.32 97.69 2kem s GLY 24 Ca -0.08 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 43.98 2kem s GLY 24 CO 0.29 2.45 0.00 -2.13 0.00 0.00 0.00 173.10 173.71 2kem n ARG 25 N 5.17 -0.40 -4.24 2.90 0.63 -1.26 -5.06 116.66 114.40 2kem n ARG 25 Ca -0.02 0.40 -0.27 0.00 -0.92 0.00 0.00 57.85 57.03 2kem n ARG 25 Cb 0.45 -0.31 -0.09 0.00 0.45 0.00 0.00 32.46 32.95 2kem n ARG 25 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2kem s HIS 26 N -0.83 2.74 -0.65 -0.14 2.46 -1.26 -4.89 115.29 112.71 2kem s HIS 26 Ca 0.00 -0.17 -0.05 0.00 0.47 0.00 0.00 55.06 55.30 2kem s HIS 26 Cb 0.00 -1.35 -0.10 0.00 -0.13 0.00 0.00 32.58 30.99 2kem s HIS 26 CO 0.00 0.50 2.37 -1.91 -2.47 0.00 0.00 174.74 173.22 2kem n GLU 27 N 0.13 1.98 -0.09 2.88 2.13 -1.26 -4.63 120.64 121.78 2kem n GLU 27 Ca -0.11 -1.24 -0.03 0.00 0.66 0.00 0.00 57.16 56.44 2kem n GLU 27 Cb 0.55 -2.25 -0.00 0.00 0.27 0.00 0.00 31.44 30.00 2kem n GLU 27 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2kem n THR 28 N 3.55 0.00 -3.71 6.31 -2.24 -1.26 -4.59 114.28 112.34 2kem n THR 28 Ca 0.42 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 62.02 2kem n THR 28 Cb 0.32 -0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.37 2kem n THR 28 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2kem s TYR 29 N 0.03 0.05 -0.03 4.78 6.14 -1.26 -2.47 117.35 124.57 2kem s TYR 29 Ca 0.05 0.21 0.04 0.00 0.64 0.00 0.00 57.07 58.01 2kem s TYR 29 Cb -0.07 -0.38 -0.00 0.00 0.42 0.00 0.00 41.96 41.92 2kem s TYR 29 CO 0.03 -0.15 -0.14 -0.48 0.64 0.00 0.00 175.55 175.45 2kem s LEU 30 N 1.74 1.88 0.01 6.97 0.05 -0.63 -3.64 118.68 125.05 2kem s LEU 30 Ca -0.01 -0.29 -0.21 0.00 0.05 0.00 0.00 54.13 53.68 2kem s LEU 30 Cb -0.12 -0.81 -0.05 0.00 -2.05 0.00 0.00 46.19 43.15 2kem s LEU 30 CO -0.03 0.13 0.62 0.00 -0.55 0.00 0.00 176.35 176.51 2kem s TYR 32 N -0.25 3.37 -0.15 0.00 1.13 -1.12 -0.05 117.35 120.29 2kem s TYR 32 Ca 0.32 0.18 -0.04 0.00 -1.41 0.00 0.00 57.07 56.12 2kem s TYR 32 Cb -0.19 -1.70 0.05 0.00 -1.10 0.00 0.00 41.96 39.02 2kem s TYR 32 CO 0.18 0.56 0.07 -2.00 -2.51 0.00 0.00 175.55 171.85 2kem s GLU 33 N -2.40 0.20 0.05 -3.49 2.12 -0.47 -2.34 118.70 112.37 2kem s GLU 33 Ca 0.32 -0.07 0.06 0.00 0.36 0.00 0.00 54.97 55.64 2kem s GLU 33 Cb -0.13 -1.64 -0.02 0.00 0.26 0.00 0.00 34.13 32.60 2kem s GLU 33 CO 0.24 -0.59 -0.16 0.14 -0.54 0.00 0.00 175.26 174.35 2kem s VAL 34 N 2.08 1.28 0.42 3.70 -7.23 -1.22 0.05 120.40 119.48 2kem s VAL 34 Ca 0.02 -1.15 0.07 0.00 -1.81 0.00 0.00 61.98 59.12 2kem s VAL 34 Cb -0.15 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 2kem s VAL 34 CO -0.08 -0.00 0.22 -1.61 -0.31 0.00 0.00 175.10 173.32 2kem s GLU 35 N -1.33 2.28 -0.32 4.82 2.02 -0.96 -4.70 118.70 120.51 2kem s GLU 35 Ca 0.03 -1.81 -0.11 0.00 0.02 0.00 0.00 54.97 53.10 2kem s GLU 35 Cb -0.09 -2.04 -0.01 0.00 0.10 0.00 0.00 34.13 32.09 2kem s GLU 35 CO 0.02 -0.15 0.18 1.03 0.02 0.00 0.00 175.26 176.35 2kem s ARG 36 N -3.96 3.39 -0.26 1.61 0.52 -0.26 -1.06 118.95 118.93 2kem s ARG 36 Ca 0.41 -0.69 -0.16 0.00 -0.52 0.00 0.00 55.73 54.78 2kem s ARG 36 Cb 0.02 -3.64 -0.04 0.00 0.52 0.00 0.00 34.95 31.82 2kem s ARG 36 CO 0.23 -0.42 0.40 -1.64 0.02 0.00 0.00 175.30 173.90 2kem s MET 37 N 1.65 4.05 -0.63 3.54 -1.94 0.24 0.90 119.30 127.11 2kem s MET 37 Ca 0.05 0.12 0.05 0.00 -1.71 0.00 0.00 55.69 54.20 2kem s MET 37 Cb -0.17 -3.64 0.31 0.00 2.01 0.00 0.00 34.83 33.34 2kem s MET 37 CO 0.08 -0.26 0.92 0.72 -0.01 0.00 0.00 175.02 176.46 2kem n HIS 38 N 5.26 3.85 -3.70 -0.03 8.25 -1.01 -3.81 115.22 124.04 2kem n HIS 38 Ca -0.08 -3.98 -0.23 0.00 -0.26 0.00 0.00 57.72 53.18 2kem n HIS 38 Cb 0.51 -0.55 0.04 0.00 1.12 0.00 0.00 29.99 31.11 2kem n HIS 38 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2kem n ASN 39 N 0.17 -2.48 0.00 0.41 3.02 -1.26 -3.32 115.26 111.80 2kem n ASN 39 Ca 0.31 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 2kem n ASN 39 Cb 0.39 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.30 2kem n ASN 39 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2kem n ASP 40 N -3.02 0.00 -4.91 6.41 -0.08 -1.26 -5.13 116.55 108.56 2kem n ASP 40 Ca -0.20 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.81 2kem n ASP 40 Cb 0.64 0.00 0.02 0.00 2.34 0.00 0.00 41.12 44.12 2kem n ASP 40 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2kem s THR 41 N -1.04 4.12 -0.43 5.18 2.01 -1.21 -5.07 115.64 119.20 2kem s THR 41 Ca 0.00 0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.18 2kem s THR 41 Cb 0.00 -3.61 0.18 0.00 0.01 0.00 0.00 72.50 69.08 2kem s THR 41 CO 0.00 -0.63 0.56 -1.66 -0.69 0.00 0.00 174.62 172.20 2kem s TRP 42 N -2.92 -1.07 -0.93 4.92 1.48 -0.79 -2.40 118.94 117.23 2kem s TRP 42 Ca 0.52 -0.48 -0.23 0.00 -1.06 0.00 0.00 56.10 54.84 2kem s TRP 42 Cb -0.10 0.01 0.06 0.00 -1.16 0.00 0.00 33.47 32.28 2kem s TRP 42 CO 0.46 -1.12 1.35 0.08 -4.06 0.00 0.00 176.95 173.66 2kem s VAL 43 N 1.32 3.99 0.13 -0.66 1.01 0.26 -4.57 120.40 121.89 2kem s VAL 43 Ca 0.21 -0.59 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 2kem s VAL 43 Cb -0.05 -4.98 -0.02 0.00 0.00 0.00 0.00 36.38 31.33 2kem s VAL 43 CO -0.06 -1.85 1.65 0.07 0.00 0.00 0.00 175.10 174.91 2kem h LYS 44 N 9.72 -0.23 0.00 2.72 2.10 -1.87 -0.68 116.57 128.33 2kem h LYS 44 Ca 0.07 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 2kem h LYS 44 Cb 1.02 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 2kem h LYS 44 CO 1.35 -0.15 0.00 -0.11 -2.00 0.00 0.00 179.45 178.54 2kem n LEU 45 N -5.33 0.00 -4.77 7.07 0.00 -1.26 -4.52 117.00 108.20 2kem n LEU 45 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 56.01 55.60 2kem n LEU 45 Cb 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.66 2kem n LEU 45 CO 0.21 0.00 0.90 0.21 0.00 0.00 0.00 177.39 178.70 2kem s ASN 46 N -4.00 6.10 -0.81 1.96 2.47 -1.26 -4.98 114.94 114.42 2kem s ASN 46 Ca 0.00 2.50 -0.05 0.00 0.42 0.00 0.00 52.86 55.73 2kem s ASN 46 Cb 0.00 -2.62 0.21 0.00 -1.45 0.00 0.00 41.25 37.38 2kem s ASN 46 CO 0.00 -0.98 0.69 -1.58 -3.72 0.00 0.00 177.10 171.51 2kem s GLN 47 N -2.54 3.19 0.00 0.43 0.74 -1.26 -4.77 119.66 115.45 2kem s GLN 47 Ca 0.62 -2.85 0.00 0.00 0.05 0.00 0.00 55.36 53.18 2kem s GLN 47 Cb -0.34 -4.03 0.00 0.00 1.10 0.00 0.00 33.01 29.74 2kem s GLN 47 CO 0.42 -1.24 0.00 2.89 -0.55 0.00 0.00 175.29 176.81 2kem n ARG 48 N 3.09 -0.10 -0.00 1.67 -4.01 -1.26 -4.91 116.66 111.14 2kem n ARG 48 Ca 0.15 0.09 0.10 0.00 -1.04 0.00 0.00 57.85 57.16 2kem n ARG 48 Cb 0.39 -0.43 -0.12 0.00 -3.04 0.00 0.00 32.46 29.26 2kem n ARG 48 CO 0.00 0.00 0.00 2.89 -3.04 0.00 0.00 177.63 177.48 2kem n ARG 49 N 1.94 0.17 0.00 2.89 -4.01 -0.99 -4.96 116.66 111.70 2kem n ARG 49 Ca 0.00 -0.05 0.00 0.00 -1.04 0.00 0.00 57.85 56.76 2kem n ARG 49 Cb 0.00 -1.51 0.00 0.00 -3.04 0.00 0.00 32.46 27.91 2kem n ARG 49 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2kem n GLY 50 N 1.44 1.98 0.00 2.89 0.00 -1.09 -4.86 105.19 105.54 2kem n GLY 50 Ca 0.02 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.92 2kem n GLY 50 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2kem n PHE 51 N -0.10 -0.00 -1.98 1.61 7.35 -0.48 -2.78 117.46 121.08 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 -3.01 -2.13 7.99 -1.20 -4.71 117.00 113.94 2kem n LEU 52 Ca 0.00 -1.43 -0.01 0.00 -0.01 0.00 0.00 56.01 54.56 2kem n LEU 52 Cb 0.00 -0.84 -0.00 0.00 -0.11 0.00 0.00 43.42 42.47 2kem n LEU 52 CO 0.00 -1.26 0.15 0.00 -1.51 0.00 0.00 177.39 174.76 2kem s ALA 53 N -3.80 -2.54 -0.00 -1.18 0.00 -1.26 -1.61 121.76 111.37 2kem s ALA 53 Ca 0.66 0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.79 2kem s ALA 53 Cb -0.02 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 2kem s ALA 53 CO 0.46 -2.26 -0.19 -0.80 0.00 0.00 0.00 175.76 172.96 2kem s ASN 54 N 1.50 3.66 0.01 0.00 0.02 -1.03 -4.77 114.94 114.33 2kem s ASN 54 Ca 0.21 -0.37 0.08 0.00 -1.02 0.00 0.00 52.86 51.76 2kem s ASN 54 Cb -0.01 -0.60 -0.02 0.00 0.02 0.00 0.00 41.25 40.63 2kem s ASN 54 CO -0.07 0.30 -0.25 0.00 0.02 0.00 0.00 177.10 177.10 2kem s GLN 55 N -1.00 2.01 0.89 -0.60 -2.07 -1.22 -0.94 119.66 116.73 2kem s GLN 55 Ca 0.12 -0.99 -0.11 0.00 -1.82 0.00 0.00 55.36 52.56 2kem s GLN 55 Cb -0.10 -2.04 0.17 0.00 -1.09 0.00 0.00 33.01 29.94 2kem s GLN 55 CO 0.02 0.54 0.39 0.00 -1.32 0.00 0.00 175.29 174.92 2kem n ALA 56 N 2.12 -2.37 -1.99 2.60 0.00 -1.26 -4.57 120.51 115.04 2kem n ALA 56 Ca -0.16 -0.69 -0.30 0.00 0.00 0.00 0.00 53.44 52.28 2kem n ALA 56 Cb 0.51 -0.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.90 2kem n ALA 56 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kem s PRO 57 N -3.32 3.64 -0.09 0.00 0.04 -1.26 -4.85 135.00 129.16 2kem s PRO 57 Ca 0.30 0.61 0.07 0.00 0.04 0.00 0.00 61.00 62.02 2kem s PRO 57 Cb -0.05 -2.19 -0.10 0.00 0.04 0.00 0.00 34.50 32.20 2kem s PRO 57 CO 0.25 -0.40 0.01 0.72 0.04 0.00 0.00 177.00 177.62 2kem n HIS 58 N -2.39 0.00 -3.33 0.56 8.25 -1.26 -5.01 115.22 112.04 2kem n HIS 58 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2kem n HIS 58 Cb 0.54 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 -2.40 3.34 -1.83 -0.41 4.81 -1.26 -5.05 118.16 115.36 2kem n LYS 59 Ca -0.15 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 56.95 2kem n LYS 59 Cb 0.77 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.86 2kem n LYS 59 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2kem n HIS 60 N -0.00 3.10 0.00 5.64 8.25 -1.26 -4.69 115.22 126.26 2kem n HIS 60 Ca 0.00 -2.67 0.00 0.00 -0.26 0.00 0.00 57.72 54.79 2kem n HIS 60 Cb 0.00 -0.99 0.00 0.00 1.12 0.00 0.00 29.99 30.12 2kem n HIS 60 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kem n GLY 61 N -0.68 0.68 0.09 -1.41 0.00 -1.26 -4.89 105.19 97.72 2kem n GLY 61 Ca 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.41 2kem n GLY 61 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2kem h PHE 62 N 0.00 0.00 -4.47 1.61 0.04 -2.04 -3.50 116.94 108.58 2kem h PHE 62 Ca 0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 2kem h PHE 62 Cb 0.00 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.18 2kem h PHE 62 CO 0.00 0.87 -0.12 -0.11 -0.60 0.00 0.00 178.31 178.35 2kem n LEU 63 N -4.54 -4.80 -0.12 1.54 0.00 -1.26 -5.00 117.00 102.83 2kem n LEU 63 Ca -0.20 -0.13 -0.15 0.00 0.00 0.00 0.00 56.01 55.53 2kem n LEU 63 Cb 0.48 -2.37 -0.12 0.00 0.00 0.00 0.00 43.42 41.41 2kem n LEU 63 CO 0.17 -0.52 -1.26 -0.62 0.00 0.00 0.00 177.39 175.15 2kem n GLU 64 N -1.73 0.67 -3.47 1.96 4.71 -1.26 -5.04 120.64 116.49 2kem n GLU 64 Ca -0.01 0.11 -0.23 0.00 -0.01 0.00 0.00 57.16 57.02 2kem n GLU 64 Cb 0.52 -1.49 0.06 0.00 -1.01 0.00 0.00 31.44 29.51 2kem n GLU 64 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kem n GLY 65 N 2.21 -1.03 2.85 0.62 0.00 -1.26 -4.98 105.19 103.60 2kem n GLY 65 Ca -0.41 0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.19 1.10 0.50 1.61 1.70 -1.26 -4.86 118.95 112.55 2kem s ARG 66 Ca 0.44 -0.10 0.04 0.00 -0.47 0.00 0.00 55.73 55.64 2kem s ARG 66 Cb -0.10 -1.27 0.02 0.00 -0.57 0.00 0.00 34.95 33.03 2kem s ARG 66 CO 0.80 -0.26 0.70 -1.01 -1.08 0.00 0.00 175.30 174.45 2kem s HIS 67 N 1.71 2.83 0.50 5.89 3.76 -1.24 -3.37 115.29 125.37 2kem s HIS 67 Ca 0.03 -0.17 0.38 0.00 -0.15 0.00 0.00 55.06 55.16 2kem s HIS 67 Cb -0.13 -2.61 1.55 0.00 1.11 0.00 0.00 32.58 32.51 2kem s HIS 67 CO -0.06 -0.70 1.64 0.00 -0.85 0.00 0.00 174.74 174.77 2kem h ALA 68 N 0.29 3.21 -0.06 -1.40 0.00 -1.23 1.40 119.26 121.46 2kem h ALA 68 Ca -0.41 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2kem h ALA 68 Cb 1.29 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 2kem h ALA 68 CO 0.49 -1.76 0.04 0.93 0.00 0.00 0.00 179.25 178.95 2kem h GLU 69 N 0.05 0.08 0.00 0.00 3.07 -1.91 0.17 114.58 116.04 2kem h GLU 69 Ca 0.82 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 59.61 2kem h GLU 69 Cb 2.94 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 30.83 2kem h GLU 69 CO -0.20 0.09 -0.31 -0.07 -1.40 0.00 0.00 179.01 177.13 2kem h LEU 70 N 0.05 0.00 -1.28 1.33 4.07 0.14 -0.61 115.31 119.00 2kem h LEU 70 Ca 0.02 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 2kem h LEU 70 Cb 0.03 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 2kem h LEU 70 CO -0.00 0.31 -0.04 0.00 -1.08 0.00 0.00 178.44 177.62 2kem h PHE 72 N 0.42 0.81 -0.10 0.00 3.04 0.84 -1.21 116.94 120.74 2kem h PHE 72 Ca 0.09 -0.15 0.03 0.00 3.98 0.00 0.00 57.97 61.92 2kem h PHE 72 Cb 0.34 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 38.64 2kem h PHE 72 CO 0.01 0.83 0.08 -0.07 -2.02 0.00 0.00 178.31 177.14 2kem h LEU 73 N 0.66 0.00 0.03 0.59 4.07 -0.40 -0.17 115.31 120.09 2kem h LEU 73 Ca 0.11 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.80 2kem h LEU 73 Cb 0.61 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.36 2kem h LEU 73 CO 0.04 0.00 -1.16 -0.78 -1.08 0.00 0.00 178.44 175.46 2kem h ASP 74 N 0.00 0.52 -0.85 -0.43 3.58 -0.71 -3.26 116.42 115.27 2kem h ASP 74 Ca 0.05 -0.50 0.04 0.00 0.42 0.00 0.00 57.03 57.04 2kem h ASP 74 Cb 0.20 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 41.04 2kem h ASP 74 CO -0.00 1.35 0.56 -0.37 -2.88 0.00 0.00 179.24 177.90 2kem h VAL 75 N 0.14 1.11 0.23 2.25 -1.51 -0.21 -2.87 116.25 115.40 2kem h VAL 75 Ca -0.13 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 2kem h VAL 75 Cb 1.85 -0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 30.97 2kem h VAL 75 CO 0.20 0.19 -0.47 0.40 -1.23 0.00 0.00 177.57 176.66 2kem h ILE 76 N 1.03 0.00 -0.12 7.19 1.08 -1.49 2.26 117.51 127.45 2kem h ILE 76 Ca 0.35 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.82 2kem h ILE 76 Cb 0.09 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.83 2kem h ILE 76 CO -0.11 0.00 0.08 1.55 -0.69 0.00 0.00 178.15 178.98 2kem h PRO 77 N -0.76 0.16 0.15 2.37 0.13 -1.66 -1.51 132.00 130.88 2kem h PRO 77 Ca -0.02 -0.01 -0.32 0.00 -0.87 0.00 0.00 66.00 64.77 2kem h PRO 77 Cb 0.72 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.82 2kem h PRO 77 CO -0.19 0.10 -1.59 0.35 -0.23 0.00 0.00 178.00 176.45 2kem h PHE 78 N 0.16 0.59 -0.29 1.56 3.04 -1.26 -3.27 116.94 117.48 2kem h PHE 78 Ca 0.04 -0.43 0.08 0.00 3.98 0.00 0.00 57.97 61.65 2kem h PHE 78 Cb -0.02 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.46 2kem h PHE 78 CO 0.00 1.49 0.26 -1.49 -2.02 0.00 0.00 178.31 176.55 2kem h TRP 79 N 0.09 0.00 -0.29 0.41 4.06 0.44 -3.44 115.95 117.22 2kem h TRP 79 Ca -0.27 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.55 2kem h TRP 79 Cb 2.06 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 30.17 2kem h TRP 79 CO 0.08 0.00 -0.11 1.63 -3.56 0.00 0.00 178.44 176.48 2kem n LYS 80 N -4.02 -0.43 -1.69 0.49 4.76 -0.65 -4.82 118.16 111.79 2kem n LYS 80 Ca 0.04 0.72 -0.57 0.00 -2.87 0.00 0.00 58.31 55.62 2kem n LYS 80 Cb 0.41 -4.48 -0.07 0.00 -1.84 0.00 0.00 35.03 29.05 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 -0.70 2.13 0.00 -0.35 -0.00 -0.72 0.23 117.00 117.59 2kem n LEU 81 Ca -0.06 1.09 0.00 0.00 -0.00 0.00 0.00 56.01 57.04 2kem n LEU 81 Cb 0.20 -1.12 0.00 0.00 -0.00 0.00 0.00 43.42 42.50 2kem n LEU 81 CO 0.09 -0.59 0.00 -0.67 -0.00 0.00 0.00 177.39 176.22 2kem n ASP 82 N 4.74 0.00 -0.18 1.96 2.03 0.11 -4.48 116.55 120.73 2kem n ASP 82 Ca 0.25 0.00 0.29 0.00 0.52 0.00 0.00 54.79 55.86 2kem n ASP 82 Cb 0.12 0.00 0.73 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 -3.05 115.31 107.70 2kem h LEU 83 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 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 -1.14 0.47 -0.00 0.00 0.00 178.44 177.77 2kem n ASP 84 N -4.18 3.24 -3.64 0.17 9.92 0.14 -5.08 116.55 117.11 2kem n ASP 84 Ca 0.19 -0.01 -0.05 0.00 -0.53 0.00 0.00 54.79 54.39 2kem n ASP 84 Cb 1.00 -0.05 -0.07 0.00 -0.64 0.00 0.00 41.12 41.36 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 -2.05 0.45 -0.25 -1.24 0.00 -1.11 -5.04 119.66 110.42 2kem s GLN 85 Ca -0.03 0.68 -0.22 0.00 -0.00 0.00 0.00 55.36 55.79 2kem s GLN 85 Cb 0.01 0.14 -0.01 0.00 0.00 0.00 0.00 33.01 33.15 2kem s GLN 85 CO 0.06 -0.08 0.71 0.34 0.00 0.00 0.00 175.29 176.31 2kem s ASP 86 N 0.96 6.68 0.03 12.60 2.15 -1.25 0.08 116.67 137.92 2kem s ASP 86 Ca -0.05 0.83 0.01 0.00 0.43 0.00 0.00 52.55 53.77 2kem s ASP 86 Cb -0.04 -2.37 -0.04 0.00 -0.30 0.00 0.00 42.92 40.16 2kem s ASP 86 CO -0.12 -0.43 0.10 -0.31 -0.17 0.00 0.00 175.17 174.24 2kem s TYR 87 N 2.63 3.29 -0.85 -5.34 1.51 -1.26 0.82 117.35 118.15 2kem s TYR 87 Ca 0.29 0.18 -0.18 0.00 -1.01 0.00 0.00 57.07 56.36 2kem s TYR 87 Cb -0.15 -1.71 0.15 0.00 -0.11 0.00 0.00 41.96 40.14 2kem s TYR 87 CO 0.08 0.55 0.97 0.50 -1.11 0.00 0.00 175.55 176.54 2kem s ARG 88 N -2.01 3.52 0.02 -0.62 3.52 -0.23 -2.55 118.95 120.61 2kem s ARG 88 Ca 0.26 -1.88 -0.28 0.00 -0.13 0.00 0.00 55.73 53.70 2kem s ARG 88 Cb -0.12 -4.67 -0.04 0.00 -1.56 0.00 0.00 34.95 28.55 2kem s ARG 88 CO 0.18 -1.61 0.88 0.08 -0.81 0.00 0.00 175.30 174.02 2kem s VAL 89 N 2.01 4.79 -0.33 7.11 1.01 0.37 -2.27 120.40 133.08 2kem s VAL 89 Ca 0.26 1.86 -0.01 0.00 0.00 0.00 0.00 61.98 64.08 2kem s VAL 89 Cb -0.09 -4.23 0.12 0.00 0.00 0.00 0.00 36.38 32.18 2kem s VAL 89 CO -0.07 0.25 0.18 0.42 0.00 0.00 0.00 175.10 175.88 2kem s THR 90 N 0.53 0.19 0.29 3.92 -4.23 0.11 -0.74 115.64 115.70 2kem s THR 90 Ca 0.45 -1.39 -0.06 0.00 -1.18 0.00 0.00 61.69 59.51 2kem s THR 90 Cb -0.21 -1.15 -0.06 0.00 1.34 0.00 0.00 72.50 72.42 2kem s THR 90 CO 0.26 -0.87 0.57 0.00 -0.54 0.00 0.00 174.62 174.04 2kem s PHE 92 N -2.06 2.68 0.41 0.00 0.40 0.93 -1.24 117.98 119.09 2kem s PHE 92 Ca 0.45 -2.35 0.08 0.00 -0.60 0.00 0.00 56.93 54.50 2kem s PHE 92 Cb -0.11 -2.29 0.00 0.00 0.51 0.00 0.00 43.02 41.13 2kem s PHE 92 CO 0.29 -0.91 0.53 0.99 0.70 0.00 0.00 175.22 176.81 2kem s THR 93 N 1.24 3.12 0.20 0.64 2.01 -1.08 -2.06 115.64 119.70 2kem s THR 93 Ca 0.11 -1.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.04 2kem s THR 93 Cb -0.18 -3.06 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 2kem s THR 93 CO -0.17 -0.03 1.52 0.77 -0.69 0.00 0.00 174.62 176.02 2kem h SER 94 N 0.74 0.54 -3.61 3.53 4.64 -1.84 -3.33 113.55 114.20 2kem h SER 94 Ca -0.41 -0.29 -0.19 0.00 -0.47 0.00 0.00 61.79 60.43 2kem h SER 94 Cb 1.27 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 63.17 2kem h SER 94 CO 0.48 0.99 0.02 -2.67 -0.87 0.00 0.00 176.83 174.77 2kem n TRP 95 N -3.94 -1.82 -0.46 4.77 4.27 -1.26 -2.85 117.44 116.15 2kem n TRP 95 Ca -0.03 -2.17 -0.23 0.00 -3.89 0.00 0.00 57.50 51.17 2kem n TRP 95 Cb 0.61 0.70 0.19 0.00 -1.36 0.00 0.00 31.31 31.45 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 -1.58 -3.18 0.00 -0.67 3.41 -1.15 -4.73 113.62 105.71 2kem n SER 96 Ca -0.03 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 2kem n SER 96 Cb 0.59 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 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 -2.98 0.00 0.00 4.33 -0.04 -1.26 -4.90 135.00 130.15 2kem n PRO 97 Ca 0.07 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2kem n PRO 97 Cb 0.45 -0.60 0.00 0.00 -0.04 0.00 0.00 33.50 33.31 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 0.74 -0.89 0.00 -5.15 -1.83 0.10 116.94 109.91 2kem h PHE 99 Ca 0.00 0.03 0.06 0.00 -0.20 0.00 0.00 57.97 57.86 2kem h PHE 99 Cb 0.00 -0.23 -0.06 0.00 0.22 0.00 0.00 35.95 35.88 2kem h PHE 99 CO 0.00 0.34 0.56 0.77 -2.00 0.00 0.00 178.31 177.97 2kem h SER 100 N 0.72 0.88 0.68 -0.68 0.02 -1.95 0.15 113.55 113.38 2kem h SER 100 Ca 0.33 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.20 2kem h SER 100 Cb 0.24 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2kem h SER 100 CO -0.21 0.56 -0.46 0.00 -1.14 0.00 0.00 176.83 175.59 2kem h ALA 102 N 1.54 0.99 -0.23 0.00 0.00 0.18 0.70 119.26 122.44 2kem h ALA 102 Ca -0.00 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2kem h ALA 102 Cb 0.93 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2kem h ALA 102 CO 0.06 -0.02 -0.09 1.96 0.00 0.00 0.00 179.25 181.16 2kem h GLN 103 N 0.63 0.46 0.47 0.00 1.08 -1.16 -1.00 115.11 115.60 2kem h GLN 103 Ca 0.35 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.33 2kem h GLN 103 Cb 0.35 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 2kem h GLN 103 CO -0.26 0.72 -0.23 0.93 -0.95 0.00 0.00 178.83 179.05 2kem h GLU 104 N 0.18 -0.61 0.00 1.46 3.07 -1.07 -0.61 114.58 116.99 2kem h GLU 104 Ca 0.05 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 2kem h GLU 104 Cb 0.57 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 2kem h GLU 104 CO 0.03 -0.35 0.00 -1.33 -1.40 0.00 0.00 179.01 175.96 2kem n MET 105 N -5.32 0.11 -0.04 2.33 2.81 0.24 -2.43 117.12 114.82 2kem n MET 105 Ca -0.11 0.44 -0.02 0.00 -1.81 0.00 0.00 57.70 56.20 2kem n MET 105 Cb 0.29 -1.76 -0.01 0.00 -0.71 0.00 0.00 33.22 31.04 2kem n MET 105 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kem h ALA 106 N 2.23 0.00 -1.20 3.04 0.00 -0.70 -0.81 119.26 121.81 2kem h ALA 106 Ca 0.00 -0.25 0.35 0.00 0.00 0.00 0.00 54.91 55.01 2kem h ALA 106 Cb 0.21 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2kem h ALA 106 CO 0.00 0.18 0.95 1.57 0.00 0.00 0.00 179.25 181.95 2kem h LYS 107 N -0.57 0.00 0.00 0.00 2.10 -1.12 2.10 116.57 119.08 2kem h LYS 107 Ca 0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.48 2kem h LYS 107 Cb 0.18 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.49 2kem h LYS 107 CO 0.00 0.00 -1.26 0.34 -2.00 0.00 0.00 179.45 176.53 2kem n PHE 108 N -3.95 0.60 -0.05 0.07 7.35 -1.02 -3.37 117.46 117.10 2kem n PHE 108 Ca 0.26 0.26 -0.14 0.00 -0.76 0.00 0.00 57.45 57.07 2kem n PHE 108 Cb 1.34 -0.88 -0.14 0.00 0.35 0.00 0.00 39.48 40.15 2kem n PHE 108 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 2kem n ILE 109 N -4.46 1.58 -0.06 -2.13 -0.00 -0.34 -2.08 119.36 111.88 2kem n ILE 109 Ca -0.26 -0.74 -0.04 0.00 -0.00 0.00 0.00 62.75 61.71 2kem n ILE 109 Cb 0.57 -1.15 -0.04 0.00 -0.00 0.00 0.00 39.64 39.02 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 0.00 4.38 0.87 0.30 0.94 113.55 120.06 2kem h SER 110 Ca -0.43 -0.30 -0.15 0.00 -1.23 0.00 0.00 61.79 59.67 2kem h SER 110 Cb 2.06 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.01 2kem h SER 110 CO 0.04 0.66 -0.51 0.50 -0.53 0.00 0.00 176.83 176.99 2kem h LYS 111 N -1.00 0.57 0.00 2.24 1.63 0.21 -3.37 116.57 116.84 2kem h LYS 111 Ca -0.00 -0.34 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 2kem h LYS 111 Cb 0.31 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2kem h LYS 111 CO -0.00 0.94 -0.68 -1.71 -3.45 0.00 0.00 179.45 174.55 2kem n ASN 112 N -3.98 1.70 -2.23 4.20 4.05 -1.21 -5.00 115.26 112.80 2kem n ASN 112 Ca -0.03 0.46 0.00 0.00 0.45 0.00 0.00 54.58 55.46 2kem n ASN 112 Cb 0.58 -0.78 0.00 0.00 1.23 0.00 0.00 39.78 40.81 2kem n ASN 112 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2kem n LYS 113 N -4.35 -5.38 -0.58 1.20 5.02 0.33 -4.96 118.16 109.44 2kem n LYS 113 Ca -0.09 3.84 -0.02 0.00 -2.02 0.00 0.00 58.31 60.01 2kem n LYS 113 Cb 0.35 -4.47 -0.02 0.00 -0.02 0.00 0.00 35.03 30.87 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 1.93 0.00 -3.47 2.13 1.44 -1.26 -5.04 115.22 110.95 2kem n HIS 114 Ca 0.00 -0.13 -0.10 0.00 -2.01 0.00 0.00 57.72 55.48 2kem n HIS 114 Cb 0.00 0.30 -0.02 0.00 0.12 0.00 0.00 29.99 30.39 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 -4.40 120.40 115.23 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 0.10 -0.55 -3.33 0.00 0.00 175.10 171.32 2kem s SER 116 N -2.65 5.60 -0.14 3.54 0.15 -1.06 -4.96 113.70 114.19 2kem s SER 116 Ca 0.03 -0.01 -0.00 0.00 0.70 0.00 0.00 55.95 56.66 2kem s SER 116 Cb -0.01 -1.99 0.03 0.00 -1.71 0.00 0.00 66.02 62.34 2kem s SER 116 CO -0.11 0.06 -0.07 -1.48 1.20 0.00 0.00 173.24 172.85 2kem s LEU 117 N 1.04 1.39 -0.45 3.45 -0.00 -1.11 0.14 118.68 123.14 2kem s LEU 117 Ca 0.05 -0.47 0.02 0.00 -0.00 0.00 0.00 54.13 53.73 2kem s LEU 117 Cb -0.14 -0.88 0.13 0.00 -0.00 0.00 0.00 46.19 45.30 2kem s LEU 117 CO 0.03 -0.15 0.24 0.00 -0.00 0.00 0.00 176.35 176.48 2kem s ILE 119 N 0.25 4.85 -0.48 0.00 1.09 -0.47 0.15 121.20 126.59 2kem s ILE 119 Ca 0.17 -1.20 -0.27 0.00 -1.10 0.00 0.00 60.65 58.25 2kem s ILE 119 Cb -0.25 -4.56 0.03 0.00 -1.06 0.00 0.00 42.46 36.62 2kem s ILE 119 CO 0.00 -1.22 1.04 -1.59 -0.10 0.00 0.00 174.94 173.08 2kem s LYS 120 N 2.53 3.62 -0.17 2.79 0.00 -0.37 -1.09 119.74 127.05 2kem s LYS 120 Ca 0.17 0.35 -0.08 0.00 0.00 0.00 0.00 55.97 56.41 2kem s LYS 120 Cb -0.19 -3.92 -0.04 0.00 0.00 0.00 0.00 37.83 33.68 2kem s LYS 120 CO 0.02 -1.33 0.09 -0.08 0.00 0.00 0.00 175.35 174.06 2kem s THR 121 N 4.15 5.07 0.35 3.79 -1.32 0.27 -2.63 115.64 125.30 2kem s THR 121 Ca 0.42 0.06 0.14 0.00 -1.21 0.00 0.00 61.69 61.11 2kem s THR 121 Cb -0.09 -3.27 0.10 0.00 -1.51 0.00 0.00 72.50 67.74 2kem s THR 121 CO 0.29 0.50 1.82 0.00 -2.21 0.00 0.00 174.62 175.02 2kem h ALA 122 N 6.25 1.31 -2.44 11.08 0.00 -1.64 0.32 119.26 134.13 2kem h ALA 122 Ca -0.43 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.08 2kem h ALA 122 Cb 1.17 -0.06 -0.26 0.00 0.00 0.00 0.00 17.79 18.64 2kem h ALA 122 CO 0.69 0.46 -0.33 0.50 0.00 0.00 0.00 179.25 180.57 2kem s ARG 123 N -4.09 0.36 -0.96 0.00 3.52 -1.24 -4.58 118.95 111.97 2kem s ARG 123 Ca -0.02 1.09 -0.24 0.00 -0.13 0.00 0.00 55.73 56.43 2kem s ARG 123 Cb 0.14 0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 33.89 2kem s ARG 123 CO 0.71 -0.24 1.87 0.42 -0.81 0.00 0.00 175.30 177.26 2kem s ILE 124 N 2.60 3.54 -0.05 4.11 1.01 -1.26 -2.93 121.20 128.22 2kem s ILE 124 Ca -0.03 -0.52 -0.14 0.00 0.00 0.00 0.00 60.65 59.97 2kem s ILE 124 Cb -0.12 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 2kem s ILE 124 CO -0.14 -1.11 0.36 -0.47 0.00 0.00 0.00 174.94 173.58 2kem s TYR 125 N 9.36 3.66 -0.22 3.97 5.04 -1.26 -4.83 117.35 133.06 2kem s TYR 125 Ca 0.66 0.86 -0.18 0.00 -2.44 0.00 0.00 57.07 55.98 2kem s TYR 125 Cb -0.05 -2.26 -0.03 0.00 0.35 0.00 0.00 41.96 39.97 2kem s TYR 125 CO -0.00 0.57 0.49 0.16 -1.34 0.00 0.00 175.55 175.43 2kem s ASP 126 N -0.75 6.48 0.11 4.32 1.47 -1.26 -4.33 116.67 122.70 2kem s ASP 126 Ca 0.22 0.57 -0.25 0.00 1.18 0.00 0.00 52.55 54.27 2kem s ASP 126 Cb -0.15 -2.27 -0.08 0.00 -0.34 0.00 0.00 42.92 40.07 2kem s ASP 126 CO 0.10 -0.20 1.67 -0.78 0.68 0.00 0.00 175.17 176.65 2kem h ASP 127 N 7.67 -0.46 0.00 2.11 1.82 -1.92 -3.44 116.42 122.20 2kem h ASP 127 Ca -0.32 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.38 2kem h ASP 127 Cb 1.15 0.18 0.00 0.00 0.68 0.00 0.00 39.33 41.34 2kem h ASP 127 CO 0.72 -0.23 0.00 1.67 -1.61 0.00 0.00 179.24 179.79 2kem n GLN 128 N -5.29 0.00 0.00 0.28 -0.06 -1.26 -5.02 117.38 106.03 2kem n GLN 128 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.94 2kem n GLN 128 Cb 0.21 -0.07 0.00 0.00 -4.06 0.00 0.00 30.24 26.32 2kem n GLN 128 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2kem n GLY 129 N 0.62 0.03 3.46 1.69 0.00 -1.26 -5.06 105.19 104.67 2kem n GLY 129 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.42 0.39 0.36 1.61 0.52 -1.26 -4.96 118.95 115.18 2kem s ARG 130 Ca 0.00 0.95 0.19 0.00 -0.52 0.00 0.00 55.73 56.36 2kem s ARG 130 Cb 0.00 0.57 0.45 0.00 0.52 0.00 0.00 34.95 36.50 2kem s ARG 130 CO 0.00 -0.15 1.62 0.00 0.02 0.00 0.00 175.30 176.80 2kem h ALA 131 N 7.68 0.86 -1.12 2.13 0.00 -1.89 -3.25 119.26 123.67 2kem h ALA 131 Ca -0.16 -0.32 0.32 0.00 0.00 0.00 0.00 54.91 54.75 2kem h ALA 131 Cb 1.11 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 2kem h ALA 131 CO 0.09 0.44 0.71 1.96 0.00 0.00 0.00 179.25 182.45 2kem h GLN 132 N 0.00 0.29 0.01 0.00 4.20 -1.88 0.83 115.11 118.55 2kem h GLN 132 Ca -0.00 -0.02 -0.20 0.00 0.06 0.00 0.00 58.65 58.49 2kem h GLN 132 Cb 1.08 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 2kem h GLN 132 CO 0.05 0.19 -0.90 1.05 -0.67 0.00 0.00 178.83 178.55 2kem h GLU 133 N 0.30 0.11 -0.27 1.46 4.11 -1.93 -1.99 114.58 116.38 2kem h GLU 133 Ca 0.67 -0.13 0.03 0.00 0.07 0.00 0.00 59.36 59.99 2kem h GLU 133 Cb 1.82 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 31.08 2kem h GLU 133 CO -0.35 0.93 0.07 0.78 0.07 0.00 0.00 179.01 180.52 2kem h GLY 134 N 2.19 0.32 2.00 1.06 0.00 0.52 -2.00 103.07 107.15 2kem h GLY 134 Ca -0.03 -0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 2kem h GLY 134 CO 0.13 0.01 -0.50 1.41 0.00 0.00 0.00 176.54 177.59 2kem h LEU 135 N 0.18 0.00 0.07 3.11 4.07 -1.53 -2.86 115.31 118.36 2kem h LEU 135 Ca 0.12 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.09 2kem h LEU 135 Cb 0.10 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 2kem h LEU 135 CO -0.14 0.50 -0.32 0.08 -1.08 0.00 0.00 178.44 177.48 2kem h ARG 136 N 0.00 -0.44 -0.16 1.13 0.11 -0.61 1.76 114.38 116.16 2kem h ARG 136 Ca -0.01 0.03 -0.15 0.00 0.10 0.00 0.00 59.98 59.96 2kem h ARG 136 Cb 1.30 0.10 -0.01 0.00 1.11 0.00 0.00 29.97 32.47 2kem h ARG 136 CO 0.07 -0.30 -0.52 1.15 0.10 0.00 0.00 179.97 180.47 2kem h THR 137 N -0.46 1.33 0.11 0.08 2.02 -1.59 -1.94 112.91 112.46 2kem h THR 137 Ca -0.00 -1.76 -0.01 0.00 0.77 0.00 0.00 66.41 65.41 2kem h THR 137 Cb 0.46 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 2kem h THR 137 CO -0.18 0.54 -0.05 -0.07 0.37 0.00 0.00 175.52 176.13 2kem h LEU 138 N 0.35 -0.12 -1.67 2.58 3.38 -1.23 -0.86 115.31 117.74 2kem h LEU 138 Ca 0.01 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.12 2kem h LEU 138 Cb 1.03 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 2kem h LEU 138 CO 0.09 -0.07 0.63 0.00 0.09 0.00 0.00 178.44 179.18 2kem h ALA 139 N -1.89 2.17 0.00 1.53 0.00 1.39 1.49 119.26 123.95 2kem h ALA 139 Ca -0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2kem h ALA 139 Cb 0.11 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2kem h ALA 139 CO 0.02 -0.86 -0.59 0.93 0.00 0.00 0.00 179.25 178.75 2kem h GLU 140 N 0.00 0.00 0.00 0.00 4.39 -1.10 -3.40 114.58 114.47 2kem h GLU 140 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 2kem h GLU 140 Cb 1.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 2kem h GLU 140 CO -0.00 0.59 0.00 0.00 -1.16 0.00 0.00 179.01 178.44 2kem n ALA 141 N -2.28 0.00 0.30 3.43 0.00 0.44 -4.98 120.51 117.41 2kem n ALA 141 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2kem n ALA 141 Cb 0.72 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.43 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 0.37 -2.95 103.07 100.49 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 -2.04 0.00 -1.90 3.60 0.00 0.29 -4.48 120.51 115.98 2kem n ALA 143 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.17 2kem n ALA 143 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 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 2.37 -0.20 0.00 2.20 0.92 0.19 119.74 125.22 2kem s LYS 144 Ca 0.00 0.43 -0.27 0.00 -0.36 0.00 0.00 55.97 55.77 2kem s LYS 144 Cb 0.00 -4.70 -0.00 0.00 -1.51 0.00 0.00 37.83 31.62 2kem s LYS 144 CO 0.00 -3.28 0.91 0.42 -0.36 0.00 0.00 175.35 173.04 2kem s ILE 145 N 10.73 4.80 0.42 5.43 -1.09 -1.26 -1.37 121.20 138.86 2kem s ILE 145 Ca 0.77 1.77 0.07 0.00 -2.23 0.00 0.00 60.65 61.04 2kem s ILE 145 Cb -0.11 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 2kem s ILE 145 CO 0.13 -0.06 0.27 -0.44 -1.23 0.00 0.00 174.94 173.60 2kem s SER 146 N 1.21 4.69 -0.20 3.58 0.01 -0.25 -4.85 113.70 117.90 2kem s SER 146 Ca 0.40 -0.94 -0.18 0.00 1.31 0.00 0.00 55.95 56.53 2kem s SER 146 Cb -0.16 -0.50 -0.03 0.00 0.21 0.00 0.00 66.02 65.54 2kem s SER 146 CO 0.10 -0.60 0.51 -0.63 0.41 0.00 0.00 173.24 173.02 2kem s ILE 147 N -2.55 5.11 -1.27 1.44 1.09 -1.26 0.94 121.20 124.71 2kem s ILE 147 Ca 0.44 0.94 -0.13 0.00 -1.10 0.00 0.00 60.65 60.80 2kem s ILE 147 Cb 0.01 -3.83 0.15 0.00 -1.06 0.00 0.00 42.46 37.72 2kem s ILE 147 CO 0.25 0.19 1.69 0.80 -0.10 0.00 0.00 174.94 177.77 2kem n MET 148 N 4.72 3.40 -1.87 2.79 1.56 0.11 -4.66 117.12 123.18 2kem n MET 148 Ca -0.05 -3.57 -0.08 0.00 -0.27 0.00 0.00 57.70 53.73 2kem n MET 148 Cb 0.50 -3.07 0.02 0.00 2.15 0.00 0.00 33.22 32.82 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 4.40 0.00 -0.24 1.12 -2.24 -1.26 -4.25 114.28 111.81 2kem n THR 149 Ca 0.41 -0.76 0.08 0.00 -2.27 0.00 0.00 64.05 61.50 2kem n THR 149 Cb 0.40 -0.73 0.16 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.41 0.36 0.14 4.78 0.18 -1.26 0.34 117.16 120.29 2kem n TYR 150 Ca 0.05 0.83 -0.12 0.00 1.88 0.00 0.00 57.90 60.54 2kem n TYR 150 Cb 0.23 -0.97 -0.07 0.00 -0.38 0.00 0.00 39.34 38.15 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 -0.33 0.41 9.48 0.02 -1.93 -0.88 113.55 120.31 2kem h SER 151 Ca 0.38 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2kem h SER 151 Cb 0.71 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2kem h SER 151 CO -0.67 0.11 0.00 1.21 -1.14 0.00 0.00 176.83 176.34 2kem n GLU 152 N -5.08 0.17 0.02 3.45 4.07 0.56 -2.56 120.64 121.28 2kem n GLU 152 Ca -0.09 0.52 -0.07 0.00 -0.06 0.00 0.00 57.16 57.46 2kem n GLU 152 Cb 0.27 -1.91 -0.05 0.00 -0.06 0.00 0.00 31.44 29.68 2kem n GLU 152 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 2kem h PHE 153 N 0.00 -0.15 -1.05 4.31 3.57 0.59 0.40 116.94 124.61 2kem h PHE 153 Ca 0.00 -0.00 0.27 0.00 3.53 0.00 0.00 57.97 61.77 2kem h PHE 153 Cb 0.20 0.05 -0.10 0.00 2.79 0.00 0.00 35.95 38.89 2kem h PHE 153 CO 0.00 0.18 0.66 1.57 -2.23 0.00 0.00 178.31 178.50 2kem h LYS 154 N -0.99 0.40 -0.32 1.11 2.10 -0.88 1.50 116.57 119.49 2kem h LYS 154 Ca -0.02 -0.02 -0.16 0.00 -2.00 0.00 0.00 60.65 58.45 2kem h LYS 154 Cb 0.39 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2kem h LYS 154 CO 0.03 0.26 -0.44 1.25 -2.00 0.00 0.00 179.45 178.55 2kem h HIS 155 N 0.41 1.06 0.37 0.07 2.76 -1.54 -2.88 115.15 115.40 2kem h HIS 155 Ca 0.62 -0.35 -0.02 0.00 -2.20 0.00 0.00 60.37 58.42 2kem h HIS 155 Cb 1.53 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 30.28 2kem h HIS 155 CO -0.00 1.17 -0.18 0.00 -1.30 0.00 0.00 177.93 177.62 2kem h TRP 157 N -0.60 -1.51 0.00 0.00 2.91 0.74 0.90 115.95 118.39 2kem h TRP 157 Ca -0.05 0.09 0.00 0.00 1.13 0.00 0.00 58.89 60.06 2kem h TRP 157 Cb 0.44 0.74 0.00 0.00 -0.51 0.00 0.00 29.16 29.83 2kem h TRP 157 CO -0.02 -0.36 0.00 -0.25 -1.03 0.00 0.00 178.44 176.78 2kem n ASP 158 N -4.90 0.00 -0.20 2.65 9.92 -1.09 0.75 116.55 123.68 2kem n ASP 158 Ca -0.01 -0.07 -0.09 0.00 -0.53 0.00 0.00 54.79 54.09 2kem n ASP 158 Cb 0.25 -0.27 0.02 0.00 -0.64 0.00 0.00 41.12 40.48 2kem n ASP 158 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kem h THR 159 N 0.00 1.26 0.00 -3.53 1.03 0.42 -3.39 112.91 108.70 2kem h THR 159 Ca 0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 66.41 65.32 2kem h THR 159 Cb 0.20 0.84 0.00 0.00 -1.07 0.00 0.00 68.15 68.12 2kem h THR 159 CO 0.00 0.39 -0.90 0.33 -0.01 0.00 0.00 175.52 175.33 2kem n PHE 160 N -4.27 0.00 -3.02 0.00 -0.00 -1.03 -4.82 117.46 104.32 2kem n PHE 160 Ca 0.02 0.00 -0.44 0.00 -0.00 0.00 0.00 57.45 57.03 2kem n PHE 160 Cb 0.31 0.01 -0.04 0.00 -0.00 0.00 0.00 39.48 39.76 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 -1.92 4.68 0.22 -2.13 0.11 0.23 -3.49 120.40 118.10 2kem s VAL 161 Ca 0.00 -0.91 -0.07 0.00 -2.93 0.00 0.00 61.98 58.07 2kem s VAL 161 Cb 0.00 -4.58 0.35 0.00 -1.53 0.00 0.00 36.38 30.62 2kem s VAL 161 CO 0.00 -1.27 1.22 0.47 -3.33 0.00 0.00 175.10 172.19 2kem n ASP 162 N 6.70 -0.30 0.00 3.54 9.92 -1.26 -3.16 116.55 132.00 2kem n ASP 162 Ca -0.04 1.35 0.00 0.00 -0.53 0.00 0.00 54.79 55.57 2kem n ASP 162 Cb 0.44 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 2kem n ASP 162 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kem n HIS 163 N -5.27 0.00 -2.03 1.24 1.44 -1.26 -4.69 115.22 104.65 2kem n HIS 163 Ca 0.12 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.71 2kem n HIS 163 Cb 0.39 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.47 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 -1.87 0.00 -1.40 -0.06 -1.26 0.12 117.38 112.90 2kem n GLN 164 Ca 0.00 0.63 0.00 0.00 -2.00 0.00 0.00 57.00 55.63 2kem n GLN 164 Cb 0.00 -5.09 0.00 0.00 -4.06 0.00 0.00 30.24 21.09 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 -0.58 0.62 3.06 1.69 0.00 -1.26 -5.08 105.19 103.65 2kem n GLY 165 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 2.22 0.00 4.61 0.00 0.32 -5.06 121.76 121.86 2kem s ALA 166 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2kem s ALA 166 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.85 2kem s ALA 166 CO 0.00 -0.64 0.86 -0.35 0.00 0.00 0.00 175.76 175.62 2kem n PRO 167 N 4.62 0.00 -4.14 0.00 -0.04 -1.26 -4.21 135.00 129.97 2kem n PRO 167 Ca -0.17 0.47 -0.14 0.00 -0.04 0.00 0.00 63.50 63.61 2kem n PRO 167 Cb 0.48 -1.41 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 2kem n PRO 167 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2kem s PHE 168 N -2.64 0.96 -0.00 0.54 -0.71 -1.26 -4.62 117.98 110.24 2kem s PHE 168 Ca 0.00 -0.60 -0.01 0.00 -1.04 0.00 0.00 56.93 55.28 2kem s PHE 168 Cb 0.00 -0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 41.23 2kem s PHE 168 CO 0.00 -0.03 0.13 -0.65 -1.34 0.00 0.00 175.22 173.33 2kem s GLN 169 N -2.35 3.23 -0.20 1.99 -1.52 -1.26 -5.03 119.66 114.51 2kem s GLN 169 Ca 0.00 -0.42 -0.20 0.00 -1.95 0.00 0.00 55.36 52.79 2kem s GLN 169 Cb -0.05 -2.96 -0.20 0.00 -0.22 0.00 0.00 33.01 29.58 2kem s GLN 169 CO 0.00 0.66 0.22 -1.00 -0.25 0.00 0.00 175.29 174.92 2kem h PRO 170 N 3.93 0.02 0.00 2.91 0.13 -1.97 -3.39 132.00 133.63 2kem h PRO 170 Ca -0.49 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2kem h PRO 170 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kem h PRO 170 CO 0.66 1.02 0.00 1.87 -0.23 0.00 0.00 178.00 181.31 2kem n TRP 171 N -4.35 0.00 0.00 1.56 -0.00 -1.26 -4.74 117.44 108.65 2kem n TRP 171 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.18 2kem n TRP 171 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.02 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 1.89 0.00 -0.36 5.87 -0.08 -1.26 -4.70 116.55 117.91 2kem n ASP 172 Ca 0.00 0.00 0.36 0.00 -1.51 0.00 0.00 54.79 53.64 2kem n ASP 172 Cb 0.00 0.00 0.73 0.00 2.34 0.00 0.00 41.12 44.19 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 0.15 2.00 0.27 0.00 -2.01 1.19 103.07 104.67 2kem h GLY 173 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2kem h GLY 173 CO 0.00 -0.02 0.00 0.17 0.00 0.00 0.00 176.54 176.69 2kem h LEU 174 N 0.04 0.00 -0.32 3.11 -0.00 -1.87 -1.39 115.31 114.87 2kem h LEU 174 Ca 0.60 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 58.30 2kem h LEU 174 Cb 2.33 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.99 2kem h LEU 174 CO -0.04 0.00 -0.60 -0.78 -0.00 0.00 0.00 178.44 177.02 2kem h ASP 175 N 0.00 0.88 -0.41 0.17 1.82 0.11 0.12 116.42 119.10 2kem h ASP 175 Ca 0.00 -0.49 -0.01 0.00 -0.39 0.00 0.00 57.03 56.14 2kem h ASP 175 Cb 0.32 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.06 2kem h ASP 175 CO 0.00 1.27 0.23 -0.08 -1.61 0.00 0.00 179.24 179.06 2kem h GLU 176 N 0.58 0.57 0.00 0.28 4.81 -1.29 0.04 114.58 119.59 2kem h GLU 176 Ca -0.00 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2kem h GLU 176 Cb 1.20 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 2kem h GLU 176 CO 0.13 0.45 -0.09 0.45 -0.73 0.00 0.00 179.01 179.22 2kem h HIS 177 N 0.54 0.00 0.13 0.92 3.86 -1.33 -2.38 115.15 116.88 2kem h HIS 177 Ca 0.15 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.36 2kem h HIS 177 Cb 0.04 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 2kem h HIS 177 CO -0.03 0.09 -0.16 1.03 0.86 0.00 0.00 177.93 179.72 2kem h SER 178 N 0.00 -0.43 0.49 2.45 0.87 0.13 2.84 113.55 119.90 2kem h SER 178 Ca -0.00 0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.46 2kem h SER 178 Cb 0.52 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 2kem h SER 178 CO 0.01 -0.24 -0.62 0.06 -0.53 0.00 0.00 176.83 175.51 2kem h GLN 179 N -0.33 0.12 0.00 2.24 3.07 -1.34 -2.14 115.11 116.73 2kem h GLN 179 Ca 0.01 -0.09 -0.00 0.00 0.09 0.00 0.00 58.65 58.66 2kem h GLN 179 Cb 0.33 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.91 2kem h GLN 179 CO -0.06 0.71 -0.00 -0.44 0.09 0.00 0.00 178.83 179.12 2kem h ASP 180 N 0.09 -0.00 -0.68 0.06 3.32 -0.92 -2.41 116.42 115.88 2kem h ASP 180 Ca -0.01 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.16 2kem h ASP 180 Cb 1.12 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.55 2kem h ASP 180 CO 0.09 0.02 -0.33 0.25 -1.72 0.00 0.00 179.24 177.54 2kem h LEU 181 N -0.04 -1.18 -0.46 1.55 6.46 0.49 0.18 115.31 122.31 2kem h LEU 181 Ca -0.00 0.24 0.02 0.00 -0.12 0.00 0.00 57.88 58.02 2kem h LEU 181 Cb 0.00 0.60 -0.03 0.00 -0.73 0.00 0.00 40.66 40.50 2kem h LEU 181 CO 0.00 -0.30 0.28 -1.28 -0.62 0.00 0.00 178.44 176.52 2kem h SER 182 N -0.12 0.46 -0.41 1.25 0.87 -1.35 0.28 113.55 114.53 2kem h SER 182 Ca 0.26 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.94 2kem h SER 182 Cb 0.56 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 2kem h SER 182 CO -0.74 0.33 0.34 1.23 -0.53 0.00 0.00 176.83 177.45 2kem h GLY 183 N 0.57 0.00 0.58 5.77 0.00 -0.22 -0.68 103.07 109.09 2kem h GLY 183 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.37 2kem h GLY 183 CO -0.08 0.00 -0.63 3.21 0.00 0.00 0.00 176.54 179.05 2kem h ARG 184 N 0.00 0.26 -1.10 4.80 3.08 0.91 -1.98 114.38 120.35 2kem h ARG 184 Ca 0.19 -0.40 0.30 0.00 0.07 0.00 0.00 59.98 60.14 2kem h ARG 184 Cb 0.86 0.14 -0.09 0.00 0.08 0.00 0.00 29.97 30.96 2kem h ARG 184 CO -0.00 1.17 0.72 -0.07 -1.07 0.00 0.00 179.97 180.71 2kem h LEU 185 N -0.44 0.36 0.02 3.04 -0.00 0.49 1.91 115.31 120.69 2kem h LEU 185 Ca -0.10 0.08 -0.24 0.00 -0.00 0.00 0.00 57.88 57.62 2kem h LEU 185 Cb 1.46 0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 42.12 2kem h LEU 185 CO 0.12 0.03 -1.25 0.03 -0.00 0.00 0.00 178.44 177.37 2kem h ARG 186 N 0.30 0.04 0.00 1.13 -0.00 -1.45 -1.18 114.38 113.21 2kem h ARG 186 Ca 0.63 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.98 59.90 2kem h ARG 186 Cb 1.76 0.02 -0.02 0.00 0.00 0.00 0.00 29.97 31.74 2kem h ARG 186 CO -0.29 0.89 -0.68 0.00 0.00 0.00 0.00 179.97 179.89 2kem h ALA 187 N 0.93 0.59 0.00 0.04 0.00 0.18 -2.12 119.26 118.88 2kem h ALA 187 Ca -0.11 -0.62 -0.22 0.00 0.00 0.00 0.00 54.91 53.96 2kem h ALA 187 Cb 1.87 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.51 2kem h ALA 187 CO 0.12 0.85 -1.72 0.44 0.00 0.00 0.00 179.25 178.95 2kem n ILE 188 N -3.32 1.23 0.51 0.00 -5.35 0.56 -2.37 119.36 110.62 2kem n ILE 188 Ca 0.01 -0.73 0.12 0.00 -0.27 0.00 0.00 62.75 61.88 2kem n ILE 188 Cb 0.79 -0.70 0.26 0.00 -1.74 0.00 0.00 39.64 38.25 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 0.00 0.00 0.00 7.28 -0.00 -1.26 -3.35 115.31 117.97 2kem h LEU 189 Ca -0.25 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 2kem h LEU 189 Cb 1.77 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.43 2kem h LEU 189 CO 0.05 0.04 0.00 0.00 -0.00 0.00 0.00 178.44 178.52 2kem n GLN 190 N -2.36 0.00 0.00 1.13 1.13 -0.80 -4.80 117.38 111.68 2kem n GLN 190 Ca 0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 2kem n GLN 190 Cb 0.46 -0.20 0.00 0.00 0.11 0.00 0.00 30.24 30.61 2kem n GLN 190 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2kem n ASN 191 N -3.07 0.77 -4.06 1.08 2.85 -1.00 -4.50 115.26 107.33 2kem n ASN 191 Ca 0.00 -1.66 -0.35 0.00 -0.11 0.00 0.00 54.58 52.46 2kem n ASN 191 Cb 0.00 -0.38 -0.11 0.00 1.24 0.00 0.00 39.78 40.53 2kem n ASN 191 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 2kem s GLN 192 N -1.08 2.42 -0.20 1.20 -0.44 -1.00 -4.88 119.66 115.69 2kem s GLN 192 Ca 0.00 -2.55 -0.30 0.00 -2.50 0.00 0.00 55.36 50.01 2kem s GLN 192 Cb 0.00 -3.63 0.14 0.00 -1.64 0.00 0.00 33.01 27.88 2kem s GLN 192 CO 0.00 -1.16 1.09 -1.21 0.50 0.00 0.00 175.29 174.52 2kem s GLU 193 N -0.12 0.45 0.00 1.67 2.02 -1.26 -4.88 118.70 116.58 2kem s GLU 193 Ca 0.17 0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.29 2kem s GLU 193 Cb -0.21 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.23 2kem s GLU 193 CO -0.03 -0.14 0.00 -1.71 0.02 0.00 0.00 175.26 173.41