#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 0.00 3.84 2.08 -1.25 -4.82 119.36 119.20 2kem n ILE 2 Ca 0.00 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.32 2kem n ILE 2 Cb 0.00 -0.78 0.00 0.00 -0.75 0.00 0.00 39.64 38.11 2kem n ILE 2 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 2kem n LEU 3 N -1.76 0.00 -0.24 1.39 7.94 -1.26 -4.75 117.00 118.32 2kem n LEU 3 Ca 0.00 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.02 2kem n LEU 3 Cb 0.00 0.08 0.27 0.00 0.53 0.00 0.00 43.42 44.31 2kem n LEU 3 CO 0.00 -0.48 0.53 -1.14 -1.11 0.00 0.00 177.39 175.20 2kem n ARG 4 N -2.45 0.73 -0.01 1.96 0.63 -1.26 -3.95 116.66 112.31 2kem n ARG 4 Ca 0.00 -0.48 -0.17 0.00 -0.92 0.00 0.00 57.85 56.28 2kem n ARG 4 Cb 0.00 -1.49 -0.14 0.00 0.45 0.00 0.00 32.46 31.28 2kem n ARG 4 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2kem n HIS 5 N -0.72 1.12 0.00 -0.14 -0.00 -1.26 -4.94 115.22 109.28 2kem n HIS 5 Ca 0.10 0.28 0.00 0.00 0.46 0.00 0.00 57.72 58.57 2kem n HIS 5 Cb 0.36 -1.16 0.00 0.00 -0.12 0.00 0.00 29.99 29.07 2kem n HIS 5 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2kem n SER 6 N -3.33 0.00 -3.03 0.26 3.41 -1.25 -4.58 113.62 105.10 2kem n SER 6 Ca -0.28 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 2kem n SER 6 Cb 1.05 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.00 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 2.29 -3.68 4.33 1.56 -1.12 -3.87 117.12 116.63 2kem n MET 7 Ca 0.00 0.00 -0.35 0.00 -0.27 0.00 0.00 57.70 57.08 2kem n MET 7 Cb 0.00 0.00 -0.05 0.00 2.15 0.00 0.00 33.22 35.32 2kem n MET 7 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2kem s ASP 8 N -1.03 6.57 0.22 6.12 2.15 -1.26 -4.81 116.67 124.63 2kem s ASP 8 Ca 0.00 0.67 -0.09 0.00 0.43 0.00 0.00 52.55 53.57 2kem s ASP 8 Cb 0.00 -2.14 0.34 0.00 -0.30 0.00 0.00 42.92 40.83 2kem s ASP 8 CO 0.00 0.25 1.68 -0.65 -0.17 0.00 0.00 175.17 176.28 2kem h PRO 9 N 4.10 0.19 -0.98 4.34 0.11 -1.98 0.08 132.00 137.85 2kem h PRO 9 Ca -0.50 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 2kem h PRO 9 Cb 1.20 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 2kem h PRO 9 CO 0.65 0.12 0.06 -0.35 -0.21 0.00 0.00 178.00 178.27 2kem n PRO 10 N -5.21 1.30 -0.03 1.05 -0.04 -1.26 -4.08 135.00 126.73 2kem n PRO 10 Ca 0.10 -0.41 -0.02 0.00 -0.04 0.00 0.00 63.50 63.13 2kem n PRO 10 Cb 0.38 -1.32 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.21 0.53 -0.10 0.52 -1.04 0.01 -4.26 114.28 110.16 2kem n THR 11 Ca 0.06 0.39 -0.15 0.00 -2.04 0.00 0.00 64.05 62.31 2kem n THR 11 Cb 0.55 -1.82 -0.07 0.00 -1.82 0.00 0.00 70.33 67.17 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 -3.16 0.71 0.29 -1.42 3.01 -1.26 -2.19 117.46 113.44 2kem n PHE 12 Ca -0.04 0.31 0.19 0.00 1.01 0.00 0.00 57.45 58.93 2kem n PHE 12 Cb 0.13 -0.89 1.02 0.00 -0.01 0.00 0.00 39.48 39.73 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 -1.89 1.21 112.91 116.62 2kem h THR 13 Ca -0.23 -0.03 -0.12 0.00 -0.01 0.00 0.00 66.41 66.02 2kem h THR 13 Cb 1.03 0.88 -0.02 0.00 -1.07 0.00 0.00 68.15 68.97 2kem h THR 13 CO -0.14 0.00 -0.98 0.33 -0.01 0.00 0.00 175.52 174.72 2kem n PHE 14 N -2.84 0.83 -0.10 0.00 -0.00 -1.26 -4.04 117.46 110.05 2kem n PHE 14 Ca -0.02 0.36 -0.23 0.00 -0.00 0.00 0.00 57.45 57.56 2kem n PHE 14 Cb 0.07 -0.90 -0.12 0.00 -0.00 0.00 0.00 39.48 38.54 2kem n PHE 14 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2kem n ASN 15 N -4.51 1.90 0.30 -2.13 3.02 -0.93 -4.22 115.26 108.68 2kem n ASN 15 Ca -0.21 0.38 0.19 0.00 -0.03 0.00 0.00 54.58 54.91 2kem n ASN 15 Cb 0.49 -0.93 0.86 0.00 -0.61 0.00 0.00 39.78 39.59 2kem n ASN 15 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 2kem h PHE 16 N -0.89 0.00 -3.34 3.10 -1.00 0.13 -3.33 116.94 111.61 2kem h PHE 16 Ca -0.41 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 59.81 2kem h PHE 16 Cb 1.43 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.96 2kem h PHE 16 CO 0.07 0.02 -0.17 1.21 -1.61 0.00 0.00 178.31 177.83 2kem s ASN 17 N -5.57 6.61 0.00 2.17 3.84 0.13 -4.28 114.94 117.83 2kem s ASN 17 Ca -0.01 0.84 0.00 0.00 0.21 0.00 0.00 52.86 53.90 2kem s ASN 17 Cb 0.11 -2.19 0.00 0.00 -0.55 0.00 0.00 41.25 38.61 2kem s ASN 17 CO 0.51 -0.02 0.00 -3.20 -2.79 0.00 0.00 177.10 171.60 2kem n ASN 18 N 0.04 0.00 -3.77 -4.21 5.15 -1.26 -4.78 115.26 106.43 2kem n ASN 18 Ca -0.01 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.88 2kem n ASN 18 Cb 0.52 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.74 2kem n ASN 18 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2kem s GLU 19 N 0.00 1.72 0.00 1.20 8.01 -1.26 -4.94 118.70 123.43 2kem s GLU 19 Ca 0.00 -1.25 0.00 0.00 0.01 0.00 0.00 54.97 53.73 2kem s GLU 19 Cb 0.00 0.52 0.00 0.00 -4.31 0.00 0.00 34.13 30.34 2kem s GLU 19 CO 0.00 -0.75 0.48 -0.35 0.01 0.00 0.00 175.26 174.65 2kem n PRO 20 N -0.44 0.00 0.00 0.39 -0.04 -1.26 -4.00 135.00 129.65 2kem n PRO 20 Ca -0.03 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2kem n PRO 20 Cb 0.61 -0.98 0.00 0.00 -0.04 0.00 0.00 33.50 33.09 2kem n PRO 20 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2kem n TRP 21 N -0.70 0.00 -0.78 0.54 4.27 -1.25 -3.21 117.44 116.31 2kem n TRP 21 Ca 0.00 0.00 0.02 0.00 -3.89 0.00 0.00 57.50 53.63 2kem n TRP 21 Cb 0.00 0.00 -0.00 0.00 -1.36 0.00 0.00 31.31 29.95 2kem n TRP 21 CO 0.00 0.00 0.00 1.33 -2.29 0.00 0.00 177.69 176.73 2kem n VAL 22 N -0.35 0.00 -0.00 -1.67 0.24 -1.26 -4.64 118.33 110.66 2kem n VAL 22 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2kem n VAL 22 Cb 0.00 -0.04 -0.00 0.00 -1.47 0.00 0.00 33.84 32.33 2kem n VAL 22 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2kem h ARG 23 N 0.00 -0.00 -2.35 7.34 9.65 -2.02 -3.46 114.38 123.53 2kem h ARG 23 Ca 0.00 0.00 -0.40 0.00 -1.10 0.00 0.00 59.98 58.48 2kem h ARG 23 Cb 0.11 0.00 -0.35 0.00 -1.39 0.00 0.00 29.97 28.34 2kem h ARG 23 CO 0.00 -0.00 -0.69 0.20 2.80 0.00 0.00 179.97 182.28 2kem s GLY 24 N -1.99 0.10 -0.04 2.80 0.00 -1.26 -5.03 107.32 101.90 2kem s GLY 24 Ca -0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 44.72 44.05 2kem s GLY 24 CO 0.00 2.45 0.03 -0.96 0.00 0.00 0.00 173.10 174.63 2kem n ARG 25 N 5.19 -1.63 -3.52 2.90 1.85 -1.26 -5.02 116.66 115.17 2kem n ARG 25 Ca -0.02 1.51 -0.13 0.00 -1.00 0.00 0.00 57.85 58.21 2kem n ARG 25 Cb 0.45 -1.61 -0.11 0.00 -1.05 0.00 0.00 32.46 30.13 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 -0.36 -0.56 -0.90 2.89 3.76 -1.26 -4.92 115.29 113.93 2kem s HIS 26 Ca -0.04 0.82 -0.00 0.00 -0.15 0.00 0.00 55.06 55.69 2kem s HIS 26 Cb 0.00 -0.05 0.00 0.00 1.11 0.00 0.00 32.58 33.64 2kem s HIS 26 CO 0.14 -0.55 0.76 -1.91 -0.85 0.00 0.00 174.74 172.33 2kem n GLU 27 N 5.35 -5.01 -1.49 1.40 0.00 -1.26 -4.93 120.64 114.70 2kem n GLU 27 Ca -0.06 0.63 -0.42 0.00 0.00 0.00 0.00 57.16 57.32 2kem n GLU 27 Cb 0.50 -5.02 0.01 0.00 0.00 0.00 0.00 31.44 26.93 2kem n GLU 27 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2kem n THR 28 N -3.40 1.97 -3.70 6.31 -1.04 -1.25 -4.81 114.28 108.36 2kem n THR 28 Ca -0.20 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.19 2kem n THR 28 Cb 0.62 -0.68 -0.12 0.00 -1.82 0.00 0.00 70.33 68.34 2kem n THR 28 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2kem s TYR 29 N -1.41 -0.49 -0.04 -1.42 6.14 -1.26 -2.34 117.35 116.54 2kem s TYR 29 Ca 0.63 1.07 0.02 0.00 0.64 0.00 0.00 57.07 59.44 2kem s TYR 29 Cb -0.60 0.14 0.01 0.00 0.42 0.00 0.00 41.96 41.92 2kem s TYR 29 CO 0.58 -0.32 -0.09 -0.48 0.64 0.00 0.00 175.55 175.87 2kem s LEU 30 N 1.65 1.71 0.01 6.97 0.05 -0.44 -4.37 118.68 124.27 2kem s LEU 30 Ca -0.07 -0.21 -0.21 0.00 0.05 0.00 0.00 54.13 53.69 2kem s LEU 30 Cb -0.10 -0.61 -0.05 0.00 -2.05 0.00 0.00 46.19 43.37 2kem s LEU 30 CO -0.10 0.05 0.62 0.00 -0.55 0.00 0.00 176.35 176.37 2kem s TYR 32 N -0.25 3.41 -0.14 0.00 1.13 -1.12 0.52 117.35 120.90 2kem s TYR 32 Ca 0.32 0.25 -0.04 0.00 -1.41 0.00 0.00 57.07 56.19 2kem s TYR 32 Cb -0.19 -1.76 0.05 0.00 -1.10 0.00 0.00 41.96 38.97 2kem s TYR 32 CO 0.18 0.59 0.07 -2.00 -2.51 0.00 0.00 175.55 171.88 2kem s GLU 33 N -2.07 0.20 0.11 -3.49 2.12 -0.53 -2.72 118.70 112.32 2kem s GLU 33 Ca 0.28 -0.04 0.09 0.00 0.36 0.00 0.00 54.97 55.65 2kem s GLU 33 Cb -0.12 -1.56 -0.04 0.00 0.26 0.00 0.00 34.13 32.67 2kem s GLU 33 CO 0.20 -0.57 -0.22 0.14 -0.54 0.00 0.00 175.26 174.27 2kem s VAL 34 N 2.08 1.80 0.49 3.70 -7.23 -1.09 0.15 120.40 120.30 2kem s VAL 34 Ca 0.02 -1.60 0.07 0.00 -1.81 0.00 0.00 61.98 58.66 2kem s VAL 34 Cb -0.15 -1.64 0.01 0.00 0.56 0.00 0.00 36.38 35.16 2kem s VAL 34 CO -0.07 -0.05 0.40 -1.61 -0.31 0.00 0.00 175.10 173.45 2kem s GLU 35 N -1.98 2.34 -0.27 4.82 2.02 -0.84 -4.51 118.70 120.29 2kem s GLU 35 Ca 0.08 -1.82 -0.05 0.00 0.02 0.00 0.00 54.97 53.20 2kem s GLU 35 Cb -0.10 -2.21 0.01 0.00 0.10 0.00 0.00 34.13 31.93 2kem s GLU 35 CO 0.05 -0.44 0.02 1.03 0.02 0.00 0.00 175.26 175.93 2kem s ARG 36 N -4.22 3.09 -0.45 1.61 0.52 -0.50 -1.75 118.95 117.25 2kem s ARG 36 Ca 0.41 -0.84 -0.16 0.00 -0.52 0.00 0.00 55.73 54.63 2kem s ARG 36 Cb -0.02 -3.19 0.05 0.00 0.52 0.00 0.00 34.95 32.31 2kem s ARG 36 CO 0.25 -0.38 0.38 -1.64 0.02 0.00 0.00 175.30 173.93 2kem s MET 37 N 1.45 2.99 0.00 3.54 -1.94 0.26 0.46 119.30 126.06 2kem s MET 37 Ca 0.03 -1.17 0.00 0.00 -1.71 0.00 0.00 55.69 52.83 2kem s MET 37 Cb -0.16 -4.07 0.00 0.00 2.01 0.00 0.00 34.83 32.61 2kem s MET 37 CO -0.01 -0.93 0.00 0.72 -0.01 0.00 0.00 175.02 174.79 2kem n HIS 38 N 5.26 0.00 -0.68 -0.03 8.25 -0.86 -3.62 115.22 123.55 2kem n HIS 38 Ca -0.11 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.14 2kem n HIS 38 Cb 0.45 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.54 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 0.00 4.09 0.00 0.41 3.02 -1.26 -3.01 115.26 118.51 2kem n ASN 39 Ca 0.00 -2.31 0.00 0.00 -0.03 0.00 0.00 54.58 52.24 2kem n ASN 39 Cb 0.00 -1.02 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 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 4.61 0.00 -4.98 6.41 2.03 -1.26 -5.10 116.55 118.26 2kem n ASP 40 Ca 0.39 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.50 2kem n ASP 40 Cb 0.14 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.52 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 -2.00 4.92 -0.43 5.18 2.01 -1.16 -5.08 115.64 119.08 2kem s THR 41 Ca 0.00 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.08 2kem s THR 41 Cb 0.00 -3.73 0.18 0.00 0.01 0.00 0.00 72.50 68.95 2kem s THR 41 CO 0.00 -0.29 0.57 -1.66 -0.69 0.00 0.00 174.62 172.55 2kem s TRP 42 N -2.04 -1.11 -0.89 4.92 1.48 -0.86 -2.03 118.94 118.42 2kem s TRP 42 Ca 0.37 -0.46 -0.25 0.00 -1.06 0.00 0.00 56.10 54.71 2kem s TRP 42 Cb -0.09 0.03 0.01 0.00 -1.16 0.00 0.00 33.47 32.26 2kem s TRP 42 CO 0.30 -1.13 1.62 0.08 -4.06 0.00 0.00 176.95 173.76 2kem s VAL 43 N 1.32 3.68 -0.31 -0.66 1.01 0.17 -4.67 120.40 120.95 2kem s VAL 43 Ca 0.21 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.89 2kem s VAL 43 Cb -0.05 -4.59 0.46 0.00 0.00 0.00 0.00 36.38 32.20 2kem s VAL 43 CO -0.06 -1.51 1.61 2.29 0.00 0.00 0.00 175.10 177.43 2kem n LYS 44 N 9.00 1.92 0.00 2.72 2.85 -1.26 -1.41 118.16 131.98 2kem n LYS 44 Ca 0.29 -2.03 0.00 0.00 -1.05 0.00 0.00 58.31 55.52 2kem n LYS 44 Cb 0.50 -1.80 0.00 0.00 -0.65 0.00 0.00 35.03 33.07 2kem n LYS 44 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2kem n LEU 45 N -0.56 0.00 -3.47 -5.58 7.94 -1.26 -4.66 117.00 109.41 2kem n LEU 45 Ca 0.39 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.94 2kem n LEU 45 Cb 1.28 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 45.18 2kem n LEU 45 CO 0.40 -0.86 2.15 -0.46 -1.11 0.00 0.00 177.39 177.51 2kem n ASN 46 N -1.22 3.16 -4.24 1.96 6.94 -1.26 -4.83 115.26 115.77 2kem n ASN 46 Ca 0.00 -2.55 -0.37 0.00 -0.02 0.00 0.00 54.58 51.64 2kem n ASN 46 Cb 0.00 -1.08 -0.13 0.00 -2.36 0.00 0.00 39.78 36.21 2kem n ASN 46 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2kem s GLN 47 N 4.54 2.56 0.00 -3.83 -1.52 -1.26 -5.02 119.66 115.12 2kem s GLN 47 Ca 0.50 -1.23 0.00 0.00 -1.95 0.00 0.00 55.36 52.69 2kem s GLN 47 Cb 0.13 -3.40 0.00 0.00 -0.22 0.00 0.00 33.01 29.51 2kem s GLN 47 CO 0.07 -0.67 0.00 -2.13 -0.25 0.00 0.00 175.29 172.31 2kem n ARG 48 N 4.76 0.00 0.00 2.91 0.63 -1.26 -2.66 116.66 121.04 2kem n ARG 48 Ca -0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 2kem n ARG 48 Cb 0.44 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.35 2kem n ARG 48 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2kem n ARG 49 N 0.00 0.00 0.00 -0.14 1.74 -1.11 -5.01 116.66 112.14 2kem n ARG 49 Ca 0.00 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 2kem n ARG 49 Cb 0.00 -0.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.96 2kem n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kem n GLY 50 N 0.00 1.14 0.00 -0.13 0.00 -1.10 -4.85 105.19 100.25 2kem n GLY 50 Ca 0.00 -2.10 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 0.55 0.00 -1.95 1.61 7.35 -0.35 -2.77 117.46 121.90 2kem n PHE 51 Ca 0.00 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.43 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 -3.10 -2.13 7.99 -1.19 -4.70 117.00 113.87 2kem n LEU 52 Ca 0.00 -1.41 -0.01 0.00 -0.01 0.00 0.00 56.01 54.57 2kem n LEU 52 Cb 0.00 -0.86 -0.01 0.00 -0.11 0.00 0.00 43.42 42.44 2kem n LEU 52 CO 0.00 -1.29 0.08 0.00 -1.51 0.00 0.00 177.39 174.68 2kem s ALA 53 N -3.84 -2.18 0.15 -1.18 0.00 -1.26 -1.32 121.76 112.13 2kem s ALA 53 Ca 0.67 -0.04 0.11 0.00 0.00 0.00 0.00 51.96 52.70 2kem s ALA 53 Cb -0.02 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 2kem s ALA 53 CO 0.46 -2.22 -0.25 -0.80 0.00 0.00 0.00 175.76 172.95 2kem s ASN 54 N 1.55 3.43 -0.01 0.00 -0.87 -0.99 -4.71 114.94 113.34 2kem s ASN 54 Ca 0.20 -0.76 0.07 0.00 -1.57 0.00 0.00 52.86 50.79 2kem s ASN 54 Cb -0.03 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.25 40.90 2kem s ASN 54 CO -0.06 0.16 -0.21 0.00 -2.57 0.00 0.00 177.10 174.42 2kem s GLN 55 N -2.27 2.17 0.12 -0.60 -2.07 -1.22 -0.75 119.66 115.04 2kem s GLN 55 Ca 0.17 -0.90 -0.23 0.00 -1.82 0.00 0.00 55.36 52.58 2kem s GLN 55 Cb -0.09 -2.16 -0.06 0.00 -1.09 0.00 0.00 33.01 29.61 2kem s GLN 55 CO 0.08 0.57 1.68 0.00 -1.32 0.00 0.00 175.29 176.29 2kem h ALA 56 N 5.15 -0.12 -2.25 2.60 0.00 -1.87 -3.38 119.26 119.39 2kem h ALA 56 Ca -0.45 0.02 -0.50 0.00 0.00 0.00 0.00 54.91 53.98 2kem h ALA 56 Cb 1.14 0.25 0.19 0.00 0.00 0.00 0.00 17.79 19.37 2kem h ALA 56 CO 0.48 -0.61 0.18 -2.14 0.00 0.00 0.00 179.25 177.16 2kem s PRO 57 N -6.15 0.69 0.00 0.00 0.02 -1.26 -1.81 135.00 126.49 2kem s PRO 57 Ca -0.14 1.26 0.00 0.00 0.02 0.00 0.00 61.00 62.14 2kem s PRO 57 Cb 0.09 -1.71 0.00 0.00 0.02 0.00 0.00 34.50 32.90 2kem s PRO 57 CO 0.67 -2.76 0.00 0.72 -0.33 0.00 0.00 177.00 175.29 2kem n HIS 58 N -4.30 -0.09 -4.01 6.54 8.25 -1.26 -4.88 115.22 115.47 2kem n HIS 58 Ca 0.09 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.43 2kem n HIS 58 Cb 0.53 0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 2kem n HIS 58 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2kem n LYS 59 N -0.92 0.46 0.02 -0.41 4.76 -1.26 -4.97 118.16 115.83 2kem n LYS 59 Ca 0.00 -2.17 -0.12 0.00 -2.87 0.00 0.00 58.31 53.15 2kem n LYS 59 Cb 0.00 1.99 -0.09 0.00 -1.84 0.00 0.00 35.03 35.09 2kem n LYS 59 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 2kem h HIS 60 N 1.76 -0.11 0.00 2.13 2.07 -2.02 -2.72 115.15 116.27 2kem h HIS 60 Ca -0.19 -0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.13 2kem h HIS 60 Cb 0.88 0.04 -0.03 0.00 2.57 0.00 0.00 27.41 30.86 2kem h HIS 60 CO 0.00 0.41 -1.47 0.41 -3.07 0.00 0.00 177.93 174.21 2kem n GLY 61 N 0.53 -1.16 0.38 6.13 0.00 -1.26 -3.90 105.19 105.92 2kem n GLY 61 Ca -0.08 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.91 0.17 -1.63 1.61 7.35 -1.26 -4.84 117.46 115.94 2kem n PHE 62 Ca -0.11 -0.09 -0.37 0.00 -0.76 0.00 0.00 57.45 56.13 2kem n PHE 62 Cb 0.88 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.68 2kem n PHE 62 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 2kem s LEU 63 N -1.46 3.39 -0.22 -2.13 1.98 -1.02 -4.50 118.68 114.71 2kem s LEU 63 Ca 0.28 1.01 0.10 0.00 -2.89 0.00 0.00 54.13 52.63 2kem s LEU 63 Cb 0.14 -2.56 -0.21 0.00 0.66 0.00 0.00 46.19 44.22 2kem s LEU 63 CO 0.22 -2.77 -0.04 -1.84 -1.89 0.00 0.00 176.35 170.03 2kem n GLU 64 N 9.02 0.67 -2.70 1.98 0.00 -1.26 -5.03 120.64 123.33 2kem n GLU 64 Ca 0.34 0.07 -0.09 0.00 0.00 0.00 0.00 57.16 57.48 2kem n GLU 64 Cb 0.54 -1.53 0.05 0.00 0.00 0.00 0.00 31.44 30.50 2kem n GLU 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kem n GLY 65 N 1.98 -0.03 2.86 -1.84 0.00 -0.75 -5.05 105.19 102.35 2kem n GLY 65 Ca -0.38 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 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 -4.53 1.17 0.52 1.61 1.70 -1.26 -4.78 118.95 113.39 2kem s ARG 66 Ca 0.05 -0.12 0.03 0.00 -0.47 0.00 0.00 55.73 55.22 2kem s ARG 66 Cb -0.01 -1.34 0.03 0.00 -0.57 0.00 0.00 34.95 33.06 2kem s ARG 66 CO 0.39 -0.27 0.73 -1.01 -1.08 0.00 0.00 175.30 174.06 2kem s HIS 67 N 1.77 2.85 0.47 5.89 3.76 -1.26 -3.38 115.29 125.40 2kem s HIS 67 Ca 0.04 -0.09 0.36 0.00 -0.15 0.00 0.00 55.06 55.22 2kem s HIS 67 Cb -0.13 -2.66 1.54 0.00 1.11 0.00 0.00 32.58 32.44 2kem s HIS 67 CO -0.07 -0.77 1.59 0.00 -0.85 0.00 0.00 174.74 174.65 2kem h ALA 68 N 0.20 3.06 0.34 -1.40 0.00 -1.18 1.02 119.26 121.30 2kem h ALA 68 Ca -0.42 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2kem h ALA 68 Cb 1.29 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 2kem h ALA 68 CO 0.51 -1.70 -0.20 0.93 0.00 0.00 0.00 179.25 178.79 2kem h GLU 69 N 0.03 -0.49 0.00 0.00 3.07 -1.91 0.21 114.58 115.49 2kem h GLU 69 Ca 0.87 0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.75 2kem h GLU 69 Cb 2.97 0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 30.99 2kem h GLU 69 CO -0.34 -0.32 -0.08 1.25 -1.40 0.00 0.00 179.01 178.12 2kem h LEU 70 N -0.51 0.00 -1.53 1.33 5.85 0.64 0.42 115.31 121.51 2kem h LEU 70 Ca -0.04 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2kem h LEU 70 Cb 0.41 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2kem h LEU 70 CO 0.05 0.08 -0.12 0.00 -0.34 0.00 0.00 178.44 178.10 2kem h PHE 72 N 0.15 0.76 -0.01 0.00 3.57 0.29 -1.75 116.94 119.95 2kem h PHE 72 Ca 0.03 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.35 2kem h PHE 72 Cb 0.31 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 2kem h PHE 72 CO 0.00 0.87 0.01 -0.07 -2.23 0.00 0.00 178.31 176.89 2kem h LEU 73 N 0.57 0.01 -0.14 0.59 4.07 -0.27 -0.81 115.31 119.32 2kem h LEU 73 Ca 0.07 -0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.81 2kem h LEU 73 Cb 0.76 -0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.50 2kem h LEU 73 CO 0.06 0.01 -0.98 -0.78 -1.08 0.00 0.00 178.44 175.67 2kem h ASP 74 N 0.01 0.45 -0.83 -0.43 3.58 -0.82 -3.22 116.42 115.16 2kem h ASP 74 Ca 0.00 -0.38 0.02 0.00 0.42 0.00 0.00 57.03 57.09 2kem h ASP 74 Cb 0.00 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 40.87 2kem h ASP 74 CO -0.00 1.20 0.55 -0.37 -2.88 0.00 0.00 179.24 177.74 2kem h VAL 75 N 0.18 1.18 0.20 2.25 -1.51 -0.50 -2.86 116.25 115.18 2kem h VAL 75 Ca -0.08 -0.37 0.01 0.00 -1.23 0.00 0.00 66.70 65.02 2kem h VAL 75 Cb 1.63 0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 30.75 2kem h VAL 75 CO 0.16 0.20 -0.50 0.40 -1.23 0.00 0.00 177.57 176.60 2kem h ILE 76 N 1.08 0.00 -0.16 7.19 1.08 -1.50 2.24 117.51 127.45 2kem h ILE 76 Ca 0.31 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.77 2kem h ILE 76 Cb -0.06 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.68 2kem h ILE 76 CO -0.08 0.00 0.04 1.55 -0.69 0.00 0.00 178.15 178.97 2kem h PRO 77 N -0.77 0.22 0.17 2.37 0.13 -1.66 -1.65 132.00 130.81 2kem h PRO 77 Ca -0.02 -0.02 -0.32 0.00 -0.87 0.00 0.00 66.00 64.77 2kem h PRO 77 Cb 0.75 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.84 2kem h PRO 77 CO -0.22 0.21 -1.52 0.35 -0.23 0.00 0.00 178.00 176.59 2kem h PHE 78 N 0.22 0.65 -0.32 1.56 3.04 -1.25 -3.24 116.94 117.60 2kem h PHE 78 Ca 0.06 -0.48 0.09 0.00 3.98 0.00 0.00 57.97 61.62 2kem h PHE 78 Cb 0.09 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.56 2kem h PHE 78 CO 0.00 1.48 0.29 -1.49 -2.02 0.00 0.00 178.31 176.57 2kem h TRP 79 N 0.10 0.00 -0.33 0.41 4.06 0.43 -3.44 115.95 117.18 2kem h TRP 79 Ca -0.25 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.57 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 0.09 0.00 -0.12 1.63 -3.56 0.00 0.00 178.44 176.48 2kem n LYS 80 N -4.00 -0.45 -1.70 0.49 4.76 -0.74 -4.81 118.16 111.70 2kem n LYS 80 Ca 0.05 0.71 -0.58 0.00 -2.87 0.00 0.00 58.31 55.62 2kem n LYS 80 Cb 0.46 -4.49 -0.07 0.00 -1.84 0.00 0.00 35.03 29.08 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 -0.75 2.19 0.00 -0.35 -0.00 -0.70 0.21 117.00 117.60 2kem n LEU 81 Ca -0.07 1.09 0.00 0.00 -0.00 0.00 0.00 56.01 57.03 2kem n LEU 81 Cb 0.23 -1.12 0.00 0.00 -0.00 0.00 0.00 43.42 42.53 2kem n LEU 81 CO 0.10 -0.54 0.00 -0.67 -0.00 0.00 0.00 177.39 176.28 2kem n ASP 82 N 4.97 0.00 -0.20 1.96 2.03 0.13 -4.51 116.55 120.93 2kem n ASP 82 Ca 0.26 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 0.72 0.00 -0.72 0.00 0.00 41.12 41.24 2kem n ASP 82 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2kem h LEU 83 N 0.00 0.01 0.00 -2.67 -0.00 -1.90 -3.06 115.31 107.69 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 -1.18 0.47 -0.00 0.00 0.00 178.44 177.74 2kem n ASP 84 N -4.26 3.63 -3.64 0.17 9.92 0.13 -5.08 116.55 117.42 2kem n ASP 84 Ca 0.19 -0.01 -0.04 0.00 -0.53 0.00 0.00 54.79 54.40 2kem n ASP 84 Cb 0.99 -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 -2.06 0.44 -0.23 -1.24 -2.07 -1.11 -5.04 119.66 108.34 2kem s GLN 85 Ca -0.04 0.71 -0.19 0.00 -1.82 0.00 0.00 55.36 54.02 2kem s GLN 85 Cb 0.01 0.12 -0.03 0.00 -1.09 0.00 0.00 33.01 32.02 2kem s GLN 85 CO 0.07 -0.08 0.56 0.34 -1.32 0.00 0.00 175.29 174.86 2kem s ASP 86 N 1.16 6.54 0.07 12.60 -1.08 -1.24 0.20 116.67 134.92 2kem s ASP 86 Ca -0.07 0.65 0.05 0.00 -0.52 0.00 0.00 52.55 52.67 2kem s ASP 86 Cb -0.04 -2.31 -0.04 0.00 -1.46 0.00 0.00 42.92 39.07 2kem s ASP 86 CO -0.14 -0.28 -0.04 -0.31 0.52 0.00 0.00 175.17 174.93 2kem s TYR 87 N 2.11 2.92 -0.84 -5.34 1.51 -1.26 0.89 117.35 117.34 2kem s TYR 87 Ca 0.24 -0.05 -0.17 0.00 -1.01 0.00 0.00 57.07 56.08 2kem s TYR 87 Cb -0.16 -1.53 0.17 0.00 -0.11 0.00 0.00 41.96 40.33 2kem s TYR 87 CO 0.09 0.45 0.92 1.03 -1.11 0.00 0.00 175.55 176.93 2kem s ARG 88 N -2.10 3.53 0.07 -0.62 0.52 -0.72 -2.56 118.95 117.08 2kem s ARG 88 Ca 0.23 -2.01 -0.30 0.00 -0.52 0.00 0.00 55.73 53.13 2kem s ARG 88 Cb -0.11 -4.63 -0.05 0.00 0.52 0.00 0.00 34.95 30.68 2kem s ARG 88 CO 0.15 -1.54 1.00 0.08 0.02 0.00 0.00 175.30 175.01 2kem s VAL 89 N 1.60 4.56 -0.34 3.52 1.01 0.35 -1.99 120.40 129.10 2kem s VAL 89 Ca 0.24 1.99 -0.01 0.00 0.00 0.00 0.00 61.98 64.20 2kem s VAL 89 Cb -0.10 -4.27 0.13 0.00 0.00 0.00 0.00 36.38 32.14 2kem s VAL 89 CO -0.07 0.24 0.19 0.42 0.00 0.00 0.00 175.10 175.88 2kem s THR 90 N 0.43 0.20 0.28 3.92 -4.23 0.12 0.07 115.64 116.43 2kem s THR 90 Ca 0.50 -1.55 -0.13 0.00 -1.18 0.00 0.00 61.69 59.33 2kem s THR 90 Cb -0.23 -1.16 -0.08 0.00 1.34 0.00 0.00 72.50 72.36 2kem s THR 90 CO 0.29 -0.92 0.66 0.00 -0.54 0.00 0.00 174.62 174.12 2kem s PHE 92 N -1.87 3.44 0.20 0.00 0.40 0.18 0.73 117.98 121.06 2kem s PHE 92 Ca 0.50 -2.52 0.01 0.00 -0.60 0.00 0.00 56.93 54.32 2kem s PHE 92 Cb -0.11 -2.31 0.01 0.00 0.51 0.00 0.00 43.02 41.13 2kem s PHE 92 CO 0.19 -0.90 0.12 0.25 0.70 0.00 0.00 175.22 175.58 2kem n THR 93 N 4.39 0.00 -0.07 0.64 -2.24 0.29 -2.13 114.28 115.15 2kem n THR 93 Ca -0.08 -0.80 -0.04 0.00 -2.27 0.00 0.00 64.05 60.86 2kem n THR 93 Cb 0.42 -0.24 -0.15 0.00 -2.10 0.00 0.00 70.33 68.26 2kem n THR 93 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2kem n SER 94 N -1.80 0.30 -3.97 3.42 3.41 -1.26 -3.86 113.62 109.87 2kem n SER 94 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.49 2kem n SER 94 Cb 0.23 1.22 -0.06 0.00 -0.26 0.00 0.00 64.21 65.34 2kem n SER 94 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 2kem s TRP 95 N -2.71 0.39 1.21 7.33 1.48 -1.26 -0.22 118.94 125.17 2kem s TRP 95 Ca -0.09 -0.74 -0.18 0.00 -1.06 0.00 0.00 56.10 54.03 2kem s TRP 95 Cb 0.08 0.04 0.28 0.00 -1.16 0.00 0.00 33.47 32.71 2kem s TRP 95 CO 0.80 -0.84 0.63 -1.13 -4.06 0.00 0.00 176.95 172.35 2kem n SER 96 N -0.30 -3.60 0.00 -2.66 3.41 -1.19 -4.75 113.62 104.54 2kem n SER 96 Ca -0.05 -0.63 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 2kem n SER 96 Cb 0.63 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 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 -3.65 0.00 0.00 4.33 -0.04 -1.26 -4.87 135.00 129.51 2kem n PRO 97 Ca 0.10 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 2kem n PRO 97 Cb 0.44 -0.56 0.00 0.00 -0.04 0.00 0.00 33.50 33.33 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 1.01 -0.87 0.00 -5.15 -1.82 0.06 116.94 110.18 2kem h PHE 99 Ca 0.00 0.01 0.05 0.00 -0.20 0.00 0.00 57.97 57.83 2kem h PHE 99 Cb 0.00 -0.34 -0.06 0.00 0.22 0.00 0.00 35.95 35.78 2kem h PHE 99 CO 0.00 0.66 0.55 0.77 -2.00 0.00 0.00 178.31 178.29 2kem h SER 100 N 1.06 0.89 0.34 -0.68 0.02 -1.96 0.56 113.55 113.78 2kem h SER 100 Ca 0.28 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.12 2kem h SER 100 Cb -0.07 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 2kem h SER 100 CO -0.06 0.58 -0.51 0.00 -1.14 0.00 0.00 176.83 175.71 2kem h ALA 102 N 1.32 1.20 -0.20 0.00 0.00 0.11 0.65 119.26 122.34 2kem h ALA 102 Ca 0.00 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2kem h ALA 102 Cb 0.95 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2kem h ALA 102 CO 0.08 -0.20 -0.09 1.96 0.00 0.00 0.00 179.25 181.00 2kem h GLN 103 N 0.49 0.42 0.71 0.00 4.20 -1.13 -0.78 115.11 119.03 2kem h GLN 103 Ca 0.46 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.95 2kem h GLN 103 Cb 0.72 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.49 2kem h GLN 103 CO -0.42 0.70 -0.34 0.93 -0.67 0.00 0.00 178.83 179.03 2kem h GLU 104 N 0.12 -0.92 0.00 1.46 5.08 -0.82 -0.80 114.58 118.69 2kem h GLU 104 Ca 0.05 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2kem h GLU 104 Cb 0.58 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2kem h GLU 104 CO 0.03 -0.60 0.00 -1.33 -1.00 0.00 0.00 179.01 176.11 2kem n MET 105 N -5.48 0.09 -0.03 2.33 2.81 0.21 -2.44 117.12 114.61 2kem n MET 105 Ca -0.14 0.39 -0.01 0.00 -1.81 0.00 0.00 57.70 56.14 2kem n MET 105 Cb 0.39 -1.69 -0.00 0.00 -0.71 0.00 0.00 33.22 31.21 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 2.29 0.00 -1.16 3.04 0.00 -0.73 0.52 119.26 123.22 2kem h ALA 106 Ca 0.00 -0.14 0.34 0.00 0.00 0.00 0.00 54.91 55.10 2kem h ALA 106 Cb 0.23 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 2kem h ALA 106 CO 0.00 0.10 0.91 1.57 0.00 0.00 0.00 179.25 181.83 2kem h LYS 107 N -0.54 0.00 0.00 0.00 2.10 -1.15 3.03 116.57 120.01 2kem h LYS 107 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 2kem h LYS 107 Cb 0.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.42 2kem h LYS 107 CO 0.00 0.00 -0.80 0.34 -2.00 0.00 0.00 179.45 176.99 2kem n PHE 108 N -3.96 0.88 -0.05 0.07 -0.00 -1.02 -3.25 117.46 110.13 2kem n PHE 108 Ca 0.25 0.38 -0.11 0.00 -0.00 0.00 0.00 57.45 57.98 2kem n PHE 108 Cb 1.29 -0.86 -0.15 0.00 -0.00 0.00 0.00 39.48 39.77 2kem n PHE 108 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 2kem n ILE 109 N -4.55 1.54 -0.06 -2.13 5.41 0.15 -2.17 119.36 117.55 2kem n ILE 109 Ca -0.16 -0.79 -0.06 0.00 1.00 0.00 0.00 62.75 62.74 2kem n ILE 109 Cb 0.41 -0.93 -0.05 0.00 -0.71 0.00 0.00 39.64 38.36 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 0.01 0.00 1.00 4.38 0.87 0.49 0.36 113.55 120.66 2kem h SER 110 Ca -0.41 -0.30 -0.09 0.00 -1.23 0.00 0.00 61.79 59.77 2kem h SER 110 Cb 2.09 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.04 2kem h SER 110 CO 0.05 0.76 -0.41 0.50 -0.53 0.00 0.00 176.83 177.20 2kem h LYS 111 N -1.00 0.00 0.00 2.24 3.64 0.26 -3.38 116.57 118.34 2kem h LYS 111 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2kem h LYS 111 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2kem h LYS 111 CO -0.02 0.41 -0.75 -1.71 -2.27 0.00 0.00 179.45 175.11 2kem n ASN 112 N -3.45 1.66 -2.23 4.20 4.05 -1.20 -4.98 115.26 113.31 2kem n ASN 112 Ca 0.00 0.27 0.00 0.00 0.45 0.00 0.00 54.58 55.31 2kem n ASN 112 Cb 0.57 -0.65 0.00 0.00 1.23 0.00 0.00 39.78 40.93 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 -4.16 -5.58 -0.55 1.20 4.01 0.12 -4.96 118.16 108.24 2kem n LYS 113 Ca -0.11 3.98 -0.02 0.00 -0.51 0.00 0.00 58.31 61.66 2kem n LYS 113 Cb 0.39 -4.59 -0.02 0.00 -0.51 0.00 0.00 35.03 30.30 2kem n LYS 113 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 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 -0.18 0.61 0.11 -1.26 -4.44 120.40 115.23 2kem s VAL 115 Ca 0.00 -0.03 -0.07 0.00 -2.93 0.00 0.00 61.98 58.95 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 0.06 -0.55 -3.33 0.00 0.00 175.10 171.28 2kem s SER 116 N -2.64 5.61 -0.23 3.54 0.15 -1.06 -4.95 113.70 114.12 2kem s SER 116 Ca 0.03 0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.74 2kem s SER 116 Cb -0.01 -1.96 0.07 0.00 -1.71 0.00 0.00 66.02 62.41 2kem s SER 116 CO -0.11 0.17 0.03 -0.76 1.20 0.00 0.00 173.24 173.77 2kem s LEU 117 N 0.37 1.72 -0.59 3.45 2.01 -1.05 0.13 118.68 124.72 2kem s LEU 117 Ca 0.03 -1.06 0.02 0.00 0.01 0.00 0.00 54.13 53.13 2kem s LEU 117 Cb -0.12 -0.79 0.15 0.00 0.01 0.00 0.00 46.19 45.44 2kem s LEU 117 CO 0.00 -0.31 0.37 0.00 1.01 0.00 0.00 176.35 177.42 2kem s ILE 119 N -0.46 4.53 0.14 0.00 1.09 -0.53 0.65 121.20 126.64 2kem s ILE 119 Ca 0.19 -0.01 -0.30 0.00 -1.10 0.00 0.00 60.65 59.43 2kem s ILE 119 Cb -0.21 -4.48 -0.07 0.00 -1.06 0.00 0.00 42.46 36.65 2kem s ILE 119 CO -0.04 -1.04 1.11 -0.54 -0.10 0.00 0.00 174.94 174.33 2kem s LYS 120 N 3.55 4.56 -0.08 2.79 -0.14 0.22 -1.26 119.74 129.38 2kem s LYS 120 Ca 0.25 1.70 -0.01 0.00 -1.36 0.00 0.00 55.97 56.55 2kem s LYS 120 Cb -0.15 -3.30 0.03 0.00 -1.68 0.00 0.00 37.83 32.73 2kem s LYS 120 CO 0.16 0.01 -0.01 -0.08 -0.76 0.00 0.00 175.35 174.68 2kem s THR 121 N 0.08 0.47 0.45 2.17 -1.32 0.05 0.10 115.64 117.65 2kem s THR 121 Ca 0.51 0.03 0.13 0.00 -1.21 0.00 0.00 61.69 61.15 2kem s THR 121 Cb -0.29 -0.63 0.20 0.00 -1.51 0.00 0.00 72.50 70.28 2kem s THR 121 CO 0.33 0.25 2.02 0.00 -2.21 0.00 0.00 174.62 175.01 2kem h ALA 122 N 8.30 1.73 -2.10 11.08 0.00 -0.70 0.14 119.26 137.71 2kem h ALA 122 Ca -0.21 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.60 2kem h ALA 122 Cb 1.13 -0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.66 2kem h ALA 122 CO 0.28 0.20 -0.11 0.50 0.00 0.00 0.00 179.25 180.13 2kem s ARG 123 N -4.82 0.59 -0.93 0.00 3.52 -0.76 -4.66 118.95 111.89 2kem s ARG 123 Ca -0.05 1.28 -0.24 0.00 -0.13 0.00 0.00 55.73 56.59 2kem s ARG 123 Cb 0.16 0.48 -0.03 0.00 -1.56 0.00 0.00 34.95 34.00 2kem s ARG 123 CO 0.70 -0.18 1.85 0.42 -0.81 0.00 0.00 175.30 177.27 2kem s ILE 124 N 2.28 3.54 0.50 4.11 1.01 -1.26 -3.15 121.20 128.24 2kem s ILE 124 Ca -0.07 -0.45 -0.23 0.00 0.00 0.00 0.00 60.65 59.89 2kem s ILE 124 Cb -0.09 -4.22 -0.07 0.00 0.01 0.00 0.00 42.46 38.09 2kem s ILE 124 CO -0.18 -1.15 1.35 0.00 0.00 0.00 0.00 174.94 174.96 2kem n TYR 125 N 12.95 2.34 -3.40 3.97 9.36 -1.26 -4.81 117.16 136.32 2kem n TYR 125 Ca 0.39 0.44 -0.45 0.00 3.32 0.00 0.00 57.90 61.60 2kem n TYR 125 Cb 0.48 -2.39 -0.03 0.00 -0.63 0.00 0.00 39.34 36.77 2kem n TYR 125 CO 0.00 0.00 0.00 0.16 0.22 0.00 0.00 176.86 177.24 2kem s ASP 126 N -0.74 6.50 0.49 2.98 -4.77 -1.26 -2.68 116.67 117.18 2kem s ASP 126 Ca 0.67 -2.71 0.00 0.00 -3.30 0.00 0.00 52.55 47.21 2kem s ASP 126 Cb -0.44 -2.15 0.00 0.00 -1.09 0.00 0.00 42.92 39.24 2kem s ASP 126 CO 0.53 -0.54 0.00 -0.67 0.70 0.00 0.00 175.17 175.19 2kem n ASP 127 N 3.90 -0.91 0.05 2.11 -0.08 -1.26 -4.46 116.55 115.90 2kem n ASP 127 Ca 0.12 -0.03 0.21 0.00 -1.51 0.00 0.00 54.79 53.58 2kem n ASP 127 Cb 0.45 0.00 0.74 0.00 2.34 0.00 0.00 41.12 44.65 2kem n ASP 127 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2kem h GLN 128 N 0.00 0.00 0.00 -0.67 1.08 -2.04 -1.62 115.11 111.86 2kem h GLN 128 Ca 0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 2kem h GLN 128 Cb 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 27.26 2kem h GLN 128 CO 0.00 0.00 -0.68 0.41 -0.95 0.00 0.00 178.83 177.61 2kem n GLY 129 N -1.54 2.84 1.54 3.46 0.00 -1.26 -5.11 105.19 105.12 2kem n GLY 129 Ca 0.09 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.34 -4.37 0.00 1.61 5.12 -0.61 -4.77 116.66 113.31 2kem n ARG 130 Ca 0.11 3.21 0.14 0.00 -1.93 0.00 0.00 57.85 59.38 2kem n ARG 130 Cb 0.88 -3.57 0.60 0.00 -1.16 0.00 0.00 32.46 29.22 2kem n ARG 130 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2kem n ALA 131 N -0.28 2.77 -0.34 7.54 0.00 -1.09 -4.10 120.51 125.00 2kem n ALA 131 Ca 0.00 -0.30 0.21 0.00 0.00 0.00 0.00 53.44 53.34 2kem n ALA 131 Cb 0.00 -1.30 0.43 0.00 0.00 0.00 0.00 19.45 18.57 2kem n ALA 131 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2kem h GLN 132 N 0.82 0.45 -0.03 0.00 3.07 -1.86 0.80 115.11 118.36 2kem h GLN 132 Ca 0.00 -0.03 -0.16 0.00 0.09 0.00 0.00 58.65 58.56 2kem h GLN 132 Cb 0.36 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 27.80 2kem h GLN 132 CO 0.00 0.30 -0.68 0.93 0.09 0.00 0.00 178.83 179.47 2kem h GLU 133 N 0.47 0.17 -0.05 0.06 5.08 -1.88 -2.02 114.58 116.40 2kem h GLU 133 Ca 0.68 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.93 2kem h GLU 133 Cb 1.43 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.68 2kem h GLU 133 CO -0.52 0.78 -0.11 0.78 -1.00 0.00 0.00 179.01 178.95 2kem h GLY 134 N 1.70 -0.09 2.00 -3.84 0.00 0.42 -2.33 103.07 100.94 2kem h GLY 134 Ca -0.02 0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.39 2kem h GLY 134 CO 0.10 -0.12 -0.29 1.41 0.00 0.00 0.00 176.54 177.64 2kem h LEU 135 N -0.16 0.00 0.27 3.11 4.07 -1.52 -2.86 115.31 118.22 2kem h LEU 135 Ca 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 2kem h LEU 135 Cb 0.25 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 2kem h LEU 135 CO -0.15 0.29 -0.29 0.08 -1.08 0.00 0.00 178.44 177.30 2kem h ARG 136 N 0.00 -0.54 -0.10 1.13 0.11 -0.83 1.37 114.38 115.51 2kem h ARG 136 Ca -0.00 0.04 -0.14 0.00 0.10 0.00 0.00 59.98 59.98 2kem h ARG 136 Cb 1.20 0.12 -0.01 0.00 1.11 0.00 0.00 29.97 32.39 2kem h ARG 136 CO 0.04 -0.36 -0.54 1.15 0.10 0.00 0.00 179.97 180.36 2kem h THR 137 N -0.56 1.35 0.12 0.08 2.02 -1.59 -2.08 112.91 112.25 2kem h THR 137 Ca -0.03 -1.82 -0.01 0.00 0.77 0.00 0.00 66.41 65.32 2kem h THR 137 Cb 0.49 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 2kem h THR 137 CO -0.04 0.54 -0.06 -0.07 0.37 0.00 0.00 175.52 176.26 2kem h LEU 138 N 0.23 -0.14 -1.70 2.58 3.38 -1.33 -1.61 115.31 116.71 2kem h LEU 138 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.13 2kem h LEU 138 Cb 1.02 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2kem h LEU 138 CO 0.09 -0.05 0.65 0.00 0.09 0.00 0.00 178.44 179.22 2kem h ALA 139 N -1.81 2.27 -0.04 1.53 0.00 1.15 1.42 119.26 123.78 2kem h ALA 139 Ca -0.02 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 2kem h ALA 139 Cb 0.13 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2kem h ALA 139 CO 0.03 -0.92 -0.72 0.93 0.00 0.00 0.00 179.25 178.56 2kem h GLU 140 N 0.00 0.24 0.00 0.00 4.39 -1.27 -3.40 114.58 114.54 2kem h GLU 140 Ca 0.25 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2kem h GLU 140 Cb 1.55 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.24 2kem h GLU 140 CO -0.00 0.86 0.00 0.00 -1.16 0.00 0.00 179.01 178.71 2kem n ALA 141 N -2.47 0.00 0.23 3.43 0.00 0.42 -4.97 120.51 117.14 2kem n ALA 141 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.53 2kem n ALA 141 Cb 0.70 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.41 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 0.35 -3.06 103.07 100.36 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 -2.11 0.00 -1.90 3.60 0.00 0.26 -4.51 120.51 115.84 2kem n ALA 143 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 2kem n ALA 143 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 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 2.36 -0.70 0.00 2.20 0.33 0.16 119.74 124.08 2kem s LYS 144 Ca 0.00 0.34 -0.27 0.00 -0.36 0.00 0.00 55.97 55.68 2kem s LYS 144 Cb 0.00 -4.74 0.03 0.00 -1.51 0.00 0.00 37.83 31.61 2kem s LYS 144 CO 0.00 -3.34 1.23 0.42 -0.36 0.00 0.00 175.35 173.30 2kem s ILE 145 N 10.82 3.83 0.62 5.43 -1.09 -1.26 -1.45 121.20 138.09 2kem s ILE 145 Ca 0.76 0.43 -0.04 0.00 -2.23 0.00 0.00 60.65 59.57 2kem s ILE 145 Cb -0.11 -4.86 0.03 0.00 -1.58 0.00 0.00 42.46 35.94 2kem s ILE 145 CO 0.11 -1.72 0.90 -0.44 -1.23 0.00 0.00 174.94 172.56 2kem s SER 146 N 3.58 5.25 -0.10 3.58 0.01 -0.39 -4.89 113.70 120.74 2kem s SER 146 Ca 0.35 0.44 -0.20 0.00 1.31 0.00 0.00 55.95 57.86 2kem s SER 146 Cb -0.09 -1.30 -0.04 0.00 0.21 0.00 0.00 66.02 64.80 2kem s SER 146 CO 0.17 -1.26 0.54 -0.63 0.41 0.00 0.00 173.24 172.46 2kem s ILE 147 N -3.01 5.15 -1.23 1.44 1.09 -1.26 -0.77 121.20 122.61 2kem s ILE 147 Ca 0.56 1.09 -0.11 0.00 -1.10 0.00 0.00 60.65 61.09 2kem s ILE 147 Cb -0.11 -3.88 0.19 0.00 -1.06 0.00 0.00 42.46 37.60 2kem s ILE 147 CO 0.43 0.30 1.60 0.80 -0.10 0.00 0.00 174.94 177.97 2kem n MET 148 N 3.71 3.56 -1.00 2.79 1.56 0.48 -4.64 117.12 123.58 2kem n MET 148 Ca -0.05 -3.81 0.00 0.00 -0.27 0.00 0.00 57.70 53.57 2kem n MET 148 Cb 0.52 -2.93 0.00 0.00 2.15 0.00 0.00 33.22 32.96 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 3.74 0.00 -0.33 1.12 -2.24 -1.26 -4.20 114.28 111.11 2kem n THR 149 Ca 0.36 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.29 2kem n THR 149 Cb 0.39 -0.94 0.30 0.00 -2.10 0.00 0.00 70.33 67.98 2kem n THR 149 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 2kem h TYR 150 N 0.06 0.01 0.31 4.78 -0.00 -1.87 3.87 116.97 124.13 2kem h TYR 150 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 58.73 58.78 2kem h TYR 150 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 36.73 36.89 2kem h TYR 150 CO 0.00 -0.41 -0.15 0.77 -0.00 0.00 0.00 178.16 178.37 2kem h SER 151 N 0.03 -0.36 0.77 0.10 0.02 -1.94 0.82 113.55 112.99 2kem h SER 151 Ca 0.60 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 2kem h SER 151 Cb 1.24 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2kem h SER 151 CO -0.89 -0.03 0.00 1.21 -1.14 0.00 0.00 176.83 175.98 2kem n GLU 152 N -5.16 0.14 0.01 3.45 4.07 -0.09 -2.67 120.64 120.39 2kem n GLU 152 Ca -0.10 0.32 -0.18 0.00 -0.06 0.00 0.00 57.16 57.15 2kem n GLU 152 Cb 0.26 -1.74 -0.14 0.00 -0.06 0.00 0.00 31.44 29.76 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 0.38 -0.95 4.31 3.57 0.78 0.65 116.94 125.68 2kem h PHE 153 Ca 0.00 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.23 2kem h PHE 153 Cb 0.38 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 2kem h PHE 153 CO 0.00 1.19 0.60 1.57 -2.23 0.00 0.00 178.31 179.44 2kem h LYS 154 N -0.53 1.28 -0.13 1.11 2.10 -0.68 1.30 116.57 121.02 2kem h LYS 154 Ca -0.09 -0.10 -0.22 0.00 -2.00 0.00 0.00 60.65 58.24 2kem h LYS 154 Cb 1.41 -0.28 0.01 0.00 -0.90 0.00 0.00 32.23 32.47 2kem h LYS 154 CO 0.10 0.87 -0.79 1.25 -2.00 0.00 0.00 179.45 178.88 2kem h HIS 155 N 1.31 0.98 -0.48 0.07 2.76 -1.56 -2.88 115.15 115.35 2kem h HIS 155 Ca 0.35 -0.44 -0.09 0.00 -2.20 0.00 0.00 60.37 57.98 2kem h HIS 155 Cb -0.10 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.70 2kem h HIS 155 CO 0.00 1.27 -0.07 0.00 -1.30 0.00 0.00 177.93 177.83 2kem h TRP 157 N 0.78 -0.48 0.00 0.00 2.91 0.17 -1.27 115.95 118.05 2kem h TRP 157 Ca 0.13 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.16 2kem h TRP 157 Cb 0.57 0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.41 2kem h TRP 157 CO 0.03 -0.22 0.00 -3.47 -1.03 0.00 0.00 178.44 173.75 2kem n ASP 158 N -3.37 0.00 -0.12 2.65 2.03 -1.09 0.17 116.55 116.82 2kem n ASP 158 Ca -0.04 0.35 -0.13 0.00 0.52 0.00 0.00 54.79 55.50 2kem n ASP 158 Cb 0.15 -0.41 -0.03 0.00 -0.72 0.00 0.00 41.12 40.11 2kem n ASP 158 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kem h THR 159 N 0.00 1.29 0.00 5.18 1.03 0.13 -3.41 112.91 117.14 2kem h THR 159 Ca 0.00 -1.41 0.00 0.00 -0.01 0.00 0.00 66.41 64.99 2kem h THR 159 Cb 0.15 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 68.64 2kem h THR 159 CO 0.00 0.47 -0.86 0.33 -0.01 0.00 0.00 175.52 175.45 2kem n PHE 160 N -4.22 0.00 -3.64 0.00 -0.00 -0.99 -4.87 117.46 103.74 2kem n PHE 160 Ca -0.03 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.03 2kem n PHE 160 Cb 0.46 0.00 -0.11 0.00 -0.00 0.00 0.00 39.48 39.84 2kem n PHE 160 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 2kem s VAL 161 N -1.86 4.17 0.08 -2.13 1.01 0.45 -2.78 120.40 119.34 2kem s VAL 161 Ca 0.00 -1.24 0.05 0.00 0.00 0.00 0.00 61.98 60.79 2kem s VAL 161 Cb 0.00 -3.47 -0.23 0.00 0.00 0.00 0.00 36.38 32.68 2kem s VAL 161 CO 0.00 -0.38 1.13 0.44 0.00 0.00 0.00 175.10 176.30 2kem h ASP 162 N 8.36 0.10 -0.87 3.32 5.19 -1.81 -3.00 116.42 127.72 2kem h ASP 162 Ca -0.23 -0.12 -0.12 0.00 -0.62 0.00 0.00 57.03 55.93 2kem h ASP 162 Cb 1.09 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.55 2kem h ASP 162 CO 0.70 1.10 -0.16 1.57 -3.12 0.00 0.00 179.24 179.33 2kem n HIS 163 N -3.35 -0.29 -0.65 4.55 -0.00 -1.26 -1.92 115.22 112.31 2kem n HIS 163 Ca -0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.13 2kem n HIS 163 Cb 0.98 -1.87 0.00 0.00 -0.12 0.00 0.00 29.99 28.98 2kem n HIS 163 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2kem n GLN 164 N -1.64 -0.44 0.00 1.57 6.02 -1.26 -2.78 117.38 118.85 2kem n GLN 164 Ca -0.07 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2kem n GLN 164 Cb 0.55 -4.45 0.00 0.00 1.02 0.00 0.00 30.24 27.36 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 -1.36 0.13 3.67 1.08 0.00 -1.16 -5.12 105.19 102.43 2kem n GLY 165 Ca 0.00 0.00 -0.42 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 0.00 3.63 0.00 4.61 0.00 -0.81 -4.95 121.76 124.24 2kem s ALA 166 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.92 2kem s ALA 166 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2kem s ALA 166 CO 0.00 -1.20 0.74 -2.30 0.00 0.00 0.00 175.76 173.00 2kem n PRO 167 N 6.34 0.00 -4.15 0.00 -0.02 -1.26 -4.44 135.00 131.47 2kem n PRO 167 Ca 0.16 0.48 -0.14 0.00 -2.02 0.00 0.00 63.50 61.97 2kem n PRO 167 Cb 0.43 -1.36 -0.11 0.00 -0.02 0.00 0.00 33.50 32.44 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 -2.44 0.98 -0.05 6.00 0.08 -1.26 -4.25 117.98 117.04 2kem s PHE 168 Ca 0.00 -0.61 -0.03 0.00 0.12 0.00 0.00 56.93 56.40 2kem s PHE 168 Cb 0.00 -0.55 -0.04 0.00 -0.57 0.00 0.00 43.02 41.86 2kem s PHE 168 CO 0.00 -0.02 0.12 -1.14 -0.10 0.00 0.00 175.22 174.08 2kem s GLN 169 N -2.46 3.30 0.00 0.44 2.00 -1.26 -5.04 119.66 116.63 2kem s GLN 169 Ca 0.01 -0.31 0.00 0.00 -2.00 0.00 0.00 55.36 53.06 2kem s GLN 169 Cb -0.05 -3.03 0.00 0.00 0.80 0.00 0.00 33.01 30.73 2kem s GLN 169 CO 0.00 0.70 0.00 -0.35 -0.50 0.00 0.00 175.29 175.15 2kem n PRO 170 N 1.46 0.00 0.00 1.67 -0.04 -1.26 -4.38 135.00 132.45 2kem n PRO 170 Ca -0.15 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2kem n PRO 170 Cb 0.53 -0.68 0.00 0.00 -0.04 0.00 0.00 33.50 33.31 2kem n PRO 170 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 2kem n TRP 171 N -1.90 0.00 0.00 0.54 -0.00 -1.26 -4.81 117.44 110.02 2kem n TRP 171 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2kem n TRP 171 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 2kem n TRP 171 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 2kem n ASP 172 N 9.67 0.00 -0.29 5.87 2.03 -1.26 -4.94 116.55 127.64 2kem n ASP 172 Ca 0.00 0.00 0.24 0.00 0.52 0.00 0.00 54.79 55.55 2kem n ASP 172 Cb 0.00 0.00 0.56 0.00 -0.72 0.00 0.00 41.12 40.96 2kem n ASP 172 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2kem h GLY 173 N 0.00 0.85 2.00 0.27 0.00 -1.92 1.11 103.07 105.38 2kem h GLY 173 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2kem h GLY 173 CO 0.00 -0.07 0.00 1.47 0.00 0.00 0.00 176.54 177.94 2kem n LEU 174 N -4.50 0.62 0.03 3.11 -0.00 -1.26 -1.20 117.00 113.79 2kem n LEU 174 Ca 0.23 0.70 -0.17 0.00 -0.00 0.00 0.00 56.01 56.77 2kem n LEU 174 Cb 0.88 -0.68 -0.07 0.00 -0.00 0.00 0.00 43.42 43.54 2kem n LEU 174 CO 0.30 -0.72 0.17 -0.78 -0.00 0.00 0.00 177.39 176.36 2kem h ASP 175 N 0.00 0.83 -0.20 1.45 1.82 0.90 -0.06 116.42 121.16 2kem h ASP 175 Ca 0.00 -0.62 -0.00 0.00 -0.39 0.00 0.00 57.03 56.02 2kem h ASP 175 Cb 0.21 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 39.96 2kem h ASP 175 CO 0.00 1.41 0.12 -0.08 -1.61 0.00 0.00 179.24 179.08 2kem h GLU 176 N 0.41 0.27 0.00 0.28 4.81 -1.14 -0.01 114.58 119.20 2kem h GLU 176 Ca -0.09 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2kem h GLU 176 Cb 1.56 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.88 2kem h GLU 176 CO 0.18 0.23 -0.02 0.45 -0.73 0.00 0.00 179.01 179.12 2kem h HIS 177 N 0.24 0.00 0.21 0.92 3.86 -1.46 -2.38 115.15 116.55 2kem h HIS 177 Ca 0.07 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2kem h HIS 177 Cb 0.02 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 2kem h HIS 177 CO -0.05 0.02 -0.16 1.03 0.86 0.00 0.00 177.93 179.63 2kem h SER 178 N 0.00 -0.41 0.57 2.45 0.87 0.99 2.85 113.55 120.87 2kem h SER 178 Ca -0.00 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.46 2kem h SER 178 Cb 0.44 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 2kem h SER 178 CO 0.00 -0.25 -0.63 0.06 -0.53 0.00 0.00 176.83 175.48 2kem h GLN 179 N -0.38 0.06 0.00 2.24 3.07 -1.31 -2.12 115.11 116.67 2kem h GLN 179 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.69 2kem h GLN 179 Cb 0.33 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.90 2kem h GLN 179 CO -0.00 0.67 -0.00 -0.44 0.09 0.00 0.00 178.83 179.14 2kem h ASP 180 N 0.04 0.00 -0.63 0.06 3.32 -0.98 -2.38 116.42 115.86 2kem h ASP 180 Ca -0.01 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.15 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 -0.32 0.25 -1.72 0.00 0.00 179.24 177.55 2kem h LEU 181 N -0.04 -1.14 -0.22 1.55 6.46 0.49 0.46 115.31 122.88 2kem h LEU 181 Ca 0.00 0.23 0.01 0.00 -0.12 0.00 0.00 57.88 58.00 2kem h LEU 181 Cb 0.00 0.58 -0.02 0.00 -0.73 0.00 0.00 40.66 40.49 2kem h LEU 181 CO 0.00 -0.30 0.13 -1.28 -0.62 0.00 0.00 178.44 176.37 2kem h SER 182 N -0.14 0.20 -0.16 1.25 0.87 -1.33 0.18 113.55 114.43 2kem h SER 182 Ca 0.25 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.86 2kem h SER 182 Cb 0.55 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2kem h SER 182 CO -0.70 0.15 0.16 1.23 -0.53 0.00 0.00 176.83 177.13 2kem h GLY 183 N 0.26 0.00 0.54 5.77 0.00 -0.39 -1.21 103.07 108.04 2kem h GLY 183 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 2kem h GLY 183 CO -0.04 0.00 -0.33 3.21 0.00 0.00 0.00 176.54 179.38 2kem h ARG 184 N 0.00 0.23 -0.89 4.80 3.08 0.17 -1.81 114.38 119.96 2kem h ARG 184 Ca 0.07 -0.24 0.21 0.00 0.07 0.00 0.00 59.98 60.10 2kem h ARG 184 Cb 0.39 0.07 -0.12 0.00 0.08 0.00 0.00 29.97 30.38 2kem h ARG 184 CO -0.00 0.95 0.40 -0.07 -1.07 0.00 0.00 179.97 180.19 2kem h LEU 185 N -0.39 0.36 -0.73 3.04 4.07 0.13 1.68 115.31 123.47 2kem h LEU 185 Ca -0.04 0.15 -0.10 0.00 0.08 0.00 0.00 57.88 57.97 2kem h LEU 185 Cb 1.06 0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 2kem h LEU 185 CO 0.06 0.02 -0.48 0.03 -1.08 0.00 0.00 178.44 177.00 2kem h ARG 186 N 0.43 0.00 0.00 1.13 -0.00 -1.46 0.13 114.38 114.61 2kem h ARG 186 Ca 0.55 0.00 -0.22 0.00 -0.50 0.00 0.00 59.98 59.81 2kem h ARG 186 Cb 1.02 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.96 2kem h ARG 186 CO -0.51 0.48 -1.29 0.00 0.00 0.00 0.00 179.97 178.65 2kem h ALA 187 N 1.52 0.61 0.10 0.04 0.00 0.17 -3.34 119.26 118.35 2kem h ALA 187 Ca -0.00 -1.06 -0.36 0.00 0.00 0.00 0.00 54.91 53.48 2kem h ALA 187 Cb 1.06 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2kem h ALA 187 CO 0.06 1.25 -2.01 0.44 0.00 0.00 0.00 179.25 178.99 2kem n ILE 188 N -3.13 1.74 -0.18 0.00 -5.35 0.49 0.51 119.36 113.43 2kem n ILE 188 Ca -0.08 -0.67 -0.01 0.00 -0.27 0.00 0.00 62.75 61.72 2kem n ILE 188 Cb 0.94 -1.61 0.07 0.00 -1.74 0.00 0.00 39.64 37.30 2kem n ILE 188 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2kem h LEU 189 N 0.06 -0.26 -3.18 7.28 -0.00 -0.89 -2.75 115.31 115.56 2kem h LEU 189 Ca -0.42 0.14 -0.12 0.00 -0.00 0.00 0.00 57.88 57.48 2kem h LEU 189 Cb 2.02 0.24 -0.11 0.00 -0.00 0.00 0.00 40.66 42.81 2kem h LEU 189 CO 0.07 -0.10 -0.61 0.00 -0.00 0.00 0.00 178.44 177.81 2kem n GLN 190 N -5.26 1.83 -2.24 1.13 6.02 -1.25 -4.75 117.38 112.86 2kem n GLN 190 Ca 0.07 -3.37 -0.10 0.00 -0.01 0.00 0.00 57.00 53.58 2kem n GLN 190 Cb 0.30 -1.61 -0.01 0.00 1.02 0.00 0.00 30.24 29.93 2kem n GLN 190 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2kem n ASN 191 N -0.91 -3.34 -4.55 1.08 5.15 -1.01 -4.81 115.26 106.86 2kem n ASN 191 Ca 0.22 0.24 -0.35 0.00 -0.60 0.00 0.00 54.58 54.10 2kem n ASN 191 Cb 0.78 -2.92 -0.04 0.00 -0.53 0.00 0.00 39.78 37.07 2kem n ASN 191 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2kem s GLN 192 N -4.63 2.57 0.31 1.20 -1.52 0.18 -4.92 119.66 112.84 2kem s GLN 192 Ca 0.00 0.38 0.00 0.00 -1.95 0.00 0.00 55.36 53.79 2kem s GLN 192 Cb 0.00 -4.60 -0.00 0.00 -0.22 0.00 0.00 33.01 28.19 2kem s GLN 192 CO 0.00 -2.97 0.01 0.39 -0.25 0.00 0.00 175.29 172.47 2kem n GLU 193 N 9.08 1.19 -0.53 2.91 -0.58 -1.26 -4.10 120.64 127.35 2kem n GLU 193 Ca 0.27 -2.27 0.00 0.00 -0.42 0.00 0.00 57.16 54.74 2kem n GLU 193 Cb 0.51 0.66 0.00 0.00 -0.57 0.00 0.00 31.44 32.04 2kem n GLU 193 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94