#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kem n ILE 2 N 0.00 0.00 -0.07 -3.67 2.08 0.18 -4.62 119.36 113.25 2kem n ILE 2 Ca 0.00 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.23 2kem n ILE 2 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 39.64 38.78 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 0.00 0.33 0.02 1.39 0.00 -1.26 -0.88 117.00 116.60 2kem n LEU 3 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 56.01 56.01 2kem n LEU 3 Cb 0.00 0.25 -0.10 0.00 0.00 0.00 0.00 43.42 43.57 2kem n LEU 3 CO 0.00 0.41 -0.44 -1.14 0.00 0.00 0.00 177.39 176.21 2kem n ARG 4 N -2.59 0.63 -0.11 1.96 0.63 -1.26 -4.45 116.66 111.47 2kem n ARG 4 Ca -0.25 0.12 -0.21 0.00 -0.92 0.00 0.00 57.85 56.59 2kem n ARG 4 Cb 0.96 -1.73 -0.09 0.00 0.45 0.00 0.00 32.46 32.05 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 -2.76 0.64 0.00 -0.14 8.25 -1.26 -4.98 115.22 114.96 2kem n HIS 5 Ca -0.11 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 2kem n HIS 5 Cb 0.81 -0.98 0.00 0.00 1.12 0.00 0.00 29.99 30.94 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 -3.03 0.41 3.41 -1.15 -4.73 113.62 104.12 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 0.67 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 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 -0.50 1.49 -4.29 4.33 1.56 -0.06 -0.65 117.12 119.00 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 -0.10 0.00 2.15 0.00 0.00 33.22 35.27 2kem n MET 7 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2kem s ASP 8 N -1.03 5.23 0.24 6.12 1.01 -1.26 -4.84 116.67 122.14 2kem s ASP 8 Ca 0.00 0.06 -0.15 0.00 0.71 0.00 0.00 52.55 53.18 2kem s ASP 8 Cb 0.00 -1.67 0.29 0.00 1.01 0.00 0.00 42.92 42.55 2kem s ASP 8 CO 0.00 0.28 1.56 -0.65 0.21 0.00 0.00 175.17 176.57 2kem h PRO 9 N 5.90 -0.02 -0.99 8.23 0.10 -1.97 0.64 132.00 143.88 2kem h PRO 9 Ca -0.43 0.00 -0.00 0.00 0.10 0.00 0.00 66.00 65.67 2kem h PRO 9 Cb 1.19 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 32.29 2kem h PRO 9 CO 0.60 -0.01 0.00 -0.35 0.10 0.00 0.00 178.00 178.34 2kem n PRO 10 N -5.51 1.06 -0.06 1.05 -0.04 -1.26 -3.09 135.00 127.14 2kem n PRO 10 Ca 0.11 -0.05 -0.06 0.00 -0.04 0.00 0.00 63.50 63.46 2kem n PRO 10 Cb 0.42 -1.44 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.08 1.08 -0.13 0.52 -1.04 0.22 -4.45 114.28 110.57 2kem n THR 11 Ca 0.01 0.25 -0.27 0.00 -2.04 0.00 0.00 64.05 62.00 2kem n THR 11 Cb 0.30 -2.13 -0.11 0.00 -1.82 0.00 0.00 70.33 66.58 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 -3.94 0.22 0.22 -1.42 3.01 -1.24 -2.16 117.46 112.14 2kem n PHE 12 Ca -0.09 0.09 0.18 0.00 1.01 0.00 0.00 57.45 58.64 2kem n PHE 12 Cb 0.33 -1.02 0.84 0.00 -0.01 0.00 0.00 39.48 39.62 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 -0.86 0.30 0.00 4.37 1.35 -1.81 1.57 112.91 117.83 2kem h THR 13 Ca -0.62 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.22 2kem h THR 13 Cb 1.61 0.76 -0.00 0.00 -1.73 0.00 0.00 68.15 68.79 2kem h THR 13 CO -0.34 0.00 -0.63 0.33 -0.25 0.00 0.00 175.52 174.63 2kem n PHE 14 N -3.51 0.83 -0.13 4.73 7.35 -1.24 -3.95 117.46 121.54 2kem n PHE 14 Ca 0.02 0.36 -0.10 0.00 -0.76 0.00 0.00 57.45 56.96 2kem n PHE 14 Cb 0.39 -0.77 -0.02 0.00 0.35 0.00 0.00 39.48 39.44 2kem n PHE 14 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 2kem h ASN 15 N -1.00 0.64 -0.55 -2.13 -1.24 -1.05 -3.09 115.58 107.16 2kem h ASN 15 Ca -0.03 -0.30 0.06 0.00 0.71 0.00 0.00 56.30 56.74 2kem h ASN 15 Cb 0.62 -0.17 -0.06 0.00 0.73 0.00 0.00 38.32 39.45 2kem h ASN 15 CO -0.02 0.79 0.24 2.19 -1.29 0.00 0.00 177.43 179.34 2kem h PHE 16 N 0.48 0.44 -0.96 0.67 -0.00 0.21 -2.90 116.94 114.87 2kem h PHE 16 Ca 0.11 0.02 -0.23 0.00 -0.00 0.00 0.00 57.97 57.87 2kem h PHE 16 Cb 0.46 -0.11 -0.00 0.00 -0.00 0.00 0.00 35.95 36.29 2kem h PHE 16 CO 0.04 0.17 0.78 1.21 -0.00 0.00 0.00 178.31 180.51 2kem s ASN 17 N -5.45 4.22 -0.53 -0.68 3.84 -1.17 -3.46 114.94 111.71 2kem s ASN 17 Ca -0.13 0.45 -0.18 0.00 0.21 0.00 0.00 52.86 53.21 2kem s ASN 17 Cb 0.15 -2.53 0.02 0.00 -0.55 0.00 0.00 41.25 38.35 2kem s ASN 17 CO 0.74 -3.36 0.64 -3.20 -2.79 0.00 0.00 177.10 169.12 2kem n ASN 18 N 17.10 -7.00 -3.03 -4.21 2.85 -1.26 -4.51 115.26 115.20 2kem n ASN 18 Ca 0.41 0.11 -0.23 0.00 -0.11 0.00 0.00 54.58 54.76 2kem n ASN 18 Cb 0.49 -4.05 -0.12 0.00 1.24 0.00 0.00 39.78 37.33 2kem n ASN 18 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2kem n GLU 19 N -0.75 0.00 0.00 1.20 1.02 -1.10 -4.88 120.64 116.14 2kem n GLU 19 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kem n GLU 19 Cb 0.55 -0.89 0.00 0.00 -0.02 0.00 0.00 31.44 31.07 2kem n GLU 19 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2kem n PRO 20 N 5.03 0.16 -1.05 3.49 -0.04 -1.26 -4.97 135.00 136.37 2kem n PRO 20 Ca 0.45 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 64.04 2kem n PRO 20 Cb 0.05 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.45 2kem n PRO 20 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 2kem n TRP 21 N -1.33 -2.76 -0.92 0.54 -0.00 -1.26 -4.89 117.44 106.82 2kem n TRP 21 Ca 0.00 1.48 -0.33 0.00 -0.00 0.00 0.00 57.50 58.65 2kem n TRP 21 Cb 0.00 -2.51 0.03 0.00 -0.00 0.00 0.00 31.31 28.83 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 -3.77 0.00 0.12 5.87 0.24 -1.26 -4.90 118.33 114.64 2kem n VAL 22 Ca -0.05 -0.38 -0.20 0.00 -2.04 0.00 0.00 64.34 61.67 2kem n VAL 22 Cb 0.49 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.72 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 -0.92 0.44 -2.71 7.34 2.47 -1.90 -3.42 114.38 115.68 2kem h ARG 23 Ca -0.39 -0.71 -0.53 0.00 -1.26 0.00 0.00 59.98 57.08 2kem h ARG 23 Cb 1.21 0.26 -0.39 0.00 -1.65 0.00 0.00 29.97 29.39 2kem h ARG 23 CO 0.21 1.33 -0.79 0.20 0.56 0.00 0.00 179.97 181.48 2kem s GLY 24 N -4.59 0.53 0.00 0.04 0.00 -1.23 -3.72 107.32 98.34 2kem s GLY 24 Ca -0.07 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.44 2kem s GLY 24 CO 0.92 2.11 0.00 0.54 0.00 0.00 0.00 173.10 176.66 2kem n ARG 25 N 4.99 0.00 -1.38 2.90 1.74 -1.26 -4.97 116.66 118.67 2kem n ARG 25 Ca -0.02 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.75 2kem n ARG 25 Cb 0.41 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.93 2kem n ARG 25 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2kem s HIS 26 N 0.00 2.66 -0.28 -1.55 2.46 -1.26 -4.85 115.29 112.47 2kem s HIS 26 Ca 0.00 1.54 -0.05 0.00 0.47 0.00 0.00 55.06 57.02 2kem s HIS 26 Cb 0.00 -3.04 -0.15 0.00 -0.13 0.00 0.00 32.58 29.26 2kem s HIS 26 CO 0.00 -1.70 2.51 0.39 -2.47 0.00 0.00 174.74 173.48 2kem n GLU 27 N -3.29 1.62 -0.50 2.88 4.71 -1.26 -4.57 120.64 120.23 2kem n GLU 27 Ca 0.09 -0.91 -0.19 0.00 -0.01 0.00 0.00 57.16 56.14 2kem n GLU 27 Cb 0.53 -2.01 -0.02 0.00 -1.01 0.00 0.00 31.44 28.93 2kem n GLU 27 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 2kem n THR 28 N 3.02 0.30 -3.72 2.62 5.66 -1.26 -4.65 114.28 116.25 2kem n THR 28 Ca 0.35 -0.08 -0.17 0.00 -3.05 0.00 0.00 64.05 61.10 2kem n THR 28 Cb 0.49 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.10 2kem n THR 28 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 2kem s TYR 29 N -0.15 0.04 -0.06 1.09 6.14 -1.26 -2.57 117.35 120.58 2kem s TYR 29 Ca 0.27 0.20 0.04 0.00 0.64 0.00 0.00 57.07 58.23 2kem s TYR 29 Cb -0.39 -0.36 -0.00 0.00 0.42 0.00 0.00 41.96 41.63 2kem s TYR 29 CO 0.20 -0.14 -0.19 -0.48 0.64 0.00 0.00 175.55 175.57 2kem s LEU 30 N 1.62 1.95 -0.03 6.97 0.05 -0.28 -4.33 118.68 124.62 2kem s LEU 30 Ca -0.02 -0.41 -0.21 0.00 0.05 0.00 0.00 54.13 53.54 2kem s LEU 30 Cb -0.13 -1.11 -0.05 0.00 -2.05 0.00 0.00 46.19 42.86 2kem s LEU 30 CO -0.03 0.16 0.60 0.00 -0.55 0.00 0.00 176.35 176.53 2kem s TYR 32 N 0.06 3.43 -0.14 0.00 1.13 -1.12 0.10 117.35 120.81 2kem s TYR 32 Ca 0.32 0.29 -0.03 0.00 -1.41 0.00 0.00 57.07 56.24 2kem s TYR 32 Cb -0.18 -1.79 0.05 0.00 -1.10 0.00 0.00 41.96 38.94 2kem s TYR 32 CO 0.17 0.61 0.06 -2.00 -2.51 0.00 0.00 175.55 171.87 2kem s GLU 33 N -1.82 0.27 0.08 -3.49 2.12 -0.58 -2.59 118.70 112.71 2kem s GLU 33 Ca 0.25 -0.08 0.08 0.00 0.36 0.00 0.00 54.97 55.58 2kem s GLU 33 Cb -0.12 -1.60 -0.03 0.00 0.26 0.00 0.00 34.13 32.64 2kem s GLU 33 CO 0.16 -0.56 -0.21 0.14 -0.54 0.00 0.00 175.26 174.25 2kem s VAL 34 N 2.04 1.69 0.49 3.70 -7.23 0.78 0.23 120.40 122.10 2kem s VAL 34 Ca 0.02 -1.43 0.07 0.00 -1.81 0.00 0.00 61.98 58.82 2kem s VAL 34 Cb -0.15 -1.52 0.01 0.00 0.56 0.00 0.00 36.38 35.28 2kem s VAL 34 CO -0.07 0.02 0.41 -1.61 -0.31 0.00 0.00 175.10 173.53 2kem s GLU 35 N -1.68 2.36 -0.27 4.82 2.02 -0.86 -4.46 118.70 120.62 2kem s GLU 35 Ca 0.07 -1.80 -0.06 0.00 0.02 0.00 0.00 54.97 53.20 2kem s GLU 35 Cb -0.10 -2.23 0.00 0.00 0.10 0.00 0.00 34.13 31.90 2kem s GLU 35 CO 0.03 -0.44 0.05 1.03 0.02 0.00 0.00 175.26 175.95 2kem s ARG 36 N -4.22 3.20 -0.39 1.61 0.52 -0.51 -1.70 118.95 117.46 2kem s ARG 36 Ca 0.42 -0.77 -0.16 0.00 -0.52 0.00 0.00 55.73 54.70 2kem s ARG 36 Cb -0.02 -3.27 0.01 0.00 0.52 0.00 0.00 34.95 32.18 2kem s ARG 36 CO 0.25 -0.36 0.38 -1.64 0.02 0.00 0.00 175.30 173.95 2kem s MET 37 N 1.50 3.23 -0.81 3.54 -1.94 0.26 0.42 119.30 125.49 2kem s MET 37 Ca 0.03 -0.70 0.02 0.00 -1.71 0.00 0.00 55.69 53.34 2kem s MET 37 Cb -0.16 -3.91 0.29 0.00 2.01 0.00 0.00 34.83 33.05 2kem s MET 37 CO 0.01 -0.72 1.11 0.72 -0.01 0.00 0.00 175.02 176.14 2kem n HIS 38 N 5.44 3.16 -3.96 -0.03 8.25 -0.94 -3.73 115.22 123.41 2kem n HIS 38 Ca -0.09 -3.47 -0.26 0.00 -0.26 0.00 0.00 57.72 53.64 2kem n HIS 38 Cb 0.48 -0.83 -0.02 0.00 1.12 0.00 0.00 29.99 30.74 2kem n HIS 38 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2kem n ASN 39 N 0.77 -0.59 0.00 0.41 2.85 -1.26 -2.92 115.26 114.51 2kem n ASN 39 Ca 0.30 -1.03 0.00 0.00 -0.11 0.00 0.00 54.58 53.75 2kem n ASN 39 Cb 0.37 -2.98 0.00 0.00 1.24 0.00 0.00 39.78 38.41 2kem n ASN 39 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2kem n ASP 40 N -2.95 0.00 -4.91 1.20 -0.08 -1.26 -5.12 116.55 103.43 2kem n ASP 40 Ca -0.30 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.71 2kem n ASP 40 Cb 0.68 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.15 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 -0.86 4.46 -0.43 5.18 2.01 -1.15 -5.07 115.64 119.79 2kem s THR 41 Ca 0.00 0.19 0.06 0.00 0.31 0.00 0.00 61.69 62.25 2kem s THR 41 Cb 0.00 -3.73 0.18 0.00 0.01 0.00 0.00 72.50 68.96 2kem s THR 41 CO 0.00 -0.75 0.56 -1.66 -0.69 0.00 0.00 174.62 172.09 2kem s TRP 42 N -2.86 -1.11 -0.91 4.92 -2.14 -0.86 -2.23 118.94 113.74 2kem s TRP 42 Ca 0.50 -0.43 -0.24 0.00 2.66 0.00 0.00 56.10 58.59 2kem s TRP 42 Cb -0.10 0.03 0.02 0.00 -3.10 0.00 0.00 33.47 30.32 2kem s TRP 42 CO 0.46 -1.12 1.55 0.08 -2.66 0.00 0.00 176.95 175.26 2kem s VAL 43 N 1.36 3.75 0.00 -0.66 1.01 0.17 -4.65 120.40 121.37 2kem s VAL 43 Ca 0.21 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2kem s VAL 43 Cb -0.06 -4.74 0.00 0.00 0.00 0.00 0.00 36.38 31.59 2kem s VAL 43 CO -0.06 -1.65 0.23 2.29 0.00 0.00 0.00 175.10 175.91 2kem n LYS 44 N 8.99 0.00 0.00 2.72 0.00 -1.26 -1.42 118.16 127.19 2kem n LYS 44 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.59 2kem n LYS 44 Cb 0.50 -0.67 0.00 0.00 -0.00 0.00 0.00 35.03 34.86 2kem n LYS 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2kem n LEU 45 N -0.33 0.00 -2.42 -5.58 4.77 -1.26 -3.38 117.00 108.79 2kem n LEU 45 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 2kem n LEU 45 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2kem n LEU 45 CO 0.00 -0.95 1.52 -0.46 -1.33 0.00 0.00 177.39 176.17 2kem n ASN 46 N -3.19 6.60 -4.16 -1.43 6.94 -1.26 -4.83 115.26 113.93 2kem n ASN 46 Ca 0.00 -3.25 -0.43 0.00 -0.02 0.00 0.00 54.58 50.88 2kem n ASN 46 Cb 0.00 -1.18 0.00 0.00 -2.36 0.00 0.00 39.78 36.24 2kem n ASN 46 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kem n GLN 47 N 0.62 3.27 -3.43 -3.83 6.02 -1.22 -4.84 117.38 113.97 2kem n GLN 47 Ca 0.47 -3.32 -0.14 0.00 -0.01 0.00 0.00 57.00 54.00 2kem n GLN 47 Cb 0.54 -3.19 -0.11 0.00 1.02 0.00 0.00 30.24 28.50 2kem n GLN 47 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2kem s ARG 48 N 2.32 0.27 0.00 -1.09 1.70 -1.26 -0.16 118.95 120.73 2kem s ARG 48 Ca 0.46 0.39 0.00 0.00 -0.47 0.00 0.00 55.73 56.11 2kem s ARG 48 Cb 0.06 -0.81 0.00 0.00 -0.57 0.00 0.00 34.95 33.64 2kem s ARG 48 CO -0.00 -0.63 0.14 -2.13 -1.08 0.00 0.00 175.30 171.60 2kem n ARG 49 N 5.34 4.53 0.00 3.89 0.63 -1.07 -4.98 116.66 125.01 2kem n ARG 49 Ca -0.05 -0.14 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 2kem n ARG 49 Cb 0.50 -0.63 0.00 0.00 0.45 0.00 0.00 32.46 32.78 2kem n ARG 49 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kem n GLY 50 N 0.69 1.48 0.00 5.14 0.00 -1.09 -4.86 105.19 106.55 2kem n GLY 50 Ca 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.13 -2.79 117.46 121.42 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 -3.15 -2.13 7.99 -1.19 -4.69 117.00 113.83 2kem n LEU 52 Ca 0.00 -1.43 0.00 0.00 -0.01 0.00 0.00 56.01 54.57 2kem n LEU 52 Cb 0.00 -0.85 -0.01 0.00 -0.11 0.00 0.00 43.42 42.45 2kem n LEU 52 CO 0.00 -1.27 0.09 0.00 -1.51 0.00 0.00 177.39 174.70 2kem s ALA 53 N -3.80 -2.31 0.05 -1.18 0.00 -1.26 -1.13 121.76 112.14 2kem s ALA 53 Ca 0.66 0.12 0.09 0.00 0.00 0.00 0.00 51.96 52.83 2kem s ALA 53 Cb -0.02 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 2kem s ALA 53 CO 0.46 -2.22 -0.26 1.21 0.00 0.00 0.00 175.76 174.95 2kem s ASN 54 N 1.71 3.13 0.07 0.00 3.84 -1.06 -4.76 114.94 117.87 2kem s ASN 54 Ca 0.18 -0.61 0.08 0.00 0.21 0.00 0.00 52.86 52.73 2kem s ASN 54 Cb -0.04 -0.27 -0.03 0.00 -0.55 0.00 0.00 41.25 40.36 2kem s ASN 54 CO -0.07 0.24 -0.20 -1.58 -2.79 0.00 0.00 177.10 172.70 2kem s GLN 55 N -1.33 1.88 -0.45 0.43 -0.44 -1.19 -0.67 119.66 117.89 2kem s GLN 55 Ca 0.12 -1.09 -0.17 0.00 -2.50 0.00 0.00 55.36 51.71 2kem s GLN 55 Cb -0.10 -2.11 0.04 0.00 -1.64 0.00 0.00 33.01 29.20 2kem s GLN 55 CO 0.02 0.51 0.45 0.00 0.50 0.00 0.00 175.29 176.78 2kem s ALA 56 N -0.98 3.45 0.95 1.58 0.00 -1.24 -4.25 121.76 121.27 2kem s ALA 56 Ca 0.15 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.41 2kem s ALA 56 Cb -0.10 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2kem s ALA 56 CO 0.06 -1.69 0.00 -2.30 0.00 0.00 0.00 175.76 171.83 2kem n PRO 57 N 5.59 0.60 -0.61 0.00 -0.02 -1.26 -4.81 135.00 134.50 2kem n PRO 57 Ca -0.08 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.45 2kem n PRO 57 Cb 0.46 0.00 0.21 0.00 -0.02 0.00 0.00 33.50 34.15 2kem n PRO 57 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2kem n HIS 58 N -1.29 0.10 -3.38 6.00 1.44 -1.26 -4.84 115.22 111.98 2kem n HIS 58 Ca 0.00 -1.50 0.00 0.00 -2.01 0.00 0.00 57.72 54.21 2kem n HIS 58 Cb 0.00 -0.27 0.00 0.00 0.12 0.00 0.00 29.99 29.84 2kem n HIS 58 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2kem n LYS 59 N -1.13 2.13 0.00 -1.40 4.81 -1.26 -5.09 118.16 116.23 2kem n LYS 59 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 2kem n LYS 59 Cb 0.72 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.77 2kem n LYS 59 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2kem n HIS 60 N -0.28 -0.63 0.00 5.64 1.44 -1.25 -4.77 115.22 115.38 2kem n HIS 60 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2kem n HIS 60 Cb 0.00 0.31 0.00 0.00 0.12 0.00 0.00 29.99 30.42 2kem n HIS 60 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kem n GLY 61 N 0.29 -2.97 0.14 -1.39 0.00 -1.26 -4.36 105.19 95.65 2kem n GLY 61 Ca 0.00 0.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 2kem n GLY 61 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2kem h PHE 62 N 0.00 -0.33 -4.32 1.61 3.04 -2.04 -3.44 116.94 111.46 2kem h PHE 62 Ca 0.00 -0.01 -0.51 0.00 3.98 0.00 0.00 57.97 61.43 2kem h PHE 62 Cb 0.00 0.11 0.11 0.00 2.56 0.00 0.00 35.95 38.73 2kem h PHE 62 CO 0.00 -0.20 0.34 -0.51 -2.02 0.00 0.00 178.31 175.92 2kem s LEU 63 N -5.80 3.03 -0.06 0.59 1.43 -1.26 -5.00 118.68 111.61 2kem s LEU 63 Ca -0.05 1.67 0.01 0.00 -1.03 0.00 0.00 54.13 54.74 2kem s LEU 63 Cb 0.01 -4.45 -0.04 0.00 0.03 0.00 0.00 46.19 41.73 2kem s LEU 63 CO 0.15 -1.75 -0.04 -0.62 0.23 0.00 0.00 176.35 174.33 2kem n GLU 64 N -3.33 0.90 -0.16 1.70 1.02 -1.26 -3.74 120.64 115.77 2kem n GLU 64 Ca 0.08 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2kem n GLU 64 Cb 0.54 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 2kem n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kem n GLY 65 N 3.09 0.66 2.99 0.62 0.00 -1.26 -4.92 105.19 106.36 2kem n GLY 65 Ca -0.10 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 2kem n GLY 65 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kem s ARG 66 N -1.75 1.07 0.41 1.61 3.03 -1.26 -4.78 118.95 117.28 2kem s ARG 66 Ca 0.00 -0.30 0.08 0.00 2.03 0.00 0.00 55.73 57.54 2kem s ARG 66 Cb 0.00 -0.98 0.00 0.00 -1.03 0.00 0.00 34.95 32.94 2kem s ARG 66 CO 0.00 0.07 0.53 -1.01 -1.13 0.00 0.00 175.30 173.77 2kem s HIS 67 N 0.38 2.82 0.47 5.89 3.76 -1.25 -3.18 115.29 124.18 2kem s HIS 67 Ca -0.06 -0.40 0.34 0.00 -0.15 0.00 0.00 55.06 54.79 2kem s HIS 67 Cb -0.11 -2.32 1.50 0.00 1.11 0.00 0.00 32.58 32.76 2kem s HIS 67 CO 0.01 -0.34 1.62 0.00 -0.85 0.00 0.00 174.74 175.17 2kem h ALA 68 N 0.72 2.98 0.30 -1.40 0.00 -1.12 0.82 119.26 121.55 2kem h ALA 68 Ca -0.41 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2kem h ALA 68 Cb 1.28 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 2kem h ALA 68 CO 0.47 -1.59 -0.28 0.93 0.00 0.00 0.00 179.25 178.79 2kem h GLU 69 N 0.06 -0.58 -0.04 0.00 5.08 -1.91 0.51 114.58 117.71 2kem h GLU 69 Ca 0.84 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 59.20 2kem h GLU 69 Cb 2.81 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 32.18 2kem h GLU 69 CO -0.33 -0.39 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.10 2kem h LEU 70 N -0.60 0.05 -1.29 1.33 4.07 0.18 0.20 115.31 119.25 2kem h LEU 70 Ca -0.02 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.91 2kem h LEU 70 Cb 0.54 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 2kem h LEU 70 CO -0.04 0.18 0.14 0.00 -1.08 0.00 0.00 178.44 177.64 2kem h PHE 72 N 0.62 0.56 -0.05 0.00 3.57 0.30 -1.30 116.94 120.64 2kem h PHE 72 Ca 0.15 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 61.52 2kem h PHE 72 Cb 0.18 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 2kem h PHE 72 CO 0.01 0.76 0.06 -0.07 -2.23 0.00 0.00 178.31 176.84 2kem h LEU 73 N 0.41 0.00 0.15 0.59 4.07 0.70 -0.26 115.31 120.97 2kem h LEU 73 Ca 0.05 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.70 2kem h LEU 73 Cb 0.78 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.52 2kem h LEU 73 CO 0.06 0.00 -1.53 -0.78 -1.08 0.00 0.00 178.44 175.12 2kem h ASP 74 N 0.00 0.49 -0.85 -0.43 3.58 -0.58 -3.33 116.42 115.30 2kem h ASP 74 Ca 0.02 -0.64 0.12 0.00 0.42 0.00 0.00 57.03 56.95 2kem h ASP 74 Cb 0.14 -0.16 -0.08 0.00 1.72 0.00 0.00 39.33 40.95 2kem h ASP 74 CO -0.00 1.53 0.47 -0.37 -2.88 0.00 0.00 179.24 177.98 2kem h VAL 75 N 0.09 0.83 0.09 2.25 -1.51 -0.45 -2.75 116.25 114.80 2kem h VAL 75 Ca -0.25 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 2kem h VAL 75 Cb 2.05 0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 31.23 2kem h VAL 75 CO 0.18 0.13 -0.19 0.40 -1.23 0.00 0.00 177.57 176.87 2kem h ILE 76 N 0.73 0.00 -1.50 7.19 1.08 -1.62 2.60 117.51 125.99 2kem h ILE 76 Ca 0.43 0.00 0.44 0.00 -0.39 0.00 0.00 64.86 65.34 2kem h ILE 76 Cb 0.50 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.19 2kem h ILE 76 CO -0.30 0.00 1.12 -0.65 -0.69 0.00 0.00 178.15 177.63 2kem h PRO 77 N -0.31 0.00 0.01 2.37 0.11 -1.64 0.55 132.00 133.10 2kem h PRO 77 Ca -0.01 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.75 2kem h PRO 77 Cb 0.29 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.34 2kem h PRO 77 CO -0.08 0.00 -2.18 0.34 -0.21 0.00 0.00 178.00 175.87 2kem n PHE 78 N -3.98 0.39 0.15 0.65 -0.00 -0.83 -4.15 117.46 109.68 2kem n PHE 78 Ca 0.33 0.12 0.17 0.00 -0.00 0.00 0.00 57.45 58.08 2kem n PHE 78 Cb 1.59 -1.07 0.77 0.00 -0.00 0.00 0.00 39.48 40.77 2kem n PHE 78 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.76 175.27 2kem h TRP 79 N 0.01 0.00 -0.32 -5.13 4.06 0.98 -3.44 115.95 112.11 2kem h TRP 79 Ca -0.47 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.34 2kem h TRP 79 Cb 2.11 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 30.22 2kem h TRP 79 CO 0.01 0.00 -0.12 1.63 -3.56 0.00 0.00 178.44 176.40 2kem n LYS 80 N -4.02 -0.48 -1.69 0.49 4.76 -0.50 -4.82 118.16 111.90 2kem n LYS 80 Ca 0.04 0.73 -0.57 0.00 -2.87 0.00 0.00 58.31 55.64 2kem n LYS 80 Cb 0.40 -4.51 -0.07 0.00 -1.84 0.00 0.00 35.03 29.01 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 -0.76 2.27 0.00 -0.35 -0.00 -1.16 0.11 117.00 117.11 2kem n LEU 81 Ca -0.07 1.08 0.00 0.00 -0.00 0.00 0.00 56.01 57.02 2kem n LEU 81 Cb 0.22 -1.15 0.00 0.00 -0.00 0.00 0.00 43.42 42.49 2kem n LEU 81 CO 0.10 -0.53 0.00 -0.67 -0.00 0.00 0.00 177.39 176.29 2kem n ASP 82 N 4.92 0.00 -0.20 1.96 2.03 0.11 -4.50 116.55 120.87 2kem n ASP 82 Ca 0.25 0.00 0.29 0.00 0.52 0.00 0.00 54.79 55.85 2kem n ASP 82 Cb 0.14 0.00 0.73 0.00 -0.72 0.00 0.00 41.12 41.27 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 -3.06 115.31 107.68 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 0.00 178.44 177.73 2kem n ASP 84 N -4.26 3.46 -3.64 0.17 9.92 0.12 -5.08 116.55 117.23 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 41.35 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 -0.22 -1.24 0.00 -1.11 -5.04 119.66 110.43 2kem s GLN 85 Ca -0.04 0.72 -0.20 0.00 -0.00 0.00 0.00 55.36 55.83 2kem s GLN 85 Cb 0.01 0.11 -0.02 0.00 0.00 0.00 0.00 33.01 33.11 2kem s GLN 85 CO 0.07 -0.09 0.61 0.34 0.00 0.00 0.00 175.29 176.23 2kem s ASP 86 N 1.19 6.63 0.09 12.60 -1.08 -1.24 0.04 116.67 134.89 2kem s ASP 86 Ca -0.07 0.77 0.05 0.00 -0.52 0.00 0.00 52.55 52.78 2kem s ASP 86 Cb -0.04 -2.34 -0.04 0.00 -1.46 0.00 0.00 42.92 39.04 2kem s ASP 86 CO -0.14 -0.29 -0.02 -0.31 0.52 0.00 0.00 175.17 174.92 2kem s TYR 87 N 2.08 2.94 -0.83 -5.34 1.51 -1.26 0.90 117.35 117.35 2kem s TYR 87 Ca 0.27 -0.05 -0.16 0.00 -1.01 0.00 0.00 57.07 56.13 2kem s TYR 87 Cb -0.16 -1.52 0.18 0.00 -0.11 0.00 0.00 41.96 40.35 2kem s TYR 87 CO 0.10 0.47 0.87 1.03 -1.11 0.00 0.00 175.55 176.90 2kem s ARG 88 N -2.23 3.54 0.10 -0.62 1.81 -0.69 -2.56 118.95 118.29 2kem s ARG 88 Ca 0.24 -2.13 -0.30 0.00 -1.72 0.00 0.00 55.73 51.82 2kem s ARG 88 Cb -0.12 -4.57 -0.06 0.00 -0.45 0.00 0.00 34.95 29.76 2kem s ARG 88 CO 0.17 -1.46 0.99 0.08 -0.68 0.00 0.00 175.30 174.40 2kem s VAL 89 N 1.20 4.47 -0.34 3.52 1.01 0.31 -2.03 120.40 128.54 2kem s VAL 89 Ca 0.22 1.99 -0.01 0.00 0.00 0.00 0.00 61.98 64.18 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 -0.08 0.28 0.19 0.42 0.00 0.00 0.00 175.10 175.91 2kem s THR 90 N 0.20 0.19 0.36 3.92 -4.23 0.14 -0.41 115.64 115.80 2kem s THR 90 Ca 0.49 -1.55 -0.09 0.00 -1.18 0.00 0.00 61.69 59.35 2kem s THR 90 Cb -0.24 -1.16 -0.06 0.00 1.34 0.00 0.00 72.50 72.38 2kem s THR 90 CO 0.30 -0.92 0.70 0.00 -0.54 0.00 0.00 174.62 174.16 2kem s PHE 92 N -2.23 3.01 0.19 0.00 0.40 0.12 -1.56 117.98 117.90 2kem s PHE 92 Ca 0.49 -2.48 0.01 0.00 -0.60 0.00 0.00 56.93 54.35 2kem s PHE 92 Cb -0.10 -2.40 0.01 0.00 0.51 0.00 0.00 43.02 41.04 2kem s PHE 92 CO 0.29 -0.91 0.08 0.25 0.70 0.00 0.00 175.22 175.64 2kem n THR 93 N 4.47 0.00 -0.53 0.64 -2.24 -0.77 -2.40 114.28 113.46 2kem n THR 93 Ca -0.00 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 2kem n THR 93 Cb 0.42 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 2kem n THR 93 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2kem n SER 94 N -1.58 0.74 -3.62 3.42 7.64 -1.26 -3.07 113.62 115.88 2kem n SER 94 Ca -0.04 -1.27 -0.12 0.00 1.01 0.00 0.00 58.87 58.45 2kem n SER 94 Cb 0.23 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.31 2kem n SER 94 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2kem s TRP 95 N -0.27 -0.55 1.04 1.43 0.52 -1.22 -3.16 118.94 116.73 2kem s TRP 95 Ca 0.00 1.05 -0.21 0.00 0.02 0.00 0.00 56.10 56.96 2kem s TRP 95 Cb 0.00 0.04 -0.05 0.00 -1.15 0.00 0.00 33.47 32.31 2kem s TRP 95 CO 0.00 -0.44 -0.66 0.43 0.02 0.00 0.00 176.95 176.30 2kem n SER 96 N 5.36 -3.03 0.00 2.95 7.64 -1.14 -4.76 113.62 120.64 2kem n SER 96 Ca -0.06 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2kem n SER 96 Cb 0.50 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 2kem n SER 96 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2kem n PRO 97 N 0.27 0.00 0.00 1.43 -0.02 -1.26 -4.50 135.00 130.92 2kem n PRO 97 Ca -0.00 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2kem n PRO 97 Cb 0.66 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 33.06 2kem n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kem h PHE 99 N 0.00 0.65 -0.90 0.00 -5.15 -1.87 0.35 116.94 110.02 2kem h PHE 99 Ca 0.00 0.02 0.05 0.00 -0.20 0.00 0.00 57.97 57.84 2kem h PHE 99 Cb 0.00 -0.21 -0.06 0.00 0.22 0.00 0.00 35.95 35.91 2kem h PHE 99 CO 0.00 0.35 0.57 0.77 -2.00 0.00 0.00 178.31 178.01 2kem h SER 100 N 0.68 0.93 0.70 -0.68 0.02 -1.97 0.17 113.55 113.40 2kem h SER 100 Ca 0.25 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.10 2kem h SER 100 Cb 0.07 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2kem h SER 100 CO -0.12 0.61 -0.46 0.00 -1.14 0.00 0.00 176.83 175.72 2kem h ALA 102 N 1.54 1.35 0.05 0.00 0.00 0.27 0.64 119.26 123.10 2kem h ALA 102 Ca -0.00 0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 2kem h ALA 102 Cb 0.94 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.52 2kem h ALA 102 CO 0.06 0.26 -1.06 1.96 0.00 0.00 0.00 179.25 180.47 2kem h GLN 103 N 0.99 0.45 0.38 0.00 4.20 -1.17 -1.90 115.11 118.06 2kem h GLN 103 Ca 0.44 -0.55 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 2kem h GLN 103 Cb 0.33 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2kem h GLN 103 CO -0.22 1.20 -0.18 0.93 -0.67 0.00 0.00 178.83 179.88 2kem h GLU 104 N 0.23 -0.49 0.00 1.46 5.08 -0.98 -1.32 114.58 118.55 2kem h GLU 104 Ca -0.11 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2kem h GLU 104 Cb 1.72 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 31.08 2kem h GLU 104 CO 0.19 -0.18 -0.18 0.52 -1.00 0.00 0.00 179.01 178.35 2kem h MET 105 N -0.97 0.00 0.51 2.33 2.86 0.10 -2.87 114.93 116.89 2kem h MET 105 Ca -0.05 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 2kem h MET 105 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2kem h MET 105 CO 0.09 0.18 -0.24 0.00 1.06 0.00 0.00 176.91 178.00 2kem h ALA 106 N 1.82 -0.73 -0.91 6.32 0.00 -1.34 0.44 119.26 124.86 2kem h ALA 106 Ca -0.00 -0.15 0.26 0.00 0.00 0.00 0.00 54.91 55.02 2kem h ALA 106 Cb 0.33 0.26 -0.16 0.00 0.00 0.00 0.00 17.79 18.23 2kem h ALA 106 CO 0.02 -0.68 0.18 -0.22 0.00 0.00 0.00 179.25 178.55 2kem h LYS 107 N -1.08 0.12 0.02 0.00 3.64 -1.17 3.72 116.57 121.81 2kem h LYS 107 Ca -0.07 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 2kem h LYS 107 Cb 0.52 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2kem h LYS 107 CO 0.11 0.08 -0.44 0.35 -2.27 0.00 0.00 179.45 177.28 2kem h PHE 108 N 0.12 0.06 0.04 1.91 3.57 -1.54 -2.50 116.94 118.60 2kem h PHE 108 Ca 0.58 -0.05 -0.35 0.00 3.53 0.00 0.00 57.97 61.68 2kem h PHE 108 Cb 1.21 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.90 2kem h PHE 108 CO -0.33 1.17 -2.11 -0.89 -2.23 0.00 0.00 178.31 173.93 2kem n ILE 109 N -4.49 1.59 -0.07 1.41 5.41 0.15 -1.92 119.36 121.44 2kem n ILE 109 Ca -0.16 -0.72 -0.08 0.00 1.00 0.00 0.00 62.75 62.79 2kem n ILE 109 Cb 0.58 -1.20 -0.05 0.00 -0.71 0.00 0.00 39.64 38.26 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 0.71 4.38 0.87 0.62 -0.30 113.55 119.85 2kem h SER 110 Ca -0.45 -0.26 -0.09 0.00 -1.23 0.00 0.00 61.79 59.76 2kem h SER 110 Cb 2.05 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.99 2kem h SER 110 CO 0.04 0.85 -0.44 0.50 -0.53 0.00 0.00 176.83 177.25 2kem h LYS 111 N -1.00 0.00 0.00 2.24 3.64 0.32 -3.37 116.57 118.40 2kem h LYS 111 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2kem h LYS 111 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2kem h LYS 111 CO -0.04 0.44 -0.65 -1.71 -2.27 0.00 0.00 179.45 175.22 2kem n ASN 112 N -3.68 1.41 -2.21 4.20 2.85 -0.94 -4.98 115.26 111.90 2kem n ASN 112 Ca -0.01 0.23 0.00 0.00 -0.11 0.00 0.00 54.58 54.70 2kem n ASN 112 Cb 0.52 -0.62 0.00 0.00 1.24 0.00 0.00 39.78 40.92 2kem n ASN 112 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2kem n LYS 113 N -3.91 -4.87 -0.62 1.20 5.02 -0.12 -4.96 118.16 109.91 2kem n LYS 113 Ca -0.09 3.56 -0.03 0.00 -2.02 0.00 0.00 58.31 59.73 2kem n LYS 113 Cb 0.34 -4.37 -0.03 0.00 -0.02 0.00 0.00 35.03 30.96 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 1.71 0.00 -3.45 2.13 1.44 -1.26 -5.04 115.22 110.74 2kem n HIS 114 Ca 0.00 -0.18 -0.11 0.00 -2.01 0.00 0.00 57.72 55.43 2kem n HIS 114 Cb 0.00 0.33 -0.02 0.00 0.12 0.00 0.00 29.99 30.42 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 -0.19 0.61 0.11 -1.26 -4.44 120.40 115.22 2kem s VAL 115 Ca 0.00 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.98 2kem s VAL 115 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2kem s VAL 115 CO 0.00 0.00 0.06 -0.55 -3.33 0.00 0.00 175.10 171.28 2kem s SER 116 N -2.63 5.51 -0.21 3.54 0.15 -1.06 -4.95 113.70 114.05 2kem s SER 116 Ca 0.02 0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.69 2kem s SER 116 Cb -0.01 -1.95 0.06 0.00 -1.71 0.00 0.00 66.02 62.41 2kem s SER 116 CO -0.11 0.13 -0.02 -1.48 1.20 0.00 0.00 173.24 172.96 2kem s LEU 117 N 0.61 1.89 -0.51 3.45 -0.00 -1.11 0.11 118.68 123.13 2kem s LEU 117 Ca 0.03 -0.97 0.04 0.00 -0.00 0.00 0.00 54.13 53.23 2kem s LEU 117 Cb -0.13 -0.91 0.13 0.00 -0.00 0.00 0.00 46.19 45.28 2kem s LEU 117 CO 0.01 -0.26 0.26 0.00 -0.00 0.00 0.00 176.35 176.36 2kem s ILE 119 N -0.21 5.15 -0.53 0.00 1.09 -0.67 0.47 121.20 126.51 2kem s ILE 119 Ca 0.17 -1.57 -0.26 0.00 -1.10 0.00 0.00 60.65 57.89 2kem s ILE 119 Cb -0.26 -4.44 0.03 0.00 -1.06 0.00 0.00 42.46 36.74 2kem s ILE 119 CO 0.00 -1.02 1.00 -1.59 -0.10 0.00 0.00 174.94 173.23 2kem s LYS 120 N 1.67 3.45 -0.25 2.79 0.00 -0.60 -1.69 119.74 125.11 2kem s LYS 120 Ca 0.11 0.02 -0.08 0.00 0.00 0.00 0.00 55.97 56.01 2kem s LYS 120 Cb -0.22 -4.00 -0.03 0.00 0.00 0.00 0.00 37.83 33.57 2kem s LYS 120 CO 0.01 -1.45 0.10 -0.08 0.00 0.00 0.00 175.35 173.92 2kem s THR 121 N 4.14 4.59 0.65 3.79 -1.32 0.55 -1.85 115.64 126.19 2kem s THR 121 Ca 0.36 -0.08 0.40 0.00 -1.21 0.00 0.00 61.69 61.16 2kem s THR 121 Cb -0.10 -3.15 0.42 0.00 -1.51 0.00 0.00 72.50 68.16 2kem s THR 121 CO 0.23 0.33 2.33 0.00 -2.21 0.00 0.00 174.62 175.31 2kem h ALA 122 N 8.08 1.17 -2.48 11.08 0.00 -1.63 -1.61 119.26 133.86 2kem h ALA 122 Ca -0.37 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 2kem h ALA 122 Cb 1.18 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.73 2kem h ALA 122 CO 0.59 -0.02 -0.17 0.50 0.00 0.00 0.00 179.25 180.15 2kem s ARG 123 N -4.29 0.53 -0.08 0.00 3.52 -1.19 -4.63 118.95 112.81 2kem s ARG 123 Ca -0.05 0.83 -0.30 0.00 -0.13 0.00 0.00 55.73 56.08 2kem s ARG 123 Cb 0.13 0.13 -0.02 0.00 -1.56 0.00 0.00 34.95 33.64 2kem s ARG 123 CO 0.45 -0.12 1.09 0.42 -0.81 0.00 0.00 175.30 176.32 2kem s ILE 124 N 0.97 4.55 0.32 4.11 1.01 -1.26 -2.90 121.20 127.99 2kem s ILE 124 Ca -0.06 1.85 -0.27 0.00 0.00 0.00 0.00 60.65 62.17 2kem s ILE 124 Cb -0.06 -4.19 -0.13 0.00 0.01 0.00 0.00 42.46 38.09 2kem s ILE 124 CO -0.08 0.01 1.03 0.00 0.00 0.00 0.00 174.94 175.89 2kem n TYR 125 N 5.05 1.33 -4.48 3.97 4.19 -1.26 -4.77 117.16 121.18 2kem n TYR 125 Ca 0.10 0.67 -0.24 0.00 3.31 0.00 0.00 57.90 61.73 2kem n TYR 125 Cb 0.48 -2.26 -0.10 0.00 0.49 0.00 0.00 39.34 37.95 2kem n TYR 125 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 2kem s ASP 126 N -0.56 3.58 0.08 2.98 2.15 -1.24 -4.59 116.67 119.07 2kem s ASP 126 Ca 0.59 -1.07 0.00 0.00 0.43 0.00 0.00 52.55 52.50 2kem s ASP 126 Cb -0.66 -0.31 0.00 0.00 -0.30 0.00 0.00 42.92 41.65 2kem s ASP 126 CO 0.60 -0.03 0.00 -0.67 -0.17 0.00 0.00 175.17 174.90 2kem n ASP 127 N -0.65 -0.68 -2.78 -0.34 -0.08 -1.26 -3.55 116.55 107.20 2kem n ASP 127 Ca -0.05 0.16 -0.09 0.00 -1.51 0.00 0.00 54.79 53.29 2kem n ASP 127 Cb 0.61 0.99 0.05 0.00 2.34 0.00 0.00 41.12 45.11 2kem n ASP 127 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kem n GLN 128 N -2.55 0.85 -2.23 -0.67 6.02 -1.26 -4.94 117.38 112.60 2kem n GLN 128 Ca 0.00 -1.90 -0.14 0.00 -0.01 0.00 0.00 57.00 54.95 2kem n GLN 128 Cb 0.00 -1.34 -0.01 0.00 1.02 0.00 0.00 30.24 29.91 2kem n GLN 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kem n GLY 129 N 1.24 -0.14 0.00 1.08 0.00 -1.26 -5.00 105.19 101.12 2kem n GLY 129 Ca 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.36 3.30 0.00 1.61 1.74 -1.26 -4.85 116.66 114.85 2kem n ARG 130 Ca -0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 2kem n ARG 130 Cb 0.62 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.06 2kem n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kem n ALA 131 N -3.00 0.00 -0.36 7.54 0.00 -1.26 -4.71 120.51 118.72 2kem n ALA 131 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.70 2kem n ALA 131 Cb 0.00 0.00 0.52 0.00 0.00 0.00 0.00 19.45 19.97 2kem n ALA 131 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2kem h GLN 132 N 0.00 0.30 -0.00 0.00 3.07 -1.88 0.90 115.11 117.50 2kem h GLN 132 Ca 0.00 -0.02 -0.20 0.00 0.09 0.00 0.00 58.65 58.52 2kem h GLN 132 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 27.49 2kem h GLN 132 CO 0.00 0.20 -0.88 1.05 0.09 0.00 0.00 178.83 179.29 2kem h GLU 133 N 0.31 0.27 -0.31 0.06 9.09 -1.93 -2.23 114.58 119.83 2kem h GLU 133 Ca 0.71 -0.28 0.06 0.00 0.05 0.00 0.00 59.36 59.90 2kem h GLU 133 Cb 1.81 0.08 -0.06 0.00 -1.65 0.00 0.00 28.75 28.93 2kem h GLU 133 CO -0.46 0.99 -0.08 0.78 0.05 0.00 0.00 179.01 180.29 2kem h GLY 134 N 1.63 0.22 2.00 1.06 0.00 0.65 -1.84 103.07 106.79 2kem h GLY 134 Ca -0.05 0.11 -0.15 0.00 0.00 0.00 0.00 47.33 47.23 2kem h GLY 134 CO 0.14 -0.12 -0.72 1.41 0.00 0.00 0.00 176.54 177.25 2kem h LEU 135 N -0.00 0.00 0.09 3.11 4.07 -1.55 -2.83 115.31 118.19 2kem h LEU 135 Ca 0.15 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.12 2kem h LEU 135 Cb 0.23 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.94 2kem h LEU 135 CO -0.32 0.72 -0.33 0.08 -1.08 0.00 0.00 178.44 177.51 2kem h ARG 136 N 0.00 -0.46 -0.17 1.13 0.11 -0.71 1.92 114.38 116.21 2kem h ARG 136 Ca -0.01 0.03 -0.13 0.00 0.10 0.00 0.00 59.98 59.98 2kem h ARG 136 Cb 1.53 0.10 -0.01 0.00 1.11 0.00 0.00 29.97 32.71 2kem h ARG 136 CO 0.09 -0.31 -0.44 1.15 0.10 0.00 0.00 179.97 180.57 2kem h THR 137 N -0.48 1.31 0.06 0.08 2.02 -1.54 -2.11 112.91 112.26 2kem h THR 137 Ca -0.01 -1.61 -0.00 0.00 0.77 0.00 0.00 66.41 65.56 2kem h THR 137 Cb 0.47 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 2kem h THR 137 CO -0.17 0.49 -0.03 -0.07 0.37 0.00 0.00 175.52 176.12 2kem h LEU 138 N 0.33 -0.06 -1.63 2.58 3.38 -1.20 -1.75 115.31 116.95 2kem h LEU 138 Ca 0.02 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.17 2kem h LEU 138 Cb 0.90 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2kem h LEU 138 CO 0.08 -0.02 0.71 0.00 0.09 0.00 0.00 178.44 179.30 2kem h ALA 139 N -1.92 2.35 0.00 1.53 0.00 1.27 1.37 119.26 123.87 2kem h ALA 139 Ca -0.01 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2kem h ALA 139 Cb 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2kem h ALA 139 CO 0.01 -1.01 -0.85 0.93 0.00 0.00 0.00 179.25 178.33 2kem h GLU 140 N 0.00 0.11 0.00 0.00 4.39 -1.31 -3.40 114.58 114.37 2kem h GLU 140 Ca 0.28 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2kem h GLU 140 Cb 1.70 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.38 2kem h GLU 140 CO -0.00 0.89 0.00 0.00 -1.16 0.00 0.00 179.01 178.74 2kem n ALA 141 N -2.43 0.00 0.23 3.43 0.00 0.41 -4.97 120.51 117.18 2kem n ALA 141 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.54 2kem n ALA 141 Cb 0.80 0.00 0.19 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 0.28 -3.08 103.07 100.27 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 -2.09 0.00 -1.91 3.60 0.00 0.24 -4.46 120.51 115.89 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 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 2kem n ALA 143 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kem s LYS 144 N 0.00 2.39 -0.69 0.00 2.20 0.35 0.16 119.74 124.15 2kem s LYS 144 Ca 0.00 0.42 -0.26 0.00 -0.36 0.00 0.00 55.97 55.77 2kem s LYS 144 Cb 0.00 -4.69 0.04 0.00 -1.51 0.00 0.00 37.83 31.67 2kem s LYS 144 CO 0.00 -3.25 1.17 0.42 -0.36 0.00 0.00 175.35 173.33 2kem s ILE 145 N 10.62 3.95 0.49 5.43 -1.09 -1.26 -1.67 121.20 137.68 2kem s ILE 145 Ca 0.76 0.25 -0.01 0.00 -2.23 0.00 0.00 60.65 59.42 2kem s ILE 145 Cb -0.11 -4.81 0.00 0.00 -1.58 0.00 0.00 42.46 35.96 2kem s ILE 145 CO 0.13 -1.65 0.73 -0.44 -1.23 0.00 0.00 174.94 172.48 2kem s SER 146 N 3.59 5.71 -0.29 3.58 0.01 -0.68 -4.89 113.70 120.72 2kem s SER 146 Ca 0.32 0.34 -0.20 0.00 1.31 0.00 0.00 55.95 57.72 2kem s SER 146 Cb -0.11 -1.49 -0.01 0.00 0.21 0.00 0.00 66.02 64.63 2kem s SER 146 CO 0.15 -0.84 0.64 -0.63 0.41 0.00 0.00 173.24 172.97 2kem s ILE 147 N -2.68 4.94 -1.28 1.44 1.09 -1.26 -0.33 121.20 123.12 2kem s ILE 147 Ca 0.51 0.94 -0.14 0.00 -1.10 0.00 0.00 60.65 60.86 2kem s ILE 147 Cb -0.10 -3.99 0.13 0.00 -1.06 0.00 0.00 42.46 37.43 2kem s ILE 147 CO 0.39 -0.11 1.70 0.80 -0.10 0.00 0.00 174.94 177.63 2kem n MET 148 N 5.86 3.32 -1.46 2.79 1.56 -0.61 -4.69 117.12 123.90 2kem n MET 148 Ca -0.01 -3.49 -0.06 0.00 -0.27 0.00 0.00 57.70 53.87 2kem n MET 148 Cb 0.49 -3.16 0.03 0.00 2.15 0.00 0.00 33.22 32.72 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 4.84 0.00 -0.26 1.12 -2.24 -1.26 -3.78 114.28 112.69 2kem n THR 149 Ca 0.42 -0.55 0.13 0.00 -2.27 0.00 0.00 64.05 61.78 2kem n THR 149 Cb 0.42 -0.99 0.25 0.00 -2.10 0.00 0.00 70.33 67.91 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 -1.55 0.53 0.06 4.78 0.18 -1.26 0.32 117.16 120.23 2kem n TYR 150 Ca 0.05 0.92 -0.11 0.00 1.88 0.00 0.00 57.90 60.64 2kem n TYR 150 Cb 0.18 -1.10 -0.08 0.00 -0.38 0.00 0.00 39.34 37.96 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 -0.19 0.54 9.48 0.02 -1.93 -1.92 113.55 119.55 2kem h SER 151 Ca 0.49 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2kem h SER 151 Cb 1.04 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2kem h SER 151 CO -0.71 0.33 0.00 1.21 -1.14 0.00 0.00 176.83 176.52 2kem n GLU 152 N -4.95 0.17 -0.01 3.45 4.07 0.51 -2.68 120.64 121.19 2kem n GLU 152 Ca -0.08 0.47 -0.09 0.00 -0.06 0.00 0.00 57.16 57.40 2kem n GLU 152 Cb 0.27 -1.87 -0.07 0.00 -0.06 0.00 0.00 31.44 29.70 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 -0.09 -0.99 4.31 3.57 0.54 -1.31 116.94 122.97 2kem h PHE 153 Ca 0.00 -0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.73 2kem h PHE 153 Cb 0.27 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.96 2kem h PHE 153 CO 0.00 0.40 0.64 1.57 -2.23 0.00 0.00 178.31 178.69 2kem h LYS 154 N -0.94 0.41 -0.37 1.11 2.10 -1.13 1.20 116.57 118.96 2kem h LYS 154 Ca -0.01 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.57 2kem h LYS 154 Cb 0.54 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 2kem h LYS 154 CO 0.02 0.27 0.04 0.45 -2.00 0.00 0.00 179.45 178.23 2kem h HIS 155 N 0.43 0.67 -0.56 0.07 3.86 -1.51 -2.71 115.15 115.40 2kem h HIS 155 Ca 0.54 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.64 2kem h HIS 155 Cb 1.33 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.59 2kem h HIS 155 CO -0.00 0.69 0.29 0.00 0.86 0.00 0.00 177.93 179.77 2kem n TRP 157 N -4.59 0.00 0.71 0.00 -0.00 0.28 0.10 117.44 113.95 2kem n TRP 157 Ca 0.03 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.61 2kem n TRP 157 Cb 0.10 -0.48 0.39 0.00 -0.00 0.00 0.00 31.31 31.32 2kem n TRP 157 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 2kem n ASP 158 N -2.81 0.00 -0.18 5.87 -0.08 -1.08 0.15 116.55 118.41 2kem n ASP 158 Ca 0.00 0.17 -0.07 0.00 -1.51 0.00 0.00 54.79 53.38 2kem n ASP 158 Cb 0.00 -0.34 0.08 0.00 2.34 0.00 0.00 41.12 43.20 2kem n ASP 158 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kem h THR 159 N 0.00 1.26 0.00 5.18 1.03 0.11 -3.40 112.91 117.09 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 0.18 0.79 0.00 0.00 -1.07 0.00 0.00 68.15 68.05 2kem h THR 159 CO 0.00 0.39 -0.61 0.33 -0.01 0.00 0.00 175.52 175.63 2kem n PHE 160 N -4.20 0.00 -3.14 0.00 -0.00 -0.98 -4.87 117.46 104.28 2kem n PHE 160 Ca 0.03 0.00 -0.44 0.00 -0.00 0.00 0.00 57.45 57.04 2kem n PHE 160 Cb 0.32 0.03 -0.06 0.00 -0.00 0.00 0.00 39.48 39.78 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 -1.67 4.85 0.27 -2.13 0.11 0.40 -3.27 120.40 118.96 2kem s VAL 161 Ca 0.00 -0.68 -0.02 0.00 -2.93 0.00 0.00 61.98 58.36 2kem s VAL 161 Cb 0.00 -4.38 0.31 0.00 -1.53 0.00 0.00 36.38 30.79 2kem s VAL 161 CO 0.00 -0.94 1.63 0.44 -3.33 0.00 0.00 175.10 172.91 2kem h ASP 162 N 9.07 -0.21 0.00 3.54 5.19 -1.81 -2.91 116.42 129.30 2kem h ASP 162 Ca -0.28 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2kem h ASP 162 Cb 1.09 0.33 0.00 0.00 0.18 0.00 0.00 39.33 40.93 2kem h ASP 162 CO 1.02 -0.19 0.00 0.00 -3.12 0.00 0.00 179.24 176.95 2kem n HIS 163 N -5.31 0.00 -2.12 4.55 1.44 -1.26 -4.69 115.22 107.83 2kem n HIS 163 Ca 0.19 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.79 2kem n HIS 163 Cb 0.61 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.70 2kem n HIS 163 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2kem n GLN 164 N 0.00 -2.03 -0.09 -1.40 6.02 -1.26 0.10 117.38 118.72 2kem n GLN 164 Ca 0.00 0.53 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 2kem n GLN 164 Cb 0.00 -5.00 0.00 0.00 1.02 0.00 0.00 30.24 26.26 2kem n GLN 164 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kem n GLY 165 N -0.59 0.95 3.38 1.08 0.00 -1.26 -5.08 105.19 103.68 2kem n GLY 165 Ca -0.12 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 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 2.31 0.00 4.61 0.00 0.28 -5.10 121.76 121.86 2kem s ALA 166 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.42 2kem s ALA 166 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.83 2kem s ALA 166 CO 0.00 0.39 0.00 -0.35 0.00 0.00 0.00 175.76 175.80 2kem n PRO 167 N 0.44 0.00 -4.15 0.00 -0.04 -1.26 -4.55 135.00 125.45 2kem n PRO 167 Ca -0.14 0.27 -0.14 0.00 -0.04 0.00 0.00 63.50 63.44 2kem n PRO 167 Cb 0.56 -0.76 -0.11 0.00 -0.04 0.00 0.00 33.50 33.15 2kem n PRO 167 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2kem s PHE 168 N -0.93 0.98 -0.34 0.54 0.08 -1.26 -4.92 117.98 112.12 2kem s PHE 168 Ca 0.00 -0.60 -0.29 0.00 0.12 0.00 0.00 56.93 56.16 2kem s PHE 168 Cb 0.00 -0.55 -0.00 0.00 -0.57 0.00 0.00 43.02 41.90 2kem s PHE 168 CO 0.00 -0.02 1.48 -1.14 -0.10 0.00 0.00 175.22 175.43 2kem s GLN 169 N -2.36 3.66 0.00 0.44 0.74 -1.26 -4.93 119.66 115.95 2kem s GLN 169 Ca 0.01 1.21 0.00 0.00 0.05 0.00 0.00 55.36 56.63 2kem s GLN 169 Cb -0.05 -4.02 0.00 0.00 1.10 0.00 0.00 33.01 30.04 2kem s GLN 169 CO 0.00 -1.45 0.00 -0.35 -0.55 0.00 0.00 175.29 172.94 2kem n PRO 170 N 7.87 0.00 0.00 1.67 -0.04 -1.26 -4.21 135.00 139.03 2kem n PRO 170 Ca 0.17 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 2kem n PRO 170 Cb 0.47 -0.71 0.00 0.00 -0.04 0.00 0.00 33.50 33.22 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 -1.82 0.00 0.00 0.54 -0.00 -1.26 -4.73 117.44 110.17 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 1.31 0.00 -0.31 5.87 2.03 -1.26 -4.80 116.55 119.40 2kem n ASP 172 Ca 0.00 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.46 2kem n ASP 172 Cb 0.00 0.00 0.32 0.00 -0.72 0.00 0.00 41.12 40.72 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 1.56 1.69 0.27 0.00 -2.00 0.99 103.07 105.58 2kem h GLY 173 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2kem h GLY 173 CO 0.00 -0.32 0.15 0.17 0.00 0.00 0.00 176.54 176.54 2kem h LEU 174 N 0.34 0.00 -0.62 3.11 -0.00 -1.89 0.29 115.31 116.54 2kem h LEU 174 Ca 0.58 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 58.38 2kem h LEU 174 Cb 1.16 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.79 2kem h LEU 174 CO -0.57 0.00 0.08 -0.78 -0.00 0.00 0.00 178.44 177.17 2kem h ASP 175 N 0.00 0.99 -0.82 0.17 1.82 0.67 0.93 116.42 120.18 2kem h ASP 175 Ca 0.01 -0.27 -0.03 0.00 -0.39 0.00 0.00 57.03 56.34 2kem h ASP 175 Cb 0.31 -0.26 -0.04 0.00 0.68 0.00 0.00 39.33 40.02 2kem h ASP 175 CO -0.00 1.01 0.38 -0.08 -1.61 0.00 0.00 179.24 178.94 2kem h GLU 176 N 0.94 1.19 0.00 0.28 4.81 -0.47 0.07 114.58 121.40 2kem h GLU 176 Ca 0.19 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2kem h GLU 176 Cb 0.45 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 2kem h GLU 176 CO 0.01 0.93 -0.12 0.45 -0.73 0.00 0.00 179.01 179.55 2kem h HIS 177 N 1.17 0.00 0.25 0.92 3.86 -1.00 -2.45 115.15 117.90 2kem h HIS 177 Ca 0.28 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2kem h HIS 177 Cb 0.15 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 2kem h HIS 177 CO 0.02 0.12 -0.21 1.03 0.86 0.00 0.00 177.93 179.75 2kem h SER 178 N 0.00 -0.54 0.52 2.45 0.87 0.29 2.75 113.55 119.89 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 0.78 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 2kem h SER 178 CO 0.02 -0.32 -0.64 0.06 -0.53 0.00 0.00 176.83 175.42 2kem h GLN 179 N -0.47 0.11 0.00 2.24 -0.00 -1.48 -2.18 115.11 113.33 2kem h GLN 179 Ca -0.01 -0.08 -0.00 0.00 -0.00 0.00 0.00 58.65 58.56 2kem h GLN 179 Cb 0.42 0.01 0.00 0.00 -0.00 0.00 0.00 27.48 27.92 2kem h GLN 179 CO -0.02 0.71 -0.00 -0.44 -0.00 0.00 0.00 178.83 179.07 2kem h ASP 180 N 0.08 -0.00 -0.62 0.06 5.19 -1.00 -2.48 116.42 117.65 2kem h ASP 180 Ca -0.01 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.52 2kem h ASP 180 Cb 1.14 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.53 2kem h ASP 180 CO 0.09 0.02 -0.28 0.25 -3.12 0.00 0.00 179.24 176.20 2kem h LEU 181 N -0.04 -0.99 -0.47 1.55 6.46 0.47 0.65 115.31 122.94 2kem h LEU 181 Ca -0.00 0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 2kem h LEU 181 Cb 0.00 0.53 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 2kem h LEU 181 CO 0.00 -0.28 0.31 -1.28 -0.62 0.00 0.00 178.44 176.57 2kem h SER 182 N -0.11 0.54 -0.64 1.25 0.87 -1.32 -0.71 113.55 113.43 2kem h SER 182 Ca 0.27 -0.01 0.18 0.00 -1.23 0.00 0.00 61.79 61.00 2kem h SER 182 Cb 0.54 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 2kem h SER 182 CO -0.69 0.39 0.47 1.23 -0.53 0.00 0.00 176.83 177.69 2kem h GLY 183 N 0.63 0.00 0.48 5.77 0.00 -0.44 0.06 103.07 109.57 2kem h GLY 183 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.42 2kem h GLY 183 CO -0.04 0.00 -0.31 3.21 0.00 0.00 0.00 176.54 179.40 2kem h ARG 184 N 0.00 0.20 -1.01 4.80 3.08 0.21 -1.63 114.38 120.02 2kem h ARG 184 Ca 0.30 -0.22 0.29 0.00 0.07 0.00 0.00 59.98 60.42 2kem h ARG 184 Cb 1.23 0.07 -0.14 0.00 0.08 0.00 0.00 29.97 31.21 2kem h ARG 184 CO -0.00 0.97 0.59 -0.07 -1.07 0.00 0.00 179.97 180.39 2kem h LEU 185 N -0.48 0.57 0.00 3.04 -0.00 0.14 1.73 115.31 120.30 2kem h LEU 185 Ca -0.04 0.16 -0.11 0.00 -0.00 0.00 0.00 57.88 57.89 2kem h LEU 185 Cb 1.09 0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 41.82 2kem h LEU 185 CO 0.06 -0.03 -0.71 0.03 -0.00 0.00 0.00 178.44 177.79 2kem h ARG 186 N 0.43 0.00 0.00 1.13 -0.00 -1.41 -2.42 114.38 112.11 2kem h ARG 186 Ca 0.69 0.00 -0.15 0.00 -0.50 0.00 0.00 59.98 60.02 2kem h ARG 186 Cb 1.51 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.45 2kem h ARG 186 CO -0.53 0.43 -1.32 0.00 0.00 0.00 0.00 179.97 178.55 2kem h ALA 187 N 1.51 0.64 0.07 0.04 0.00 0.18 -3.35 119.26 118.36 2kem h ALA 187 Ca -0.04 -0.76 -0.36 0.00 0.00 0.00 0.00 54.91 53.74 2kem h ALA 187 Cb 1.41 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 2kem h ALA 187 CO 0.06 0.84 -2.11 0.44 0.00 0.00 0.00 179.25 178.47 2kem n ILE 188 N -2.90 1.67 -0.15 0.00 -5.35 0.51 -0.18 119.36 112.96 2kem n ILE 188 Ca -0.08 -0.66 -0.03 0.00 -0.27 0.00 0.00 62.75 61.72 2kem n ILE 188 Cb 0.81 -1.53 0.05 0.00 -1.74 0.00 0.00 39.64 37.24 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 0.04 -0.19 -3.10 7.28 -0.00 -1.58 -2.88 115.31 114.89 2kem h LEU 189 Ca -0.46 0.11 -0.07 0.00 -0.00 0.00 0.00 57.88 57.47 2kem h LEU 189 Cb 2.01 0.20 -0.08 0.00 -0.00 0.00 0.00 40.66 42.79 2kem h LEU 189 CO 0.04 -0.06 -0.58 1.67 -0.00 0.00 0.00 178.44 179.51 2kem n GLN 190 N -5.22 1.66 -2.24 1.13 -0.06 -1.26 -4.81 117.38 106.58 2kem n GLN 190 Ca 0.05 -3.29 -0.10 0.00 -2.00 0.00 0.00 57.00 51.66 2kem n GLN 190 Cb 0.26 -1.55 -0.01 0.00 -4.06 0.00 0.00 30.24 24.87 2kem n GLN 190 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2kem n ASN 191 N -0.94 -3.33 -4.76 1.69 2.85 -1.02 -4.88 115.26 104.87 2kem n ASN 191 Ca 0.20 0.25 -0.41 0.00 -0.11 0.00 0.00 54.58 54.51 2kem n ASN 191 Cb 0.76 -2.91 -0.03 0.00 1.24 0.00 0.00 39.78 38.83 2kem n ASN 191 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2kem s GLN 192 N -4.63 4.53 -0.26 1.20 -1.52 0.74 -4.92 119.66 114.79 2kem s GLN 192 Ca 0.00 1.95 -0.11 0.00 -1.95 0.00 0.00 55.36 55.25 2kem s GLN 192 Cb 0.00 -3.16 0.10 0.00 -0.22 0.00 0.00 33.01 29.74 2kem s GLN 192 CO 0.00 0.04 0.59 -1.21 -0.25 0.00 0.00 175.29 174.46 2kem s GLU 193 N -1.39 0.54 0.00 2.91 0.41 -1.26 -4.09 118.70 115.82 2kem s GLU 193 Ca 0.47 1.25 0.00 0.00 -0.41 0.00 0.00 54.97 56.28 2kem s GLU 193 Cb -0.35 0.48 0.00 0.00 -1.78 0.00 0.00 34.13 32.48 2kem s GLU 193 CO 0.44 -0.19 0.00 0.09 -0.49 0.00 0.00 175.26 175.11