#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ntk n GLY -2 N 0.00 -0.97 0.04 5.14 0.00 -1.26 0.23 105.19 108.37 2ntk n GLY -2 Ca 0.00 0.82 0.10 0.00 0.00 0.00 0.00 46.02 46.93 2ntk n GLY -2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ntk n SER -1 N -5.20 0.20 -4.30 1.61 3.41 -1.26 -4.33 113.62 103.75 2ntk n SER -1 Ca 0.28 0.54 -0.46 0.00 -0.26 0.00 0.00 58.87 58.97 2ntk n SER -1 Cb 0.93 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 2ntk n SER -1 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2ntk s HIS 0 N -3.08 3.70 -2.04 7.33 3.76 0.14 -4.87 115.29 120.23 2ntk s HIS 0 Ca 0.08 -2.04 0.17 0.00 -0.15 0.00 0.00 55.06 53.12 2ntk s HIS 0 Cb 0.11 -3.75 0.49 0.00 1.11 0.00 0.00 32.58 30.54 2ntk s HIS 0 CO 0.35 -0.98 1.40 -1.33 -0.85 0.00 0.00 174.74 173.34 2ntk n MET 1 N 3.99 2.23 -3.28 1.40 2.81 -1.26 -4.81 117.12 118.20 2ntk n MET 1 Ca 0.12 -1.91 -0.42 0.00 -1.81 0.00 0.00 57.70 53.67 2ntk n MET 1 Cb 0.46 -1.42 -0.08 0.00 -0.71 0.00 0.00 33.22 31.46 2ntk n MET 1 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 2ntk s TYR 2 N -1.32 3.17 -1.81 2.03 5.04 -1.26 -1.80 117.35 121.41 2ntk s TYR 2 Ca 0.36 -0.03 0.22 0.00 -2.44 0.00 0.00 57.07 55.18 2ntk s TYR 2 Cb 0.19 -2.91 -0.06 0.00 0.35 0.00 0.00 41.96 39.52 2ntk s TYR 2 CO 0.25 -0.60 1.05 1.28 -1.34 0.00 0.00 175.55 176.19 2ntk n LEU 3 N 5.69 1.81 0.00 6.97 4.32 -1.26 -4.64 117.00 129.89 2ntk n LEU 3 Ca -0.06 -0.70 0.00 0.00 -0.02 0.00 0.00 56.01 55.23 2ntk n LEU 3 Cb 0.48 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 2ntk n LEU 3 CO 0.45 0.35 0.00 0.61 -1.22 0.00 0.00 177.39 177.58 2ntk n GLY 4 N 1.44 1.34 3.74 -0.72 0.00 -1.26 -1.68 105.19 108.05 2ntk n GLY 4 Ca 0.08 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 2ntk n GLY 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ntk s ARG 5 N 0.00 4.64 0.03 1.61 3.00 -1.26 -3.18 118.95 123.80 2ntk s ARG 5 Ca 0.00 1.31 0.06 0.00 0.00 0.00 0.00 55.73 57.10 2ntk s ARG 5 Cb 0.00 -3.35 -0.02 0.00 0.00 0.00 0.00 34.95 31.58 2ntk s ARG 5 CO 0.00 0.30 -0.19 0.42 0.00 0.00 0.00 175.30 175.84 2ntk s ILE 6 N -0.25 1.48 0.04 1.52 1.01 -0.47 -1.57 121.20 122.95 2ntk s ILE 6 Ca 0.43 -1.08 0.02 0.00 0.00 0.00 0.00 60.65 60.01 2ntk s ILE 6 Cb -0.23 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 2ntk s ILE 6 CO 0.28 0.18 -0.07 -1.48 0.00 0.00 0.00 174.94 173.85 2ntk s LEU 7 N -1.05 2.25 0.05 2.97 0.05 -0.58 -0.73 118.68 121.64 2ntk s LEU 7 Ca 0.06 -0.53 0.03 0.00 0.05 0.00 0.00 54.13 53.73 2ntk s LEU 7 Cb -0.08 -0.10 -0.02 0.00 -2.05 0.00 0.00 46.19 43.93 2ntk s LEU 7 CO 0.01 -0.22 -0.09 0.00 -0.55 0.00 0.00 176.35 175.50 2ntk s ALA 8 N -1.39 0.71 -0.06 1.48 0.00 -0.14 -1.39 121.76 120.97 2ntk s ALA 8 Ca -0.11 -0.79 -0.19 0.00 0.00 0.00 0.00 51.96 50.87 2ntk s ALA 8 Cb -0.10 0.00 0.04 0.00 0.00 0.00 0.00 23.12 23.06 2ntk s ALA 8 CO 0.00 0.03 0.43 0.54 0.00 0.00 0.00 175.76 176.77 2ntk s VAL 9 N -1.28 0.03 -5.00 0.00 0.11 -0.31 -0.53 120.40 113.43 2ntk s VAL 9 Ca -0.07 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 2ntk s VAL 9 Cb -0.10 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 2ntk s VAL 9 CO 0.01 -0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.25 2ntk n GLY 10 N 1.58 -0.28 3.07 6.54 0.00 -0.87 -1.57 105.19 113.65 2ntk n GLY 10 Ca -0.19 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 2ntk n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ntk s ARG 11 N -2.00 0.54 0.21 1.61 0.52 -1.26 -0.96 118.95 117.62 2ntk s ARG 11 Ca 0.00 -0.78 0.04 0.00 -0.52 0.00 0.00 55.73 54.47 2ntk s ARG 11 Cb 0.00 -0.29 -0.01 0.00 0.52 0.00 0.00 34.95 35.16 2ntk s ARG 11 CO 0.00 0.05 0.13 0.27 0.02 0.00 0.00 175.30 175.77 2ntk n ASN 12 N 1.41 0.23 0.33 0.23 0.23 -0.00 -4.44 115.26 113.25 2ntk n ASN 12 Ca -0.22 -2.29 0.22 0.00 -0.53 0.00 0.00 54.58 51.76 2ntk n ASN 12 Cb 0.55 0.82 1.16 0.00 -2.08 0.00 0.00 39.78 40.24 2ntk n ASN 12 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2ntk h SER 13 N 1.10 0.00 0.86 0.53 4.64 -1.94 -2.38 113.55 116.35 2ntk h SER 13 Ca -0.16 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 2ntk h SER 13 Cb 0.71 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2ntk h SER 13 CO 0.24 0.00 -1.15 0.59 -0.87 0.00 0.00 176.83 175.64 2ntk n ASN 14 N -3.15 0.75 0.00 4.97 3.02 -1.26 -5.08 115.26 114.51 2ntk n ASN 14 Ca -0.03 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 2ntk n ASN 14 Cb 0.10 0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.88 2ntk n ASN 14 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ntk n GLY 15 N 1.21 -0.25 3.77 7.41 0.00 -0.90 -4.47 105.19 111.95 2ntk n GLY 15 Ca -0.01 -1.42 -0.25 0.00 0.00 0.00 0.00 46.02 44.34 2ntk n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ntk s SER 16 N -4.00 5.30 0.23 1.61 1.04 -0.61 -0.82 113.70 116.44 2ntk s SER 16 Ca 0.00 -0.26 -0.23 0.00 0.48 0.00 0.00 55.95 55.95 2ntk s SER 16 Cb 0.00 -1.30 0.04 0.00 0.10 0.00 0.00 66.02 64.86 2ntk s SER 16 CO 0.00 0.04 0.83 0.72 0.98 0.00 0.00 173.24 175.81 2ntk s PHE 17 N -1.90 -0.15 0.00 5.02 -0.12 -0.13 -0.79 117.98 119.91 2ntk s PHE 17 Ca 0.31 -0.25 0.00 0.00 -0.05 0.00 0.00 56.93 56.94 2ntk s PHE 17 Cb -0.09 0.68 -0.00 0.00 -0.63 0.00 0.00 43.02 42.98 2ntk s PHE 17 CO 0.23 -1.06 -0.01 0.14 -0.05 0.00 0.00 175.22 174.46 2ntk s VAL 18 N -3.57 0.06 0.03 -2.49 -7.23 -0.87 -2.05 120.40 104.28 2ntk s VAL 18 Ca 0.12 -0.21 0.02 0.00 -1.81 0.00 0.00 61.98 60.09 2ntk s VAL 18 Cb -0.04 -0.09 -0.02 0.00 0.56 0.00 0.00 36.38 36.79 2ntk s VAL 18 CO 0.05 -0.10 -0.06 0.00 -0.31 0.00 0.00 175.10 174.68 2ntk s ALA 19 N -0.32 0.44 0.00 1.32 0.00 0.31 -1.36 121.76 122.16 2ntk s ALA 19 Ca -0.03 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.36 2ntk s ALA 19 Cb -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2ntk s ALA 19 CO -0.00 -0.01 -0.03 -0.47 0.00 0.00 0.00 175.76 175.25 2ntk s TYR 20 N -1.03 0.29 -0.02 0.00 5.04 0.68 -0.96 117.35 121.35 2ntk s TYR 20 Ca -0.08 -0.13 -0.00 0.00 -2.44 0.00 0.00 57.07 54.42 2ntk s TYR 20 Cb -0.08 -0.18 0.03 0.00 0.35 0.00 0.00 41.96 42.07 2ntk s TYR 20 CO 0.00 -0.03 0.03 0.50 -1.34 0.00 0.00 175.55 174.71 2ntk s ARG 21 N -0.32 -0.03 -0.23 4.97 3.52 0.09 -0.74 118.95 126.20 2ntk s ARG 21 Ca -0.01 0.16 -0.14 0.00 -0.13 0.00 0.00 55.73 55.61 2ntk s ARG 21 Cb -0.03 -0.22 -0.04 0.00 -1.56 0.00 0.00 34.95 33.11 2ntk s ARG 21 CO -0.00 -0.15 0.33 0.08 -0.81 0.00 0.00 175.30 174.75 2ntk s VAL 22 N 0.93 5.23 -0.05 7.11 1.01 0.91 -1.37 120.40 134.18 2ntk s VAL 22 Ca -0.08 0.54 0.06 0.00 0.00 0.00 0.00 61.98 62.50 2ntk s VAL 22 Cb -0.11 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2ntk s VAL 22 CO -0.03 0.25 -0.23 -0.44 0.00 0.00 0.00 175.10 174.66 2ntk s SER 23 N 1.21 3.31 -0.17 3.32 0.01 -1.19 -0.67 113.70 119.52 2ntk s SER 23 Ca 0.15 -0.42 -0.25 0.00 1.31 0.00 0.00 55.95 56.73 2ntk s SER 23 Cb -0.15 -0.69 0.06 0.00 0.21 0.00 0.00 66.02 65.46 2ntk s SER 23 CO 0.08 0.29 0.65 -0.55 0.41 0.00 0.00 173.24 174.12 2ntk s SER 24 N -0.43 -0.66 -0.23 2.44 0.15 -0.57 -4.23 113.70 110.18 2ntk s SER 24 Ca 0.04 1.06 -0.11 0.00 0.70 0.00 0.00 55.95 57.65 2ntk s SER 24 Cb -0.12 1.02 -0.10 0.00 -1.71 0.00 0.00 66.02 65.12 2ntk s SER 24 CO 0.01 -0.37 -0.29 0.54 1.20 0.00 0.00 173.24 174.33 2ntk n ARG 25 N 2.01 0.48 0.05 5.44 1.74 -1.26 -4.48 116.66 120.65 2ntk n ARG 25 Ca -0.16 0.21 0.12 0.00 -0.77 0.00 0.00 57.85 57.25 2ntk n ARG 25 Cb 0.56 -1.31 0.23 0.00 -1.02 0.00 0.00 32.46 30.92 2ntk n ARG 25 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2ntk n SER 26 N -3.98 0.64 -3.18 0.55 3.41 -1.26 -4.41 113.62 105.39 2ntk n SER 26 Ca -0.44 0.12 -0.21 0.00 -0.26 0.00 0.00 58.87 58.08 2ntk n SER 26 Cb 0.82 0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.78 2ntk n SER 26 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2ntk n PHE 27 N -1.99 0.56 0.79 7.33 3.01 -1.26 -4.93 117.46 120.96 2ntk n PHE 27 Ca 0.04 -3.79 0.13 0.00 1.01 0.00 0.00 57.45 54.85 2ntk n PHE 27 Cb 0.42 -0.41 0.51 0.00 -0.01 0.00 0.00 39.48 39.98 2ntk n PHE 27 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2ntk n PRO 28 N 0.54 0.11 -1.62 -1.08 -0.04 -1.26 -4.35 135.00 127.30 2ntk n PRO 28 Ca 0.25 0.12 -0.37 0.00 -0.04 0.00 0.00 63.50 63.46 2ntk n PRO 28 Cb 0.59 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 2ntk n PRO 28 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2ntk n ASN 29 N -1.84 8.13 -4.13 3.54 5.03 -1.26 -4.88 115.26 119.85 2ntk n ASN 29 Ca 0.06 -2.87 -0.10 0.00 0.87 0.00 0.00 54.58 52.54 2ntk n ASN 29 Cb 0.36 -1.44 -0.10 0.00 -1.02 0.00 0.00 39.78 37.57 2ntk n ASN 29 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2ntk s ARG 30 N 0.35 0.71 0.27 3.52 0.52 -1.26 -1.91 118.95 121.15 2ntk s ARG 30 Ca 0.62 -1.19 0.00 0.00 -0.52 0.00 0.00 55.73 54.64 2ntk s ARG 30 Cb 0.20 -0.10 -0.03 0.00 0.52 0.00 0.00 34.95 35.54 2ntk s ARG 30 CO -0.08 -0.03 0.26 -0.08 0.02 0.00 0.00 175.30 175.39 2ntk s THR 31 N -3.26 0.00 -0.02 0.02 -1.32 0.11 -4.69 115.64 106.47 2ntk s THR 31 Ca 0.06 -1.88 0.01 0.00 -1.21 0.00 0.00 61.69 58.67 2ntk s THR 31 Cb 0.03 -2.49 -0.03 0.00 -1.51 0.00 0.00 72.50 68.50 2ntk s THR 31 CO -0.05 0.00 -0.01 0.42 -2.21 0.00 0.00 174.62 172.77 2ntk s THR 32 N -3.76 4.13 -0.07 5.08 -4.23 -1.26 -1.30 115.64 114.23 2ntk s THR 32 Ca 0.36 -0.52 0.02 0.00 -1.18 0.00 0.00 61.69 60.37 2ntk s THR 32 Cb 0.04 -2.81 0.02 0.00 1.34 0.00 0.00 72.50 71.09 2ntk s THR 32 CO 0.18 0.44 -0.10 -0.55 -0.54 0.00 0.00 174.62 174.05 2ntk s SER 33 N -1.35 1.64 -0.11 3.99 0.15 0.74 -4.95 113.70 113.81 2ntk s SER 33 Ca 0.18 -0.26 -0.20 0.00 0.70 0.00 0.00 55.95 56.36 2ntk s SER 33 Cb -0.11 -0.75 -0.04 0.00 -1.71 0.00 0.00 66.02 63.41 2ntk s SER 33 CO 0.08 -0.00 0.56 -0.63 1.20 0.00 0.00 173.24 174.44 2ntk s ILE 34 N 0.83 5.14 0.25 6.45 1.01 -1.26 -0.30 121.20 133.31 2ntk s ILE 34 Ca -0.12 1.12 0.03 0.00 0.00 0.00 0.00 60.65 61.68 2ntk s ILE 34 Cb -0.15 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 2ntk s ILE 34 CO 0.02 0.29 0.11 0.00 0.00 0.00 0.00 174.94 175.36 2ntk n GLN 35 N 3.78 0.63 -1.58 2.79 1.13 0.16 -5.00 117.38 119.28 2ntk n GLN 35 Ca -0.05 -2.15 -0.45 0.00 -1.94 0.00 0.00 57.00 52.41 2ntk n GLN 35 Cb 0.51 1.27 -0.04 0.00 0.11 0.00 0.00 30.24 32.10 2ntk n GLN 35 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2ntk n GLU 36 N -0.54 1.88 -1.99 -1.09 2.13 -1.26 -2.33 120.64 117.43 2ntk n GLU 36 Ca -0.02 0.55 -0.19 0.00 0.66 0.00 0.00 57.16 58.15 2ntk n GLU 36 Cb 0.38 -3.01 -0.05 0.00 0.27 0.00 0.00 31.44 29.04 2ntk n GLU 36 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2ntk n GLU 37 N 8.37 -1.60 -3.44 5.31 -0.58 -1.26 -4.95 120.64 122.50 2ntk n GLU 37 Ca 0.31 1.05 -0.13 0.00 -0.42 0.00 0.00 57.16 57.97 2ntk n GLU 37 Cb 0.39 -5.56 -0.03 0.00 -0.57 0.00 0.00 31.44 25.67 2ntk n GLU 37 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2ntk s ARG 38 N -4.36 1.24 -0.08 3.49 1.70 -0.98 -0.31 118.95 119.64 2ntk s ARG 38 Ca 0.00 -0.37 0.02 0.00 -0.47 0.00 0.00 55.73 54.91 2ntk s ARG 38 Cb 0.00 0.57 0.01 0.00 -0.57 0.00 0.00 34.95 34.97 2ntk s ARG 38 CO 0.00 -0.52 -0.13 0.08 -1.08 0.00 0.00 175.30 173.65 2ntk s VAL 39 N -3.39 1.24 0.07 4.99 1.01 -0.14 -0.67 120.40 123.52 2ntk s VAL 39 Ca -0.01 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.51 2ntk s VAL 39 Cb -0.01 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 2ntk s VAL 39 CO -0.10 0.39 -0.07 0.00 0.00 0.00 0.00 175.10 175.31 2ntk s ALA 40 N 0.86 3.03 -0.28 5.51 0.00 0.59 -0.58 121.76 130.88 2ntk s ALA 40 Ca -0.10 -1.15 -0.11 0.00 0.00 0.00 0.00 51.96 50.59 2ntk s ALA 40 Cb -0.15 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 2ntk s ALA 40 CO 0.01 0.64 0.21 0.08 0.00 0.00 0.00 175.76 176.71 2ntk s VAL 41 N -1.16 5.29 0.06 0.00 1.01 0.13 -0.19 120.40 125.55 2ntk s VAL 41 Ca 0.21 0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.39 2ntk s VAL 41 Cb -0.11 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2ntk s VAL 41 CO 0.13 0.23 -0.03 0.68 0.00 0.00 0.00 175.10 176.11 2ntk s VAL 42 N 1.79 0.30 0.58 2.92 -7.23 -0.42 -1.78 120.40 116.57 2ntk s VAL 42 Ca 0.08 -1.84 -0.18 0.00 -1.81 0.00 0.00 61.98 58.23 2ntk s VAL 42 Cb -0.16 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 2ntk s VAL 42 CO 0.11 -0.94 1.15 -2.84 -0.31 0.00 0.00 175.10 172.26 2ntk s PRO 43 N -3.91 3.11 0.66 4.82 0.02 -1.26 -0.72 135.00 137.73 2ntk s PRO 43 Ca 0.09 1.62 -0.11 0.00 0.02 0.00 0.00 61.00 62.62 2ntk s PRO 43 Cb 0.07 -1.97 -0.01 0.00 0.02 0.00 0.00 34.50 32.61 2ntk s PRO 43 CO -0.08 -1.05 1.05 0.14 -0.33 0.00 0.00 177.00 176.74 2ntk s VAL 44 N -1.85 4.21 0.15 3.83 -7.23 -0.80 -4.70 120.40 114.01 2ntk s VAL 44 Ca 0.73 0.72 -0.34 0.00 -1.81 0.00 0.00 61.98 61.28 2ntk s VAL 44 Cb -0.25 -3.64 -0.16 0.00 0.56 0.00 0.00 36.38 32.89 2ntk s VAL 44 CO 0.32 -0.94 1.22 1.21 -0.31 0.00 0.00 175.10 176.60 2ntk n GLU 45 N -2.93 1.17 -0.20 4.82 2.13 -1.26 -1.72 120.64 122.65 2ntk n GLU 45 Ca 0.07 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.30 2ntk n GLU 45 Cb 0.55 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.30 2ntk n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ntk n GLY 46 N 2.17 0.68 0.15 8.31 0.00 -1.26 -4.89 105.19 110.35 2ntk n GLY 46 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 2ntk n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ntk n HIS 47 N -2.00 0.00 -0.34 1.61 8.25 -0.70 -4.85 115.22 117.19 2ntk n HIS 47 Ca 0.00 -0.43 0.20 0.00 -0.26 0.00 0.00 57.72 57.24 2ntk n HIS 47 Cb 0.00 -0.07 0.44 0.00 1.12 0.00 0.00 29.99 31.48 2ntk n HIS 47 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2ntk h GLU 48 N 0.00 0.48 0.00 -0.41 3.07 -1.88 -0.59 114.58 115.25 2ntk h GLU 48 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2ntk h GLU 48 Cb 0.99 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 2ntk h GLU 48 CO 0.00 0.32 0.00 0.54 -1.40 0.00 0.00 179.01 178.47 2ntk n ARG 49 N -4.81 0.04 0.24 2.33 1.74 -1.26 -2.76 116.66 112.17 2ntk n ARG 49 Ca 0.27 0.31 0.07 0.00 -0.77 0.00 0.00 57.85 57.73 2ntk n ARG 49 Cb 0.82 -1.50 0.57 0.00 -1.02 0.00 0.00 32.46 31.33 2ntk n ARG 49 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2ntk h ASP 50 N 0.00 0.00 0.27 0.55 3.32 -1.50 -1.60 116.42 117.46 2ntk h ASP 50 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ntk h ASP 50 Cb 0.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 2ntk h ASP 50 CO 0.00 0.15 -0.01 -0.37 -1.72 0.00 0.00 179.24 177.29 2ntk h VAL 51 N 0.00 0.10 -0.00 -1.35 -1.51 -1.74 0.59 116.25 112.33 2ntk h VAL 51 Ca -0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 2ntk h VAL 51 Cb 0.29 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 2ntk h VAL 51 CO 0.02 0.01 -0.42 0.49 -1.23 0.00 0.00 177.57 176.44 2ntk n PHE 52 N -3.19 0.00 -0.05 5.19 3.01 -0.60 -3.91 117.46 117.90 2ntk n PHE 52 Ca -0.02 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.32 2ntk n PHE 52 Cb 0.14 -0.21 -0.14 0.00 -0.01 0.00 0.00 39.48 39.26 2ntk n PHE 52 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2ntk n ARG 53 N -1.24 0.67 -3.68 -1.08 1.74 0.14 -4.89 116.66 108.33 2ntk n ARG 53 Ca 0.08 0.20 -0.15 0.00 -0.77 0.00 0.00 57.85 57.20 2ntk n ARG 53 Cb 0.34 -1.68 -0.14 0.00 -1.02 0.00 0.00 32.46 29.95 2ntk n ARG 53 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2ntk s ASN 54 N -6.13 0.43 0.00 0.55 3.84 -0.86 -5.04 114.94 107.73 2ntk s ASN 54 Ca -0.12 0.44 0.23 0.00 0.21 0.00 0.00 52.86 53.62 2ntk s ASN 54 Cb 0.07 0.44 1.38 0.00 -0.55 0.00 0.00 41.25 42.59 2ntk s ASN 54 CO 0.80 -0.23 1.78 -0.81 -2.79 0.00 0.00 177.10 175.85 2ntk n PRO 55 N 5.13 0.81 -0.13 0.43 -0.04 -1.26 -3.67 135.00 136.28 2ntk n PRO 55 Ca -0.09 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.43 2ntk n PRO 55 Cb 0.50 -1.44 0.12 0.00 -0.04 0.00 0.00 33.50 32.64 2ntk n PRO 55 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ntk n TYR 56 N -0.94 0.33 0.57 0.54 0.53 -1.26 -4.66 117.16 112.27 2ntk n TYR 56 Ca 0.17 -0.35 0.11 0.00 -1.02 0.00 0.00 57.90 56.81 2ntk n TYR 56 Cb 0.08 -0.02 -0.06 0.00 -1.03 0.00 0.00 39.34 38.31 2ntk n TYR 56 CO 0.00 0.00 0.00 0.44 -1.02 0.00 0.00 176.86 176.28 2ntk n ILE 57 N 0.56 0.08 -4.77 -0.72 -5.35 -1.24 -4.88 119.36 103.03 2ntk n ILE 57 Ca 0.10 -0.22 -0.29 0.00 -0.27 0.00 0.00 62.75 62.07 2ntk n ILE 57 Cb 0.38 0.40 -0.17 0.00 -1.74 0.00 0.00 39.64 38.52 2ntk n ILE 57 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ntk s ALA 58 N -3.21 1.73 -0.10 -1.28 0.00 -1.26 -4.63 121.76 113.02 2ntk s ALA 58 Ca 0.02 -0.72 -0.33 0.00 0.00 0.00 0.00 51.96 50.94 2ntk s ALA 58 Cb 0.15 -0.74 0.13 0.00 0.00 0.00 0.00 23.12 22.66 2ntk s ALA 58 CO 0.84 0.12 1.32 1.52 0.00 0.00 0.00 175.76 179.56 2ntk s TYR 59 N 0.64 -0.05 -0.11 0.00 -0.85 -0.74 -4.86 117.35 111.38 2ntk s TYR 59 Ca -0.14 -0.01 -0.28 0.00 -0.52 0.00 0.00 57.07 56.12 2ntk s TYR 59 Cb -0.16 0.53 -0.01 0.00 0.38 0.00 0.00 41.96 42.69 2ntk s TYR 59 CO 0.04 -0.18 0.94 -0.80 -1.52 0.00 0.00 175.55 174.03 2ntk s ASN 60 N -2.73 7.16 0.06 -0.18 0.01 -1.26 0.22 114.94 118.22 2ntk s ASN 60 Ca 0.13 1.43 0.22 0.00 -0.71 0.00 0.00 52.86 53.93 2ntk s ASN 60 Cb 0.04 -2.52 -0.10 0.00 0.41 0.00 0.00 41.25 39.07 2ntk s ASN 60 CO -0.04 -0.41 0.85 0.00 -1.51 0.00 0.00 177.10 175.99 2ntk s ILE 62 N -3.32 -0.02 -0.02 0.00 1.01 -1.05 -1.43 121.20 116.36 2ntk s ILE 62 Ca -0.01 0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.74 2ntk s ILE 62 Cb 0.13 -0.14 0.01 0.00 0.01 0.00 0.00 42.46 42.47 2ntk s ILE 62 CO 0.84 0.04 -0.03 -0.13 0.00 0.00 0.00 174.94 175.65 2ntk s ARG 63 N 0.53 0.50 -0.20 2.79 1.81 -0.42 -0.97 118.95 122.98 2ntk s ARG 63 Ca -0.04 -0.09 -0.04 0.00 -1.72 0.00 0.00 55.73 53.84 2ntk s ARG 63 Cb -0.06 -0.55 -0.02 0.00 -0.45 0.00 0.00 34.95 33.88 2ntk s ARG 63 CO -0.02 -0.01 -0.03 0.42 -0.68 0.00 0.00 175.30 174.98 2ntk s ILE 64 N 0.49 3.63 -0.29 1.52 -1.09 0.58 -0.81 121.20 125.23 2ntk s ILE 64 Ca -0.06 -0.42 0.02 0.00 -2.23 0.00 0.00 60.65 57.96 2ntk s ILE 64 Cb -0.09 -2.64 0.08 0.00 -1.58 0.00 0.00 42.46 38.24 2ntk s ILE 64 CO -0.00 0.43 0.02 0.68 -1.23 0.00 0.00 174.94 174.83 2ntk s VAL 65 N 1.18 1.69 0.00 2.92 -7.23 0.12 -4.89 120.40 114.18 2ntk s VAL 65 Ca 0.02 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 2ntk s VAL 65 Cb -0.14 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.68 2ntk s VAL 65 CO -0.00 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 2ntk n GLY 66 N 4.55 3.99 0.26 2.32 0.00 -1.26 -0.76 105.19 114.29 2ntk n GLY 66 Ca -0.04 0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.17 2ntk n GLY 66 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ntk n ASP 67 N 6.98 0.80 -4.66 1.61 5.75 -1.26 -4.87 116.55 120.90 2ntk n ASP 67 Ca 0.00 -1.33 -0.35 0.00 -0.01 0.00 0.00 54.79 53.10 2ntk n ASP 67 Cb 0.00 -0.01 -0.10 0.00 -1.03 0.00 0.00 41.12 39.98 2ntk n ASP 67 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2ntk s THR 68 N -1.98 4.48 -0.15 2.12 2.01 0.06 -4.14 115.64 118.05 2ntk s THR 68 Ca 0.40 -0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.20 2ntk s THR 68 Cb 0.20 -2.94 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 2ntk s THR 68 CO 0.33 0.56 -0.06 0.00 -0.69 0.00 0.00 174.62 174.75 2ntk s ALA 69 N -0.41 2.91 -0.06 7.40 0.00 -0.13 -0.70 121.76 130.78 2ntk s ALA 69 Ca 0.08 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.26 2ntk s ALA 69 Cb -0.12 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 2ntk s ALA 69 CO 0.02 0.24 -0.21 0.08 0.00 0.00 0.00 175.76 175.89 2ntk s VAL 70 N 0.31 2.41 -0.00 0.00 1.01 0.01 -0.90 120.40 123.23 2ntk s VAL 70 Ca -0.05 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.00 2ntk s VAL 70 Cb -0.14 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 2ntk s VAL 70 CO 0.04 0.57 -0.06 0.54 0.00 0.00 0.00 175.10 176.18 2ntk s VAL 71 N -0.27 0.48 0.11 2.92 0.11 -0.06 -1.30 120.40 122.39 2ntk s VAL 71 Ca 0.00 -0.28 -0.26 0.00 -2.93 0.00 0.00 61.98 58.52 2ntk s VAL 71 Cb -0.13 -0.41 0.07 0.00 -1.53 0.00 0.00 36.38 34.39 2ntk s VAL 71 CO 0.03 0.12 0.87 -0.94 -3.33 0.00 0.00 175.10 171.85 2ntk s SER 72 N -0.18 -0.30 -0.10 3.54 1.04 -0.51 -0.74 113.70 116.46 2ntk s SER 72 Ca 0.02 -0.23 0.10 0.00 0.48 0.00 0.00 55.95 56.32 2ntk s SER 72 Cb -0.03 0.48 0.46 0.00 0.10 0.00 0.00 66.02 67.04 2ntk s SER 72 CO -0.00 -0.85 1.27 -0.46 0.98 0.00 0.00 173.24 174.18 2ntk n ASN 73 N -0.38 3.42 -0.93 7.02 6.94 -1.13 -4.39 115.26 125.81 2ntk n ASN 73 Ca -0.08 -2.40 0.00 0.00 -0.02 0.00 0.00 54.58 52.08 2ntk n ASN 73 Cb 0.61 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 2ntk n ASN 73 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2ntk n GLY 74 N 0.61 1.95 0.00 4.83 0.00 -1.26 -4.97 105.19 106.35 2ntk n GLY 74 Ca 0.16 -0.98 0.06 0.00 0.00 0.00 0.00 46.02 45.26 2ntk n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ntk n SER 75 N -0.86 0.00 0.00 1.61 3.41 -1.26 -2.04 113.62 114.47 2ntk n SER 75 Ca 0.00 0.49 0.06 0.00 -0.26 0.00 0.00 58.87 59.17 2ntk n SER 75 Cb 0.00 -0.49 0.32 0.00 -0.26 0.00 0.00 64.21 63.78 2ntk n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ntk n HIS 76 N -1.49 0.00 -0.28 7.33 1.44 -1.26 -1.91 115.22 119.05 2ntk n HIS 76 Ca 0.03 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.68 2ntk n HIS 76 Cb 0.14 -0.34 0.06 0.00 0.12 0.00 0.00 29.99 29.97 2ntk n HIS 76 CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 2ntk h THR 77 N 0.00 1.25 -0.06 0.61 2.02 -1.65 -0.69 112.91 114.39 2ntk h THR 77 Ca 0.00 -0.73 -0.24 0.00 0.77 0.00 0.00 66.41 66.22 2ntk h THR 77 Cb 0.15 0.31 0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2ntk h THR 77 CO 0.00 0.30 -0.90 0.44 0.37 0.00 0.00 175.52 175.73 2ntk h ASP 78 N 1.09 0.82 -0.53 4.18 3.32 -1.64 -0.79 116.42 122.87 2ntk h ASP 78 Ca 0.26 -0.60 0.03 0.00 0.02 0.00 0.00 57.03 56.74 2ntk h ASP 78 Cb 0.15 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 2ntk h ASP 78 CO -0.03 1.39 0.32 0.74 -1.72 0.00 0.00 179.24 179.94 2ntk h THR 79 N 0.41 1.05 0.01 0.35 2.02 -1.47 0.90 112.91 116.18 2ntk h THR 79 Ca -0.08 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 2ntk h THR 79 Cb 1.54 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 2ntk h THR 79 CO 0.17 0.11 -0.01 0.40 0.37 0.00 0.00 175.52 176.57 2ntk h ILE 80 N 0.63 1.41 -0.85 3.11 2.04 -1.14 -2.91 117.51 119.80 2ntk h ILE 80 Ca 0.22 -1.30 0.06 0.00 1.00 0.00 0.00 64.86 64.84 2ntk h ILE 80 Cb 0.03 2.29 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 2ntk h ILE 80 CO -0.10 0.33 0.52 0.00 0.00 0.00 0.00 178.15 178.91 2ntk h ALA 81 N 0.39 1.17 -0.73 1.87 0.00 -1.03 -1.44 119.26 119.49 2ntk h ALA 81 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ntk h ALA 81 Cb 0.56 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2ntk h ALA 81 CO 0.00 0.25 0.46 -0.44 0.00 0.00 0.00 179.25 179.53 2ntk h ASP 82 N 0.95 0.86 -0.66 0.00 3.32 -0.86 -0.31 116.42 119.71 2ntk h ASP 82 Ca 0.37 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.30 2ntk h ASP 82 Cb 0.19 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 2ntk h ASP 82 CO -0.18 0.65 0.09 0.11 -1.72 0.00 0.00 179.24 178.19 2ntk h LYS 83 N 1.00 1.11 -0.56 3.56 1.79 -1.16 -0.96 116.57 121.36 2ntk h LYS 83 Ca 0.26 -0.31 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 2ntk h LYS 83 Cb -0.07 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.43 2ntk h LYS 83 CO -0.05 1.03 0.24 0.28 -1.08 0.00 0.00 179.45 179.87 2ntk h VAL 84 N 1.03 1.21 -0.65 0.50 2.07 -0.92 -1.76 116.25 117.74 2ntk h VAL 84 Ca 0.20 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 2ntk h VAL 84 Cb 0.47 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2ntk h VAL 84 CO 0.02 0.25 0.32 0.00 0.02 0.00 0.00 177.57 178.18 2ntk h ALA 85 N 1.08 1.35 -0.16 1.67 0.00 -0.73 -1.90 119.26 120.57 2ntk h ALA 85 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2ntk h ALA 85 Cb 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2ntk h ALA 85 CO -0.02 0.52 0.00 1.28 0.00 0.00 0.00 179.25 181.03 2ntk n LEU 86 N -4.35 1.32 -0.60 0.00 4.77 -0.39 -4.95 117.00 112.78 2ntk n LEU 86 Ca 0.06 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 2ntk n LEU 86 Cb 0.12 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2ntk n LEU 86 CO 0.38 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2ntk n GLY 87 N 1.03 -1.24 3.64 -0.72 0.00 -0.70 -5.05 105.19 102.14 2ntk n GLY 87 Ca 0.14 -0.56 -0.04 0.00 0.00 0.00 0.00 46.02 45.56 2ntk n GLY 87 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ntk s MET 88 N -0.07 0.48 0.83 1.61 0.00 -1.11 -4.90 119.30 116.14 2ntk s MET 88 Ca 0.00 0.85 -0.13 0.00 0.00 0.00 0.00 55.69 56.41 2ntk s MET 88 Cb 0.00 0.12 0.09 0.00 0.00 0.00 0.00 34.83 35.04 2ntk s MET 88 CO 0.00 -0.10 1.16 0.27 0.00 0.00 0.00 175.02 176.34 2ntk n ASN 89 N 3.97 0.79 -0.18 1.11 0.23 -1.26 -4.37 115.26 115.55 2ntk n ASN 89 Ca -0.19 0.55 -0.04 0.00 -0.53 0.00 0.00 54.58 54.38 2ntk n ASN 89 Cb 0.58 -1.49 0.06 0.00 -2.08 0.00 0.00 39.78 36.85 2ntk n ASN 89 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2ntk h LEU 90 N -1.06 0.37 -0.27 -4.53 3.38 -1.99 -1.59 115.31 109.62 2ntk h LEU 90 Ca -0.46 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.56 2ntk h LEU 90 Cb 1.30 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 2ntk h LEU 90 CO 0.45 0.25 0.13 -0.09 0.09 0.00 0.00 178.44 179.27 2ntk h ARG 91 N 0.51 0.27 -0.15 1.13 2.43 -1.97 -1.67 114.38 114.92 2ntk h ARG 91 Ca 0.24 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.25 2ntk h ARG 91 Cb 0.16 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2ntk h ARG 91 CO -0.17 0.18 -0.52 -0.44 -1.51 0.00 0.00 179.97 177.50 2ntk h ASP 92 N 0.28 0.48 -0.31 -3.80 3.32 -1.90 0.74 116.42 115.23 2ntk h ASP 92 Ca 0.11 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2ntk h ASP 92 Cb 0.04 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2ntk h ASP 92 CO -0.08 0.92 0.17 0.00 -1.72 0.00 0.00 179.24 178.52 2ntk h ALA 93 N 1.10 0.40 -0.11 3.45 0.00 -1.03 0.17 119.26 123.23 2ntk h ALA 93 Ca 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2ntk h ALA 93 Cb 1.03 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2ntk h ALA 93 CO 0.09 -0.07 -0.14 0.82 0.00 0.00 0.00 179.25 179.96 2ntk h ILE 94 N 0.38 1.37 -0.25 0.00 2.04 -1.27 -2.69 117.51 117.09 2ntk h ILE 94 Ca 0.11 -1.34 0.03 0.00 1.00 0.00 0.00 64.86 64.66 2ntk h ILE 94 Cb 0.07 2.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 2ntk h ILE 94 CO -0.02 0.38 0.06 1.23 0.00 0.00 0.00 178.15 179.81 2ntk h GLY 95 N -0.13 0.29 0.95 5.37 0.00 -0.66 -1.15 103.07 107.74 2ntk h GLY 95 Ca 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 2ntk h GLY 95 CO 0.03 0.00 0.12 -2.00 0.00 0.00 0.00 176.54 174.69 2ntk h LEU 96 N 0.16 0.65 -0.57 3.11 5.85 -0.75 -1.17 115.31 122.58 2ntk h LEU 96 Ca 0.11 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 2ntk h LEU 96 Cb 0.10 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2ntk h LEU 96 CO -0.14 0.70 0.23 0.28 -0.34 0.00 0.00 178.44 179.17 2ntk h SER 97 N 0.56 0.79 0.00 1.25 0.02 -1.31 -1.69 113.55 113.18 2ntk h SER 97 Ca 0.14 -0.17 -0.20 0.00 -0.84 0.00 0.00 61.79 60.72 2ntk h SER 97 Cb 0.30 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2ntk h SER 97 CO -0.00 0.74 -0.70 -0.07 -1.14 0.00 0.00 176.83 175.66 2ntk h LEU 98 N 0.79 0.74 -0.51 5.07 3.38 -1.15 -0.84 115.31 122.80 2ntk h LEU 98 Ca 0.19 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2ntk h LEU 98 Cb 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2ntk h LEU 98 CO -0.02 1.23 0.31 0.25 0.09 0.00 0.00 178.44 180.30 2ntk h LEU 99 N 0.45 0.62 0.07 1.67 5.85 -1.10 0.14 115.31 123.01 2ntk h LEU 99 Ca -0.03 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2ntk h LEU 99 Cb 1.30 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2ntk h LEU 99 CO 0.14 0.49 -0.03 0.00 -0.34 0.00 0.00 178.44 178.69 2ntk h ALA 100 N 1.15 -0.09 -0.04 1.25 0.00 -1.25 -3.34 119.26 116.94 2ntk h ALA 100 Ca 0.18 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 2ntk h ALA 100 Cb -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2ntk h ALA 100 CO -0.03 -0.27 -0.79 0.52 0.00 0.00 0.00 179.25 178.67 2ntk h MET 101 N -0.65 0.32 0.00 0.00 2.86 -1.17 -3.50 114.93 112.80 2ntk h MET 101 Ca -0.01 -0.29 0.25 0.00 -2.06 0.00 0.00 59.70 57.58 2ntk h MET 101 Cb 0.54 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.21 2ntk h MET 101 CO 0.02 0.96 -0.33 -3.47 1.06 0.00 0.00 176.91 175.15 2ntk n ASP 102 N -3.78 -5.75 -4.74 1.22 4.64 0.48 -4.83 116.55 103.79 2ntk n ASP 102 Ca -0.04 0.98 -0.31 0.00 -1.38 0.00 0.00 54.79 54.04 2ntk n ASP 102 Cb 0.74 -2.74 0.11 0.00 -1.04 0.00 0.00 41.12 38.19 2ntk n ASP 102 CO 0.00 0.00 0.00 -0.72 -0.82 0.00 0.00 177.20 175.66 2ntk s TYR 103 N -1.68 2.37 0.26 -0.67 -0.85 -1.26 -4.59 117.35 110.93 2ntk s TYR 103 Ca 0.00 1.56 -0.30 0.00 -0.52 0.00 0.00 57.07 57.82 2ntk s TYR 103 Cb 0.00 -3.11 -0.09 0.00 0.38 0.00 0.00 41.96 39.14 2ntk s TYR 103 CO 0.00 -2.06 1.01 -1.21 -1.52 0.00 0.00 175.55 171.77 2ntk s GLU 104 N -4.86 4.77 -1.32 -3.49 2.02 0.99 -4.97 118.70 111.85 2ntk s GLU 104 Ca 0.62 1.62 -0.08 0.00 0.02 0.00 0.00 54.97 57.16 2ntk s GLU 104 Cb -0.18 -3.24 0.13 0.00 0.10 0.00 0.00 34.13 30.94 2ntk s GLU 104 CO 0.57 0.39 2.14 1.63 0.02 0.00 0.00 175.26 180.01 2ntk n LYS 105 N 1.36 4.00 -1.32 1.61 4.76 -1.26 -3.32 118.16 123.99 2ntk n LYS 105 Ca -0.02 -3.41 0.00 0.00 -2.87 0.00 0.00 58.31 52.01 2ntk n LYS 105 Cb 0.46 -2.81 0.00 0.00 -1.84 0.00 0.00 35.03 30.84 2ntk n LYS 105 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2ntk n ASP 106 N 3.03 1.55 0.26 4.39 5.68 -1.26 -4.98 116.55 125.22 2ntk n ASP 106 Ca 0.51 -0.75 0.18 0.00 -0.50 0.00 0.00 54.79 54.23 2ntk n ASP 106 Cb 0.31 0.00 0.82 0.00 -1.14 0.00 0.00 41.12 41.11 2ntk n ASP 106 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2ntk h GLU 107 N 0.00 0.00 -0.16 0.11 5.08 -2.02 -3.00 114.58 114.58 2ntk h GLU 107 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ntk h GLU 107 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2ntk h GLU 107 CO 0.00 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.29 2ntk n LEU 108 N -2.84 2.36 -3.96 1.33 4.77 -1.26 -4.97 117.00 112.42 2ntk n LEU 108 Ca -0.01 -1.87 -0.32 0.00 -0.03 0.00 0.00 56.01 53.79 2ntk n LEU 108 Cb 0.18 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 2ntk n LEU 108 CO 0.21 0.58 0.07 0.59 -1.33 0.00 0.00 177.39 177.52 2ntk n ASN 109 N 0.08 -4.48 -4.68 -1.43 3.02 -1.14 -4.78 115.26 101.86 2ntk n ASN 109 Ca 0.06 -0.82 -0.57 0.00 -0.03 0.00 0.00 54.58 53.22 2ntk n ASN 109 Cb 0.32 -3.59 -0.07 0.00 -0.61 0.00 0.00 39.78 35.82 2ntk n ASN 109 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2ntk n THR 110 N -4.59 0.20 -0.96 3.41 -1.04 -1.21 -4.50 114.28 105.60 2ntk n THR 110 Ca 0.05 -0.04 -0.31 0.00 -2.04 0.00 0.00 64.05 61.71 2ntk n THR 110 Cb 0.52 -1.03 0.13 0.00 -1.82 0.00 0.00 70.33 68.13 2ntk n THR 110 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2ntk s PRO 111 N 2.73 1.59 -0.18 -2.82 0.02 -1.26 -0.01 135.00 135.07 2ntk s PRO 111 Ca 0.96 1.38 -0.06 0.00 0.02 0.00 0.00 61.00 63.30 2ntk s PRO 111 Cb -1.09 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 31.59 2ntk s PRO 111 CO 0.63 -2.18 0.02 1.03 -0.33 0.00 0.00 177.00 176.17 2ntk s ARG 112 N -4.76 3.80 0.25 5.54 0.52 -0.99 -4.71 118.95 118.60 2ntk s ARG 112 Ca 0.64 -0.44 0.11 0.00 -0.52 0.00 0.00 55.73 55.53 2ntk s ARG 112 Cb -0.20 -3.09 -0.05 0.00 0.52 0.00 0.00 34.95 32.13 2ntk s ARG 112 CO 0.57 0.21 -0.19 0.96 0.02 0.00 0.00 175.30 176.87 2ntk s ILE 113 N 0.49 2.55 0.09 1.52 -4.36 -1.26 -1.80 121.20 118.43 2ntk s ILE 113 Ca 0.00 -2.21 -0.26 0.00 -0.26 0.00 0.00 60.65 57.92 2ntk s ILE 113 Cb -0.13 -2.30 0.08 0.00 1.25 0.00 0.00 42.46 41.35 2ntk s ILE 113 CO 0.02 -0.29 0.88 0.00 0.24 0.00 0.00 174.94 175.79 2ntk s ALA 114 N -2.18 -1.70 0.10 2.27 0.00 -0.49 -2.83 121.76 116.93 2ntk s ALA 114 Ca 0.27 0.53 -0.22 0.00 0.00 0.00 0.00 51.96 52.53 2ntk s ALA 114 Cb -0.06 0.58 0.06 0.00 0.00 0.00 0.00 23.12 23.69 2ntk s ALA 114 CO 0.14 -0.86 0.55 0.00 0.00 0.00 0.00 175.76 175.58 2ntk s ALA 115 N -3.29 -1.41 -0.10 0.00 0.00 0.09 -0.08 121.76 116.97 2ntk s ALA 115 Ca 0.08 0.50 -0.15 0.00 0.00 0.00 0.00 51.96 52.38 2ntk s ALA 115 Cb -0.01 0.63 0.04 0.00 0.00 0.00 0.00 23.12 23.77 2ntk s ALA 115 CO -0.04 -0.63 0.38 0.00 0.00 0.00 0.00 175.76 175.47 2ntk s ALA 116 N -3.15 -0.96 -0.12 0.00 0.00 -0.67 -0.88 121.76 115.99 2ntk s ALA 116 Ca -0.02 0.88 -0.09 0.00 0.00 0.00 0.00 51.96 52.73 2ntk s ALA 116 Cb -0.00 -0.39 0.04 0.00 0.00 0.00 0.00 23.12 22.77 2ntk s ALA 116 CO -0.07 -0.22 0.29 -1.50 0.00 0.00 0.00 175.76 174.26 2ntk s ILE 117 N -0.35 -0.01 0.00 0.00 2.07 -0.08 -1.47 121.20 121.36 2ntk s ILE 117 Ca -0.05 0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 2ntk s ILE 117 Cb -0.03 -0.43 0.00 0.00 0.13 0.00 0.00 42.46 42.13 2ntk s ILE 117 CO 0.02 0.02 0.00 -0.46 -1.91 0.00 0.00 174.94 172.61 2ntk n ASN 118 N 3.39 1.44 0.27 4.50 0.23 -0.45 -0.95 115.26 123.68 2ntk n ASN 118 Ca -0.17 -0.56 0.12 0.00 -0.53 0.00 0.00 54.58 53.44 2ntk n ASN 118 Cb 0.56 0.00 0.74 0.00 -2.08 0.00 0.00 39.78 39.01 2ntk n ASN 118 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2ntk h GLY 119 N 0.00 0.00 0.00 4.83 0.00 -2.03 -3.32 103.07 102.55 2ntk h GLY 119 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2ntk h GLY 119 CO 0.00 0.00 -1.32 -1.14 0.00 0.00 0.00 176.54 174.08 2ntk n SER 120 N -3.80 3.51 -3.93 0.19 3.41 -1.26 -5.09 113.62 106.65 2ntk n SER 120 Ca -0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.50 2ntk n SER 120 Cb 0.20 1.17 -0.04 0.00 -0.26 0.00 0.00 64.21 65.27 2ntk n SER 120 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2ntk s GLU 121 N -2.39 1.56 -0.02 4.33 -1.05 -1.25 -5.15 118.70 114.73 2ntk s GLU 121 Ca -0.02 -1.13 -0.12 0.00 -0.15 0.00 0.00 54.97 53.54 2ntk s GLU 121 Cb 0.04 0.51 0.02 0.00 -0.44 0.00 0.00 34.13 34.25 2ntk s GLU 121 CO 0.27 -0.67 0.26 0.00 0.95 0.00 0.00 175.26 176.07 2ntk s ALA 122 N -3.97 -0.65 0.05 -0.84 0.00 -1.26 -1.34 121.76 113.75 2ntk s ALA 122 Ca 0.18 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.42 2ntk s ALA 122 Cb -0.02 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 2ntk s ALA 122 CO 0.06 -0.23 -0.07 -0.06 0.00 0.00 0.00 175.76 175.47 2ntk s PHE 123 N -1.14 0.68 0.02 0.00 0.40 -0.54 -0.81 117.98 116.59 2ntk s PHE 123 Ca -0.12 -0.62 0.03 0.00 -0.60 0.00 0.00 56.93 55.62 2ntk s PHE 123 Cb -0.05 -0.41 -0.01 0.00 0.51 0.00 0.00 43.02 43.05 2ntk s PHE 123 CO 0.03 -0.12 -0.10 -1.50 0.70 0.00 0.00 175.22 174.23 2ntk s ILE 124 N -1.99 0.74 0.12 0.64 2.07 -0.34 -1.67 121.20 120.78 2ntk s ILE 124 Ca -0.05 -0.70 -0.09 0.00 -1.41 0.00 0.00 60.65 58.40 2ntk s ILE 124 Cb -0.06 -0.68 -0.01 0.00 0.13 0.00 0.00 42.46 41.84 2ntk s ILE 124 CO -0.01 -0.01 0.23 -0.83 -1.91 0.00 0.00 174.94 172.41 2ntk s GLY 125 N -0.79 0.29 -0.10 1.50 0.00 0.89 -0.62 107.32 108.48 2ntk s GLY 125 Ca -0.00 -0.76 -0.21 0.00 0.00 0.00 0.00 44.72 43.75 2ntk s GLY 125 CO 0.00 -0.83 0.50 -1.50 0.00 0.00 0.00 173.10 171.27 2ntk s ILE 126 N -3.91 0.02 -0.06 0.90 2.07 0.20 -1.39 121.20 119.02 2ntk s ILE 126 Ca 0.11 -0.15 0.01 0.00 -1.41 0.00 0.00 60.65 59.21 2ntk s ILE 126 Cb 0.04 -0.77 0.02 0.00 0.13 0.00 0.00 42.46 41.89 2ntk s ILE 126 CO -0.06 -0.08 -0.07 0.54 -1.91 0.00 0.00 174.94 173.36 2ntk s VAL 127 N -0.62 0.78 0.22 4.00 0.11 -0.74 -0.84 120.40 123.31 2ntk s VAL 127 Ca -0.07 -0.24 0.02 0.00 -2.93 0.00 0.00 61.98 58.75 2ntk s VAL 127 Cb -0.03 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 34.04 2ntk s VAL 127 CO 0.04 0.29 0.06 0.35 -3.33 0.00 0.00 175.10 172.51 2ntk n THR 128 N 4.14 0.00 0.58 5.04 -2.24 0.17 -2.35 114.28 119.63 2ntk n THR 128 Ca -0.22 -1.25 0.10 0.00 -2.27 0.00 0.00 64.05 60.42 2ntk n THR 128 Cb 0.51 0.40 0.43 0.00 -2.10 0.00 0.00 70.33 69.57 2ntk n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ntk n ALA 129 N -2.02 1.86 0.69 6.98 0.00 -1.26 -2.80 120.51 123.96 2ntk n ALA 129 Ca -0.09 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.41 2ntk n ALA 129 Cb 0.32 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.45 2ntk n ALA 129 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ntk n ASP 130 N -1.76 1.84 0.00 0.00 8.00 -1.26 -5.09 116.55 118.27 2ntk n ASP 130 Ca 0.04 -1.42 0.00 0.00 0.71 0.00 0.00 54.79 54.12 2ntk n ASP 130 Cb 0.24 0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 2ntk n ASP 130 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ntk n GLY 131 N 1.07 -1.30 2.85 0.44 0.00 -1.12 -5.13 105.19 102.00 2ntk n GLY 131 Ca 0.07 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 2ntk n GLY 131 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ntk s LEU 132 N 0.00 1.49 -0.08 0.99 2.96 -1.26 -0.66 118.68 122.11 2ntk s LEU 132 Ca 0.00 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.85 2ntk s LEU 132 Cb 0.00 -0.16 0.04 0.00 0.50 0.00 0.00 46.19 46.57 2ntk s LEU 132 CO 0.00 -0.05 0.18 -0.32 -1.32 0.00 0.00 176.35 174.84 2ntk s MET 133 N 0.60 0.11 -0.08 1.98 -2.45 -0.02 -5.02 119.30 114.44 2ntk s MET 133 Ca -0.06 0.46 -0.00 0.00 -1.25 0.00 0.00 55.69 54.85 2ntk s MET 133 Cb -0.09 -0.17 0.02 0.00 1.25 0.00 0.00 34.83 35.85 2ntk s MET 133 CO -0.01 -0.20 -0.04 0.08 1.05 0.00 0.00 175.02 175.90 2ntk s VAL 134 N 1.46 0.67 0.03 10.11 1.01 -1.26 -0.63 120.40 131.79 2ntk s VAL 134 Ca -0.07 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.81 2ntk s VAL 134 Cb -0.11 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 2ntk s VAL 134 CO -0.07 0.29 -0.04 -0.94 0.00 0.00 0.00 175.10 174.34 2ntk s SER 135 N 1.50 0.43 0.26 3.32 1.04 0.21 -4.96 113.70 115.49 2ntk s SER 135 Ca -0.01 -0.56 -0.30 0.00 0.48 0.00 0.00 55.95 55.56 2ntk s SER 135 Cb -0.13 0.09 -0.10 0.00 0.10 0.00 0.00 66.02 65.98 2ntk s SER 135 CO -0.04 -0.30 1.43 -0.60 0.98 0.00 0.00 173.24 174.71 2ntk s ARG 136 N -1.74 4.27 -0.01 4.02 3.52 -1.26 -1.19 118.95 126.55 2ntk s ARG 136 Ca -0.12 2.31 -0.30 0.00 -0.13 0.00 0.00 55.73 57.49 2ntk s ARG 136 Cb -0.08 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.17 2ntk s ARG 136 CO -0.01 -0.41 1.07 0.08 -0.81 0.00 0.00 175.30 175.21 2ntk s VAL 137 N -0.13 4.57 0.12 7.11 1.01 0.01 -4.86 120.40 128.22 2ntk s VAL 137 Ca 0.58 1.85 -0.35 0.00 0.00 0.00 0.00 61.98 64.06 2ntk s VAL 137 Cb -0.42 -4.19 -0.15 0.00 0.00 0.00 0.00 36.38 31.63 2ntk s VAL 137 CO 0.45 0.10 1.52 -2.65 0.00 0.00 0.00 175.10 174.51 2ntk n PRO 138 N 4.29 1.81 0.21 2.72 -0.02 -1.26 -4.74 135.00 138.02 2ntk n PRO 138 Ca 0.08 0.65 0.05 0.00 -2.02 0.00 0.00 63.50 62.26 2ntk n PRO 138 Cb 0.49 -2.38 0.47 0.00 -0.02 0.00 0.00 33.50 32.06 2ntk n PRO 138 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2ntk h GLU 139 N 5.63 0.00 0.00 -0.52 4.81 -1.98 -2.83 114.58 119.69 2ntk h GLU 139 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2ntk h GLU 139 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2ntk h GLU 139 CO 0.86 0.24 0.00 -0.85 -0.73 0.00 0.00 179.01 178.52 2ntk n GLU 140 N -4.19 0.09 -3.60 1.92 0.00 -1.26 -4.87 120.64 108.72 2ntk n GLU 140 Ca -0.02 0.08 -0.15 0.00 0.00 0.00 0.00 57.16 57.07 2ntk n GLU 140 Cb 0.30 -1.60 -0.07 0.00 0.00 0.00 0.00 31.44 30.06 2ntk n GLU 140 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 2ntk s THR 141 N -3.04 0.00 0.69 3.84 -1.32 -1.07 -5.09 115.64 109.65 2ntk s THR 141 Ca 0.13 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.48 2ntk s THR 141 Cb 0.17 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.17 2ntk s THR 141 CO 0.55 0.00 1.09 -2.84 -2.21 0.00 0.00 174.62 171.21 2ntk s PRO 142 N 0.01 2.73 0.15 7.08 0.02 -1.25 -4.31 135.00 139.42 2ntk s PRO 142 Ca -0.03 1.24 -0.00 0.00 0.02 0.00 0.00 61.00 62.23 2ntk s PRO 142 Cb -0.04 -1.95 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 2ntk s PRO 142 CO 0.03 -1.28 0.05 0.14 -0.33 0.00 0.00 177.00 175.61 2ntk s VAL 143 N -2.61 0.25 0.10 3.83 -7.23 -0.61 -1.44 120.40 112.69 2ntk s VAL 143 Ca 0.64 -1.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.84 2ntk s VAL 143 Cb -0.18 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 2ntk s VAL 143 CO 0.47 -0.40 0.08 -0.72 -0.31 0.00 0.00 175.10 174.21 2ntk s TYR 144 N -3.95 0.61 0.05 2.82 -0.85 -0.36 -1.16 117.35 114.51 2ntk s TYR 144 Ca 0.26 -1.04 -0.19 0.00 -0.52 0.00 0.00 57.07 55.58 2ntk s TYR 144 Cb 0.07 -0.34 0.04 0.00 0.38 0.00 0.00 41.96 42.11 2ntk s TYR 144 CO 0.04 -0.51 0.43 -1.50 -1.52 0.00 0.00 175.55 172.49 2ntk s ILE 145 N -3.98 0.05 0.24 -3.49 2.07 -0.49 -1.26 121.20 114.35 2ntk s ILE 145 Ca 0.16 -0.42 0.00 0.00 -1.41 0.00 0.00 60.65 58.98 2ntk s ILE 145 Cb 0.07 -0.98 -0.05 0.00 0.13 0.00 0.00 42.46 41.63 2ntk s ILE 145 CO -0.04 -0.23 0.11 -0.94 -1.91 0.00 0.00 174.94 171.93 2ntk s SER 146 N -2.08 0.81 0.26 4.50 1.04 -0.33 -1.53 113.70 116.37 2ntk s SER 146 Ca -0.04 -1.39 0.14 0.00 0.48 0.00 0.00 55.95 55.13 2ntk s SER 146 Cb -0.01 0.25 0.08 0.00 0.10 0.00 0.00 66.02 66.45 2ntk s SER 146 CO -0.03 -0.78 1.45 0.71 0.98 0.00 0.00 173.24 175.57 2ntk h THR 147 N 2.47 1.02 -4.27 2.02 1.35 -1.20 -3.35 112.91 110.95 2ntk h THR 147 Ca -0.37 -2.36 -0.56 0.00 -0.55 0.00 0.00 66.41 62.57 2ntk h THR 147 Cb 1.25 2.45 -0.28 0.00 -1.73 0.00 0.00 68.15 69.84 2ntk h THR 147 CO 0.58 0.57 -0.84 -0.31 -0.25 0.00 0.00 175.52 175.26 2ntk s TYR 148 N -2.99 1.67 0.00 4.73 4.12 -0.68 -4.45 117.35 119.75 2ntk s TYR 148 Ca 0.03 -0.34 0.00 0.00 0.02 0.00 0.00 57.07 56.78 2ntk s TYR 148 Cb 0.08 -1.04 0.00 0.00 -1.52 0.00 0.00 41.96 39.48 2ntk s TYR 148 CO 0.75 0.02 0.00 0.39 0.02 0.00 0.00 175.55 176.73 2ntk n GLU 149 N 2.32 0.00 -1.97 -0.62 -0.58 -1.26 -4.40 120.64 114.12 2ntk n GLU 149 Ca -0.16 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.18 2ntk n GLU 149 Cb 0.54 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.40 2ntk n GLU 149 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2ntk n GLN 150 N 0.00 4.38 -0.19 3.49 -0.06 -1.26 -4.70 117.38 119.03 2ntk n GLN 150 Ca 0.00 -3.34 -0.03 0.00 -2.00 0.00 0.00 57.00 51.62 2ntk n GLN 150 Cb 0.00 -2.69 0.03 0.00 -4.06 0.00 0.00 30.24 23.52 2ntk n GLN 150 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2ntk n THR 151 N 2.13 1.26 -3.81 1.69 -2.24 -1.26 -1.19 114.28 110.87 2ntk n THR 151 Ca 0.61 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.97 2ntk n THR 151 Cb 0.26 -0.87 -0.11 0.00 -2.10 0.00 0.00 70.33 67.51 2ntk n THR 151 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2ntk s GLU 152 N -0.61 0.33 0.35 -0.78 2.12 -1.26 -4.97 118.70 113.87 2ntk s GLU 152 Ca 0.09 0.16 -0.28 0.00 0.36 0.00 0.00 54.97 55.30 2ntk s GLU 152 Cb 0.08 0.15 -0.12 0.00 0.26 0.00 0.00 34.13 34.50 2ntk s GLU 152 CO 0.02 -0.06 1.35 -2.30 -0.54 0.00 0.00 175.26 173.73 2ntk n PRO 153 N 2.60 2.27 -4.24 4.30 -0.02 -1.26 -4.70 135.00 133.95 2ntk n PRO 153 Ca -0.15 0.80 -0.18 0.00 -2.02 0.00 0.00 63.50 61.95 2ntk n PRO 153 Cb 0.58 -2.42 -0.15 0.00 -0.02 0.00 0.00 33.50 31.49 2ntk n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ntk s ALA 154 N -1.04 0.61 0.48 3.55 0.00 -0.39 -4.94 121.76 120.03 2ntk s ALA 154 Ca 0.55 -0.23 -0.23 0.00 0.00 0.00 0.00 51.96 52.05 2ntk s ALA 154 Cb -0.55 -0.23 -0.07 0.00 0.00 0.00 0.00 23.12 22.28 2ntk s ALA 154 CO 0.62 0.10 1.29 0.00 0.00 0.00 0.00 175.76 177.77 2ntk s ALA 155 N 0.15 2.99 -0.15 0.00 0.00 -1.26 -1.23 121.76 122.26 2ntk s ALA 155 Ca -0.02 1.20 -0.10 0.00 0.00 0.00 0.00 51.96 53.04 2ntk s ALA 155 Cb -0.06 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.61 2ntk s ALA 155 CO -0.00 -1.02 0.37 -0.08 0.00 0.00 0.00 175.76 175.03 2ntk s THR 156 N -1.36 -0.02 -1.08 0.00 -1.32 -0.52 -4.86 115.64 106.48 2ntk s THR 156 Ca 0.65 0.07 -0.19 0.00 -1.21 0.00 0.00 61.69 61.01 2ntk s THR 156 Cb -0.36 -0.55 0.10 0.00 -1.51 0.00 0.00 72.50 70.18 2ntk s THR 156 CO 0.44 0.03 1.41 -0.70 -2.21 0.00 0.00 174.62 173.59 2ntk s GLU 157 N 0.96 3.76 -0.53 7.08 2.12 -1.26 -3.91 118.70 126.91 2ntk s GLU 157 Ca -0.06 -1.73 -0.25 0.00 0.36 0.00 0.00 54.97 53.29 2ntk s GLU 157 Cb -0.07 -5.21 0.04 0.00 0.26 0.00 0.00 34.13 29.15 2ntk s GLU 157 CO -0.07 -2.01 0.95 0.12 -0.54 0.00 0.00 175.26 173.70 2ntk s PHE 158 N 3.57 2.81 -0.14 5.30 5.36 -1.26 -5.02 117.98 128.60 2ntk s PHE 158 Ca 0.43 0.10 -0.14 0.00 -0.96 0.00 0.00 56.93 56.37 2ntk s PHE 158 Cb -0.01 -4.08 -0.05 0.00 -0.34 0.00 0.00 43.02 38.54 2ntk s PHE 158 CO -0.05 -1.31 0.30 -1.59 -1.46 0.00 0.00 175.22 171.11 2ntk s LYS 159 N 3.97 4.19 0.00 10.12 -2.85 -1.26 -4.85 119.74 129.06 2ntk s LYS 159 Ca 0.33 0.12 0.00 0.00 -1.00 0.00 0.00 55.97 55.42 2ntk s LYS 159 Cb -0.12 -3.40 0.00 0.00 -2.06 0.00 0.00 37.83 32.26 2ntk s LYS 159 CO 0.21 0.30 0.00 0.00 0.10 0.00 0.00 175.35 175.96 2ntk n ALA 160 N 3.35 0.00 -0.22 0.59 0.00 -1.26 -4.72 120.51 118.25 2ntk n ALA 160 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2ntk n ALA 160 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2ntk n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ntk n GLY 161 N -0.03 1.14 3.63 0.00 0.00 -1.26 -4.63 105.19 104.03 2ntk n GLY 161 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2ntk n GLY 161 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ntk s SER 162 N -0.62 -0.42 0.38 1.61 1.04 -1.26 -4.96 113.70 109.47 2ntk s SER 162 Ca 0.00 -0.30 0.11 0.00 0.48 0.00 0.00 55.95 56.24 2ntk s SER 162 Cb 0.00 0.66 0.75 0.00 0.10 0.00 0.00 66.02 67.53 2ntk s SER 162 CO 0.00 -1.15 1.87 1.55 0.98 0.00 0.00 173.24 176.49 2ntk h PRO 163 N 2.01 0.14 -0.18 4.02 0.13 -1.88 -1.57 132.00 134.67 2ntk h PRO 163 Ca -0.27 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 2ntk h PRO 163 Cb 1.28 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2ntk h PRO 163 CO 0.31 0.38 0.09 0.93 -0.23 0.00 0.00 178.00 179.48 2ntk h GLU 164 N 0.13 0.26 -0.56 0.86 3.07 -1.90 -1.02 114.58 115.42 2ntk h GLU 164 Ca 0.02 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.76 2ntk h GLU 164 Cb 0.51 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 2ntk h GLU 164 CO 0.04 0.28 0.00 0.93 -1.40 0.00 0.00 179.01 178.86 2ntk h GLU 165 N 0.17 0.96 -0.42 2.33 5.08 -1.90 -2.12 114.58 118.68 2ntk h GLU 165 Ca 0.06 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 2ntk h GLU 165 Cb 0.11 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2ntk h GLU 165 CO -0.01 0.95 0.12 0.00 -1.00 0.00 0.00 179.01 179.06 2ntk h ALA 166 N 1.11 0.55 -0.69 3.43 0.00 -1.12 -0.42 119.26 122.12 2ntk h ALA 166 Ca 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2ntk h ALA 166 Cb 0.52 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2ntk h ALA 166 CO 0.03 0.21 0.27 0.00 0.00 0.00 0.00 179.25 179.76 2ntk h ALA 167 N 0.97 0.89 -0.41 0.00 0.00 -1.09 -2.50 119.26 117.11 2ntk h ALA 167 Ca 0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2ntk h ALA 167 Cb 0.29 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2ntk h ALA 167 CO -0.00 0.52 0.09 0.93 0.00 0.00 0.00 179.25 180.78 2ntk h GLU 168 N 0.98 0.67 -0.07 0.00 4.39 -1.18 -2.54 114.58 116.83 2ntk h GLU 168 Ca 0.23 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2ntk h GLU 168 Cb 0.22 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2ntk h GLU 168 CO -0.02 0.70 0.05 0.35 -1.16 0.00 0.00 179.01 178.93 2ntk h PHE 169 N 0.54 0.09 0.00 4.33 3.57 -0.91 0.21 116.94 124.77 2ntk h PHE 169 Ca 0.13 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2ntk h PHE 169 Cb 0.34 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 2ntk h PHE 169 CO 0.02 0.06 -0.03 0.97 -2.23 0.00 0.00 178.31 177.10 2ntk h ILE 170 N 0.10 0.12 0.01 1.41 2.10 -1.45 0.56 117.51 120.36 2ntk h ILE 170 Ca 0.03 -0.46 -0.08 0.00 1.08 0.00 0.00 64.86 65.42 2ntk h ILE 170 Cb -0.01 1.40 -0.01 0.00 -1.09 0.00 0.00 36.82 37.11 2ntk h ILE 170 CO -0.01 0.03 -0.44 0.25 -1.08 0.00 0.00 178.15 176.91 2ntk h LEU 171 N 0.00 0.05 -0.25 2.19 5.85 -0.92 -3.44 115.31 118.79 2ntk h LEU 171 Ca -0.00 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 57.85 2ntk h LEU 171 Cb 0.40 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2ntk h LEU 171 CO 0.00 1.18 0.00 0.29 -0.34 0.00 0.00 178.44 179.57 2ntk n LYS 172 N -4.50 0.33 -2.59 1.25 5.02 0.67 -4.67 118.16 113.67 2ntk n LYS 172 Ca -0.17 -0.12 -0.24 0.00 -2.02 0.00 0.00 58.31 55.76 2ntk n LYS 172 Cb 0.57 -0.54 0.03 0.00 -0.02 0.00 0.00 35.03 35.08 2ntk n LYS 172 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2ntk s GLY 173 N -0.08 1.65 0.00 0.72 0.00 0.20 -4.13 107.32 105.67 2ntk s GLY 173 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.75 2ntk s GLY 173 CO 0.00 -0.70 0.00 0.61 0.00 0.00 0.00 173.10 173.01 2ntk n GLY 174 N -2.43 2.11 0.16 0.20 0.00 -1.26 -1.05 105.19 102.91 2ntk n GLY 174 Ca 0.05 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2ntk n GLY 174 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ntk h GLU 175 N 0.00 0.00 0.00 1.61 9.09 -1.93 -2.82 114.58 120.53 2ntk h GLU 175 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2ntk h GLU 175 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2ntk h GLU 175 CO 0.00 0.00 0.00 0.74 0.05 0.00 0.00 179.01 179.80 2ntk h PHE 176 N 0.00 0.00 0.00 2.06 -1.00 -1.37 -2.90 116.94 113.73 2ntk h PHE 176 Ca 0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 2ntk h PHE 176 Cb 0.43 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.99 2ntk h PHE 176 CO 0.00 0.00 -0.02 0.00 -1.61 0.00 0.00 178.31 176.68 2ntk h ALA 177 N 2.07 1.89 0.00 2.45 0.00 -1.21 -2.10 119.26 122.36 2ntk h ALA 177 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ntk h ALA 177 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2ntk h ALA 177 CO 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 179.25 179.23 2ntk h ALA 178 N 1.98 0.97 -2.26 0.00 0.00 -1.74 -3.44 119.26 114.77 2ntk h ALA 178 Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 2ntk h ALA 178 Cb 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2ntk h ALA 178 CO 0.00 0.00 0.55 -0.06 0.00 0.00 0.00 179.25 179.74 2ntk s PHE 179 N -3.14 3.40 0.76 0.00 0.08 -0.79 -4.88 117.98 113.42 2ntk s PHE 179 Ca 0.09 1.36 -0.11 0.00 0.12 0.00 0.00 56.93 58.39 2ntk s PHE 179 Cb 0.10 -3.12 0.05 0.00 -0.57 0.00 0.00 43.02 39.48 2ntk s PHE 179 CO 0.63 -0.33 1.10 0.95 -0.10 0.00 0.00 175.22 177.47 2ntk s THR 180 N 2.51 3.19 -1.18 0.64 -4.23 -0.74 -4.51 115.64 111.32 2ntk s THR 180 Ca 0.41 0.39 -0.07 0.00 -1.18 0.00 0.00 61.69 61.24 2ntk s THR 180 Cb -0.16 -3.23 0.01 0.00 1.34 0.00 0.00 72.50 70.46 2ntk s THR 180 CO 0.11 -0.51 1.03 1.41 -0.54 0.00 0.00 174.62 176.12 2ntk n HIS 181 N -3.28 -2.49 -2.00 3.99 8.25 -1.26 -4.66 115.22 113.77 2ntk n HIS 181 Ca 0.07 0.89 -0.39 0.00 -0.26 0.00 0.00 57.72 58.02 2ntk n HIS 181 Cb 0.57 -4.54 0.00 0.00 1.12 0.00 0.00 29.99 27.14 2ntk n HIS 181 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2ntk s PRO 182 N -6.09 3.86 0.11 -0.41 0.02 -1.26 -1.52 135.00 129.71 2ntk s PRO 182 Ca 0.48 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.70 2ntk s PRO 182 Cb -0.21 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 31.61 2ntk s PRO 182 CO 0.64 -0.60 0.00 0.28 -0.33 0.00 0.00 177.00 176.99 2ntk n VAL 183 N -0.02 0.87 -3.66 3.83 0.31 0.15 -4.86 118.33 114.95 2ntk n VAL 183 Ca 0.04 0.29 -0.11 0.00 -0.01 0.00 0.00 64.34 64.55 2ntk n VAL 183 Cb 0.43 -1.32 -0.05 0.00 -0.91 0.00 0.00 33.84 31.99 2ntk n VAL 183 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2ntk s THR 184 N -1.85 0.07 0.08 2.52 -1.32 -1.16 -3.99 115.64 109.99 2ntk s THR 184 Ca 0.00 -0.58 -0.04 0.00 -1.21 0.00 0.00 61.69 59.87 2ntk s THR 184 Cb 0.00 -1.10 -0.03 0.00 -1.51 0.00 0.00 72.50 69.86 2ntk s THR 184 CO 0.00 -0.32 0.07 0.00 -2.21 0.00 0.00 174.62 172.16 2ntk s ALA 185 N -3.33 0.33 0.16 11.08 0.00 -0.50 -0.06 121.76 129.44 2ntk s ALA 185 Ca 0.00 -1.07 -0.12 0.00 0.00 0.00 0.00 51.96 50.77 2ntk s ALA 185 Cb 0.01 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.62 2ntk s ALA 185 CO -0.09 -0.45 0.35 0.00 0.00 0.00 0.00 175.76 175.58 2ntk s ALA 186 N -3.93 -0.40 0.09 0.00 0.00 0.08 -0.97 121.76 116.63 2ntk s ALA 186 Ca 0.10 -0.57 -0.25 0.00 0.00 0.00 0.00 51.96 51.24 2ntk s ALA 186 Cb 0.07 0.79 0.08 0.00 0.00 0.00 0.00 23.12 24.06 2ntk s ALA 186 CO -0.07 -0.67 0.70 0.00 0.00 0.00 0.00 175.76 175.72 2ntk s ALA 187 N -3.91 -1.69 -0.04 0.00 0.00 -0.37 -0.23 121.76 115.52 2ntk s ALA 187 Ca 0.12 0.74 0.04 0.00 0.00 0.00 0.00 51.96 52.85 2ntk s ALA 187 Cb 0.02 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.79 2ntk s ALA 187 CO -0.04 -0.71 -0.15 0.00 0.00 0.00 0.00 175.76 174.87 2ntk s ALA 188 N -3.32 1.35 0.00 0.00 0.00 -0.47 -1.81 121.76 117.52 2ntk s ALA 188 Ca 0.01 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 51.43 2ntk s ALA 188 Cb -0.01 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 2ntk s ALA 188 CO -0.10 0.22 -0.10 0.12 0.00 0.00 0.00 175.76 175.91 2ntk s PHE 189 N 0.17 0.87 -0.24 0.00 5.36 0.05 -2.04 117.98 122.14 2ntk s PHE 189 Ca -0.05 -0.21 -0.01 0.00 -0.96 0.00 0.00 56.93 55.70 2ntk s PHE 189 Cb -0.12 -0.55 0.07 0.00 -0.34 0.00 0.00 43.02 42.09 2ntk s PHE 189 CO 0.02 -0.01 0.03 1.21 -1.46 0.00 0.00 175.22 175.01 2ntk s ASN 190 N -0.45 3.54 0.00 6.13 3.84 0.03 -1.02 114.94 127.01 2ntk s ASN 190 Ca 0.02 -1.20 0.14 0.00 0.21 0.00 0.00 52.86 52.04 2ntk s ASN 190 Cb -0.05 -0.85 0.56 0.00 -0.55 0.00 0.00 41.25 40.36 2ntk s ASN 190 CO -0.00 -0.32 1.40 -0.90 -2.79 0.00 0.00 177.10 174.49 2ntk n ASP 191 N 4.87 1.21 0.00 -4.21 5.68 -1.26 -1.57 116.55 121.28 2ntk n ASP 191 Ca -0.07 -1.80 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 2ntk n ASP 191 Cb 0.45 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 2ntk n ASP 191 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ntk n GLY 192 N 0.96 2.10 1.03 6.12 0.00 -1.26 -4.88 105.19 109.25 2ntk n GLY 192 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 2ntk n GLY 192 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ntk n GLU 193 N -0.27 3.19 0.00 1.61 1.02 -1.26 -5.06 120.64 119.86 2ntk n GLU 193 Ca 0.00 -2.59 0.00 0.00 -0.02 0.00 0.00 57.16 54.55 2ntk n GLU 193 Cb 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 2ntk n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ntk n GLY 194 N 0.35 3.36 3.69 0.62 0.00 -1.26 -5.05 105.19 106.90 2ntk n GLY 194 Ca 0.19 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 2ntk n GLY 194 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ntk s TRP 195 N -2.77 3.52 0.05 1.61 0.52 -1.26 -4.25 118.94 116.37 2ntk s TRP 195 Ca 0.00 1.59 0.08 0.00 0.02 0.00 0.00 56.10 57.79 2ntk s TRP 195 Cb 0.00 -3.19 -0.03 0.00 -1.15 0.00 0.00 33.47 29.10 2ntk s TRP 195 CO 0.00 -0.27 -0.23 -0.80 0.02 0.00 0.00 176.95 175.67 2ntk s ASN 196 N 1.10 3.46 0.21 2.95 0.01 -0.19 -4.92 114.94 117.56 2ntk s ASN 196 Ca 0.50 -0.52 0.08 0.00 -0.71 0.00 0.00 52.86 52.21 2ntk s ASN 196 Cb -0.20 -0.43 -0.04 0.00 0.41 0.00 0.00 41.25 40.99 2ntk s ASN 196 CO 0.21 0.26 0.00 -0.76 -1.51 0.00 0.00 177.10 175.30 2ntk s LEU 197 N -1.36 3.27 0.08 0.60 1.43 -1.26 -0.77 118.68 120.67 2ntk s LEU 197 Ca 0.13 -0.49 -0.26 0.00 -1.03 0.00 0.00 54.13 52.49 2ntk s LEU 197 Cb -0.10 -1.88 0.08 0.00 0.03 0.00 0.00 46.19 44.32 2ntk s LEU 197 CO 0.04 0.05 0.69 0.00 0.23 0.00 0.00 176.35 177.36 2ntk s ALA 198 N -1.95 -1.69 0.12 4.21 0.00 -0.75 -4.86 121.76 116.85 2ntk s ALA 198 Ca 0.29 0.78 0.04 0.00 0.00 0.00 0.00 51.96 53.07 2ntk s ALA 198 Cb -0.08 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 2ntk s ALA 198 CO 0.19 -0.67 -0.10 0.95 0.00 0.00 0.00 175.76 176.13 2ntk s THR 199 N -3.10 1.02 -0.02 0.00 -4.23 -1.26 -1.24 115.64 106.80 2ntk s THR 199 Ca -0.00 -1.88 -0.04 0.00 -1.18 0.00 0.00 61.69 58.59 2ntk s THR 199 Cb -0.01 -1.64 0.00 0.00 1.34 0.00 0.00 72.50 72.20 2ntk s THR 199 CO -0.08 -0.69 0.09 -0.13 -0.54 0.00 0.00 174.62 173.27 2ntk s ARG 200 N -3.39 0.21 0.33 3.99 1.81 -0.14 -4.96 118.95 116.81 2ntk s ARG 200 Ca 0.12 -0.06 0.09 0.00 -1.72 0.00 0.00 55.73 54.16 2ntk s ARG 200 Cb 0.01 0.09 -0.05 0.00 -0.45 0.00 0.00 34.95 34.55 2ntk s ARG 200 CO -0.00 -0.04 -0.02 -1.21 -0.68 0.00 0.00 175.30 173.35 2ntk s GLU 201 N -0.43 2.03 0.00 3.54 0.41 -1.26 -1.40 118.70 121.59 2ntk s GLU 201 Ca -0.05 -1.75 0.10 0.00 -0.41 0.00 0.00 54.97 52.86 2ntk s GLU 201 Cb -0.03 -1.90 0.61 0.00 -1.78 0.00 0.00 34.13 31.03 2ntk s GLU 201 CO 0.00 0.16 1.05 -1.33 -0.49 0.00 0.00 175.26 174.66