#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkp h ASN 3 N 0.00 0.23 -0.70 1.69 -1.24 -2.05 -2.32 115.58 111.18 1xkp h ASN 3 Ca 0.00 0.13 -0.05 0.00 0.71 0.00 0.00 56.30 57.09 1xkp h ASN 3 Cb 0.00 0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.15 1xkp h ASN 3 CO 0.00 0.04 0.25 -0.07 -1.29 0.00 0.00 177.43 176.36 1xkp h LEU 4 N 0.39 1.00 -2.40 0.34 3.38 -1.98 0.84 115.31 116.88 1xkp h LEU 4 Ca 0.45 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1xkp h LEU 4 Cb 0.76 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1xkp h LEU 4 CO -0.47 0.92 0.00 0.18 0.09 0.00 0.00 178.44 179.16 1xkp n LEU 5 N -4.33 3.12 0.00 1.67 4.77 -0.87 -0.63 117.00 120.72 1xkp n LEU 5 Ca 0.05 -1.49 0.00 0.00 -0.03 0.00 0.00 56.01 54.55 1xkp n LEU 5 Cb 0.20 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1xkp n LEU 5 CO 0.41 0.55 0.00 0.59 -1.33 0.00 0.00 177.39 177.61 1xkp n ASN 7 N 0.93 0.00 -0.00 -1.43 3.02 0.29 -0.95 115.26 117.11 1xkp n ASN 7 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 1xkp n ASN 7 Cb 0.41 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.50 1xkp n ASN 7 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1xkp h LEU 8 N 0.00 0.07 -0.46 3.41 5.85 -1.12 -0.82 115.31 122.24 1xkp h LEU 8 Ca 0.00 -0.24 0.09 0.00 0.84 0.00 0.00 57.88 58.57 1xkp h LEU 8 Cb 0.00 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 40.92 1xkp h LEU 8 CO 0.00 0.29 -0.13 0.00 -0.34 0.00 0.00 178.44 178.26 1xkp h ALA 9 N 0.78 0.27 -0.51 1.25 0.00 -1.30 -2.01 119.26 117.73 1xkp h ALA 9 Ca 0.01 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1xkp h ALA 9 Cb 0.25 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1xkp h ALA 9 CO 0.00 -0.47 0.21 0.00 0.00 0.00 0.00 179.25 179.00 1xkp h ALA 10 N 1.41 1.41 0.00 0.00 0.00 -1.65 -0.16 119.26 120.27 1xkp h ALA 10 Ca 0.22 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1xkp h ALA 10 Cb 0.36 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xkp h ALA 10 CO -0.49 0.45 -0.13 0.66 0.00 0.00 0.00 179.25 179.74 1xkp h SER 11 N 0.73 0.00 -0.03 0.00 4.64 -0.45 -1.80 113.55 116.65 1xkp h SER 11 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1xkp h SER 11 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1xkp h SER 11 CO -0.02 0.13 -0.01 0.18 -0.87 0.00 0.00 176.83 176.25 1xkp n LEU 12 N -3.35 2.62 -0.04 5.97 4.77 -0.80 -4.96 117.00 121.21 1xkp n LEU 12 Ca -0.00 -0.87 -0.01 0.00 -0.03 0.00 0.00 56.01 55.10 1xkp n LEU 12 Cb 0.34 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1xkp n LEU 12 CO 0.30 0.44 -0.01 0.61 -1.33 0.00 0.00 177.39 177.41 1xkp n GLY 13 N 1.31 0.44 0.00 -0.72 0.00 -0.68 -5.08 105.19 100.46 1xkp n GLY 13 Ca 0.15 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1xkp n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xkp n ARG 14 N -2.96 0.00 -3.53 1.61 1.74 -0.14 -4.99 116.66 108.39 1xkp n ARG 14 Ca -0.01 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.73 1xkp n ARG 14 Cb 0.02 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.41 1xkp n ARG 14 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1xkp s PRO 16 N 3.45 3.79 0.48 5.56 0.04 -1.26 -4.01 135.00 143.06 1xkp s PRO 16 Ca 0.00 0.22 -0.21 0.00 0.04 0.00 0.00 61.00 61.05 1xkp s PRO 16 Cb 0.00 -2.96 -0.08 0.00 0.04 0.00 0.00 34.50 31.50 1xkp s PRO 16 CO 0.00 0.53 1.06 -0.06 0.04 0.00 0.00 177.00 178.56 1xkp s PHE 17 N -1.45 2.99 -0.14 0.56 0.08 -1.26 -5.05 117.98 113.71 1xkp s PHE 17 Ca 0.35 1.58 -0.05 0.00 0.12 0.00 0.00 56.93 58.93 1xkp s PHE 17 Cb -0.14 -3.12 -0.04 0.00 -0.57 0.00 0.00 43.02 39.15 1xkp s PHE 17 CO 0.19 -0.93 0.05 0.08 -0.10 0.00 0.00 175.22 174.51 1xkp s VAL 18 N -1.88 4.67 0.26 -0.44 1.01 -1.26 -5.07 120.40 117.69 1xkp s VAL 18 Ca 0.66 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 1xkp s VAL 18 Cb -0.19 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1xkp s VAL 18 CO 0.23 0.53 0.48 0.00 0.00 0.00 0.00 175.10 176.34 1xkp s ALA 19 N -0.18 3.72 0.00 5.51 0.00 -1.26 -4.58 121.76 124.97 1xkp s ALA 19 Ca 0.07 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1xkp s ALA 19 Cb -0.12 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.85 1xkp s ALA 19 CO 0.01 0.29 0.00 -0.40 0.00 0.00 0.00 175.76 175.67 1xkp n ASP 20 N -0.92 0.00 0.00 0.00 5.75 0.26 -4.85 116.55 116.79 1xkp n ASP 20 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 1xkp n ASP 20 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1xkp n ASP 20 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xkp n GLN 22 N 0.00 0.00 -0.65 0.11 3.00 -1.26 -4.12 117.38 114.47 1xkp n GLN 22 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1xkp n GLN 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1xkp n GLN 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xkp n GLY 23 N 0.00 0.67 3.73 1.08 0.00 -1.26 -4.89 105.19 104.51 1xkp n GLY 23 Ca 0.00 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1xkp n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xkp s VAL 24 N -2.00 4.57 0.07 1.61 1.01 -1.26 -4.55 120.40 119.85 1xkp s VAL 24 Ca 0.00 1.96 0.01 0.00 0.00 0.00 0.00 61.98 63.96 1xkp s VAL 24 Cb 0.00 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1xkp s VAL 24 CO 0.00 0.32 0.16 -0.31 0.00 0.00 0.00 175.10 175.28 1xkp s TYR 25 N 0.02 3.39 -0.11 5.22 2.02 -0.25 -0.58 117.35 127.06 1xkp s TYR 25 Ca 0.45 0.18 -0.02 0.00 -0.37 0.00 0.00 57.07 57.31 1xkp s TYR 25 Cb -0.23 -1.70 0.04 0.00 -0.40 0.00 0.00 41.96 39.67 1xkp s TYR 25 CO 0.28 0.56 0.03 1.03 -1.57 0.00 0.00 175.55 175.88 1xkp s ARG 26 N -2.50 0.46 -0.07 -0.62 0.52 -1.26 -1.12 118.95 114.36 1xkp s ARG 26 Ca 0.33 -0.00 0.05 0.00 -0.52 0.00 0.00 55.73 55.59 1xkp s ARG 26 Cb -0.13 -1.28 -0.01 0.00 0.52 0.00 0.00 34.95 34.05 1xkp s ARG 26 CO 0.26 -0.43 -0.22 -0.51 0.02 0.00 0.00 175.30 174.41 1xkp s LEU 27 N 1.99 2.21 -0.24 2.53 1.43 -0.34 -4.99 118.68 121.28 1xkp s LEU 27 Ca 0.03 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.59 1xkp s LEU 27 Cb -0.14 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 1xkp s LEU 27 CO -0.06 0.24 0.08 -0.89 0.23 0.00 0.00 176.35 175.95 1xkp s THR 28 N -0.11 4.47 -0.16 5.49 2.01 -1.26 0.09 115.64 126.17 1xkp s THR 28 Ca -0.04 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1xkp s THR 28 Cb -0.14 -3.08 0.03 0.00 0.01 0.00 0.00 72.50 69.31 1xkp s THR 28 CO 0.04 0.35 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.58 1xkp s ILE 29 N 1.45 1.44 0.00 1.82 1.01 -1.26 -4.83 121.20 120.82 1xkp s ILE 29 Ca 0.06 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1xkp s ILE 29 Cb -0.15 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.89 1xkp s ILE 29 CO 0.04 0.33 0.00 0.47 0.00 0.00 0.00 174.94 175.79 1xkp n ASP 30 N 4.79 0.00 0.00 3.58 8.00 -1.26 -4.75 116.55 126.92 1xkp n ASP 30 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1xkp n ASP 30 Cb 0.49 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1xkp n ASP 30 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1xkp n HIS 32 N -0.00 0.00 -2.59 1.24 8.25 -1.26 -5.16 115.22 115.70 1xkp n HIS 32 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1xkp n HIS 32 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1xkp n HIS 32 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1xkp s LEU 33 N 0.00 4.28 -0.26 2.41 2.96 -1.26 -4.21 118.68 122.59 1xkp s LEU 33 Ca 0.00 1.68 0.02 0.00 -0.22 0.00 0.00 54.13 55.61 1xkp s LEU 33 Cb 0.00 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 43.19 1xkp s LEU 33 CO 0.00 -0.48 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.76 1xkp s VAL 34 N 1.93 2.26 0.06 1.68 1.01 0.11 -4.36 120.40 123.09 1xkp s VAL 34 Ca 0.52 -1.61 -0.24 0.00 0.00 0.00 0.00 61.98 60.65 1xkp s VAL 34 Cb -0.22 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 33.78 1xkp s VAL 34 CO 0.21 -0.03 0.73 -0.04 0.00 0.00 0.00 175.10 175.96 1xkp s MET 35 N 1.12 4.46 -0.23 2.72 -1.94 -0.10 -1.20 119.30 124.13 1xkp s MET 35 Ca -0.09 1.01 0.02 0.00 -1.71 0.00 0.00 55.69 54.92 1xkp s MET 35 Cb -0.20 -3.33 0.05 0.00 2.01 0.00 0.00 34.83 33.36 1xkp s MET 35 CO -0.05 0.38 -0.10 -0.51 -0.01 0.00 0.00 175.02 174.74 1xkp s LEU 36 N -0.37 2.84 -0.23 -0.03 1.02 -0.27 -1.12 118.68 120.51 1xkp s LEU 36 Ca 0.36 -1.17 0.01 0.00 0.02 0.00 0.00 54.13 53.35 1xkp s LEU 36 Cb -0.21 -1.36 0.06 0.00 0.02 0.00 0.00 46.19 44.70 1xkp s LEU 36 CO 0.22 -0.18 -0.06 0.00 0.02 0.00 0.00 176.35 176.35 1xkp s ALA 37 N 1.27 2.00 0.08 4.21 0.00 -0.23 -1.09 121.76 128.00 1xkp s ALA 37 Ca -0.05 -1.36 -0.31 0.00 0.00 0.00 0.00 51.96 50.24 1xkp s ALA 37 Cb -0.18 -1.42 -0.07 0.00 0.00 0.00 0.00 23.12 21.45 1xkp s ALA 37 CO -0.07 -1.14 1.31 -2.14 0.00 0.00 0.00 175.76 173.72 1xkp s PRO 38 N 1.38 4.36 -0.13 0.00 0.02 -1.26 -0.83 135.00 138.54 1xkp s PRO 38 Ca -0.05 1.93 -0.02 0.00 0.02 0.00 0.00 61.00 62.88 1xkp s PRO 38 Cb -0.19 -3.32 0.04 0.00 0.02 0.00 0.00 34.50 31.06 1xkp s PRO 38 CO -0.06 -0.37 0.01 -1.58 -0.33 0.00 0.00 177.00 174.66 1xkp s HIS 39 N 1.19 0.92 0.00 6.54 2.46 0.16 -4.96 115.29 121.61 1xkp s HIS 39 Ca 0.62 -0.55 0.00 0.00 0.47 0.00 0.00 55.06 55.60 1xkp s HIS 39 Cb -0.33 -0.95 0.00 0.00 -0.13 0.00 0.00 32.58 31.17 1xkp s HIS 39 CO 0.29 -0.48 0.00 0.41 -2.47 0.00 0.00 174.74 172.50 1xkp n GLY 40 N 5.08 3.21 0.60 1.59 0.00 -1.26 -0.62 105.19 113.79 1xkp n GLY 40 Ca -0.08 0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1xkp n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xkp n SER 41 N 5.34 1.81 -4.62 1.61 3.41 -1.26 -4.87 113.62 115.05 1xkp n SER 41 Ca 0.00 -1.72 -0.24 0.00 -0.26 0.00 0.00 58.87 56.65 1xkp n SER 41 Cb 0.00 -0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 63.77 1xkp n SER 41 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1xkp s GLU 42 N -1.79 2.21 -0.14 4.33 2.02 0.21 -1.69 118.70 123.85 1xkp s GLU 42 Ca 0.33 -1.38 0.01 0.00 0.02 0.00 0.00 54.97 53.95 1xkp s GLU 42 Cb 0.18 -2.15 -0.00 0.00 0.10 0.00 0.00 34.13 32.26 1xkp s GLU 42 CO 0.27 0.39 -0.17 -1.17 0.02 0.00 0.00 175.26 174.59 1xkp s LEU 43 N -3.41 2.39 -0.17 1.80 2.96 0.88 -0.66 118.68 122.47 1xkp s LEU 43 Ca 0.29 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.70 1xkp s LEU 43 Cb -0.07 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 1xkp s LEU 43 CO 0.18 0.11 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.54 1xkp s VAL 44 N 0.67 3.23 -0.07 1.68 1.01 -0.01 -0.14 120.40 126.77 1xkp s VAL 44 Ca -0.09 -0.57 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 1xkp s VAL 44 Cb -0.16 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1xkp s VAL 44 CO 0.02 0.49 0.40 -0.76 0.00 0.00 0.00 175.10 175.24 1xkp s LEU 45 N 0.78 4.37 -0.01 3.92 1.02 0.34 -1.06 118.68 128.03 1xkp s LEU 45 Ca -0.04 0.82 0.00 0.00 0.02 0.00 0.00 54.13 54.93 1xkp s LEU 45 Cb -0.15 -2.56 0.02 0.00 0.02 0.00 0.00 46.19 43.52 1xkp s LEU 45 CO 0.01 0.19 0.00 -0.13 0.02 0.00 0.00 176.35 176.45 1xkp s ARG 46 N -0.29 0.11 -0.24 1.70 0.52 -0.28 -1.13 118.95 119.35 1xkp s ARG 46 Ca 0.23 0.06 -0.00 0.00 -0.52 0.00 0.00 55.73 55.49 1xkp s ARG 46 Cb -0.15 -0.25 0.07 0.00 0.52 0.00 0.00 34.95 35.14 1xkp s ARG 46 CO 0.10 -0.07 -0.01 0.99 0.02 0.00 0.00 175.30 176.33 1xkp s THR 47 N 0.58 1.22 0.30 0.02 2.01 -0.20 -0.92 115.64 118.64 1xkp s THR 47 Ca -0.05 -1.11 -0.30 0.00 0.31 0.00 0.00 61.69 60.54 1xkp s THR 47 Cb -0.08 -1.62 -0.11 0.00 0.01 0.00 0.00 72.50 70.71 1xkp s THR 47 CO -0.01 -0.21 1.52 -2.84 -0.69 0.00 0.00 174.62 172.38 1xkp s PRO 48 N 1.52 4.17 -0.13 4.92 0.02 -1.26 -1.45 135.00 142.79 1xkp s PRO 48 Ca -0.02 2.48 -0.01 0.00 0.02 0.00 0.00 61.00 63.47 1xkp s PRO 48 Cb -0.18 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.28 1xkp s PRO 48 CO -0.09 -0.53 -0.10 0.42 -0.33 0.00 0.00 177.00 176.37 1xkp s ILE 49 N -0.24 3.37 -0.10 2.83 1.01 0.19 -4.93 121.20 123.34 1xkp s ILE 49 Ca 0.60 -0.55 -0.27 0.00 0.00 0.00 0.00 60.65 60.43 1xkp s ILE 49 Cb -0.45 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 1xkp s ILE 49 CO 0.49 0.52 0.88 -1.81 0.00 0.00 0.00 174.94 175.02 1xkp s ASP 50 N 0.27 7.12 -0.41 3.58 1.01 -1.26 -4.04 116.67 122.95 1xkp s ASP 50 Ca -0.07 1.37 0.06 0.00 0.71 0.00 0.00 52.55 54.62 1xkp s ASP 50 Cb -0.15 -2.50 0.21 0.00 1.01 0.00 0.00 42.92 41.49 1xkp s ASP 50 CO 0.04 -0.33 0.45 0.00 0.21 0.00 0.00 175.17 175.54 1xkp n ALA 51 N 4.63 2.45 -0.34 5.23 0.00 -1.26 -4.85 120.51 126.37 1xkp n ALA 51 Ca 0.05 -3.15 0.20 0.00 0.00 0.00 0.00 53.44 50.54 1xkp n ALA 51 Cb 0.50 -0.81 0.43 0.00 0.00 0.00 0.00 19.45 19.57 1xkp n ALA 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xkp h PRO 52 N 4.82 0.48 0.00 0.00 0.11 -1.94 0.15 132.00 135.61 1xkp h PRO 52 Ca 0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1xkp h PRO 52 Cb 0.90 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1xkp h PRO 52 CO 0.40 0.32 0.00 -1.33 -0.21 0.00 0.00 178.00 177.18 1xkp n MET 53 N -4.83 0.35 -0.31 1.05 2.81 -1.26 -3.65 117.12 111.27 1xkp n MET 53 Ca 0.27 0.04 0.02 0.00 -1.81 0.00 0.00 57.70 56.23 1xkp n MET 53 Cb 0.83 -1.50 0.16 0.00 -0.71 0.00 0.00 33.22 31.99 1xkp n MET 53 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1xkp h LEU 54 N 0.00 0.81 -7.52 4.03 5.85 -1.07 -3.40 115.31 114.02 1xkp h LEU 54 Ca 0.00 0.03 -0.22 0.00 0.84 0.00 0.00 57.88 58.52 1xkp h LEU 54 Cb 0.26 -0.14 -0.29 0.00 0.37 0.00 0.00 40.66 40.85 1xkp h LEU 54 CO 0.00 0.50 -0.59 0.00 -0.34 0.00 0.00 178.44 178.00 1xkp s ARG 55 N -6.04 0.11 -0.37 1.25 1.70 -1.24 0.06 118.95 114.42 1xkp s ARG 55 Ca -0.12 0.27 -0.14 0.00 -0.47 0.00 0.00 55.73 55.26 1xkp s ARG 55 Cb 0.19 -0.07 -0.00 0.00 -0.57 0.00 0.00 34.95 34.50 1xkp s ARG 55 CO 0.79 -0.10 0.30 -2.00 -1.08 0.00 0.00 175.30 173.21 1xkp s GLU 56 N 0.65 3.33 6.02 3.89 2.12 -0.08 -4.88 118.70 129.75 1xkp s GLU 56 Ca -0.05 -0.72 0.00 0.00 0.36 0.00 0.00 54.97 54.56 1xkp s GLU 56 Cb -0.07 -3.87 0.00 0.00 0.26 0.00 0.00 34.13 30.46 1xkp s GLU 56 CO -0.03 -0.58 0.00 0.41 -0.54 0.00 0.00 175.26 174.52 1xkp n GLY 57 N 5.09 3.25 0.04 -1.50 0.00 -1.26 -0.95 105.19 109.86 1xkp n GLY 57 Ca -0.11 0.26 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1xkp n GLY 57 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xkp n ASN 58 N 8.48 0.62 -4.62 1.61 5.03 -1.26 -4.91 115.26 120.20 1xkp n ASN 58 Ca 0.00 -0.13 -0.43 0.00 0.87 0.00 0.00 54.58 54.89 1xkp n ASN 58 Cb 0.00 0.73 -0.02 0.00 -1.02 0.00 0.00 39.78 39.46 1xkp n ASN 58 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1xkp s ASN 59 N -4.06 6.59 0.14 6.41 0.01 -0.13 -4.99 114.94 118.92 1xkp s ASN 59 Ca 0.03 0.89 -0.31 0.00 -0.71 0.00 0.00 52.86 52.77 1xkp s ASN 59 Cb 0.14 -2.54 -0.08 0.00 0.41 0.00 0.00 41.25 39.18 1xkp s ASN 59 CO 0.79 -1.20 1.35 -0.69 -1.51 0.00 0.00 177.10 175.83 1xkp s VAL 60 N 4.62 3.32 -0.75 1.60 1.01 -1.26 -0.90 120.40 128.04 1xkp s VAL 60 Ca 0.54 0.99 -0.26 0.00 0.00 0.00 0.00 61.98 63.25 1xkp s VAL 60 Cb -0.13 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1xkp s VAL 60 CO 0.27 0.10 1.52 0.21 0.00 0.00 0.00 175.10 177.21 1xkp s ASN 61 N 0.81 5.86 0.10 3.32 3.84 0.11 -4.86 114.94 124.11 1xkp s ASN 61 Ca 0.61 -0.34 -0.16 0.00 0.21 0.00 0.00 52.86 53.18 1xkp s ASN 61 Cb -0.36 -2.55 -0.06 0.00 -0.55 0.00 0.00 41.25 37.73 1xkp s ASN 61 CO 0.33 -2.03 1.50 0.58 -2.79 0.00 0.00 177.10 174.70 1xkp h VAL 62 N 6.47 1.28 -0.70 -5.21 2.07 -1.93 -1.54 116.25 116.69 1xkp h VAL 62 Ca -0.19 -1.11 0.12 0.00 0.82 0.00 0.00 66.70 66.34 1xkp h VAL 62 Cb 1.08 1.35 -0.08 0.00 -1.52 0.00 0.00 31.29 32.12 1xkp h VAL 62 CO 1.27 0.36 0.29 0.74 0.02 0.00 0.00 177.57 180.26 1xkp h THR 63 N 0.38 0.74 -0.34 2.57 2.02 -1.99 0.24 112.91 116.53 1xkp h THR 63 Ca 0.08 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 1xkp h THR 63 Cb 0.56 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1xkp h THR 63 CO 0.03 0.09 -0.08 0.25 0.37 0.00 0.00 175.52 176.18 1xkp h LEU 64 N 0.48 0.65 -0.34 2.58 5.85 -1.93 -2.05 115.31 120.55 1xkp h LEU 64 Ca 0.37 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1xkp h LEU 64 Cb 0.49 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1xkp h LEU 64 CO -0.34 0.86 0.12 0.25 -0.34 0.00 0.00 178.44 179.00 1xkp h LEU 65 N 0.43 0.48 -0.74 2.25 5.85 -0.41 0.82 115.31 123.99 1xkp h LEU 65 Ca 0.09 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1xkp h LEU 65 Cb 0.58 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 1xkp h LEU 65 CO 0.03 0.54 0.47 -0.09 -0.34 0.00 0.00 178.44 179.05 1xkp h ARG 66 N 0.40 0.89 -0.32 1.25 2.43 -0.57 -0.45 114.38 118.00 1xkp h ARG 66 Ca 0.11 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1xkp h ARG 66 Cb 0.21 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1xkp h ARG 66 CO -0.01 0.59 0.14 1.03 -1.51 0.00 0.00 179.97 180.21 1xkp h SER 67 N 0.91 0.44 -0.69 -3.80 0.87 -0.74 -0.05 113.55 110.49 1xkp h SER 67 Ca 0.30 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1xkp h SER 67 Cb 0.02 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 1xkp h SER 67 CO -0.11 0.47 0.32 -0.07 -0.53 0.00 0.00 176.83 176.91 1xkp h LEU 68 N 0.38 0.93 -0.59 2.23 3.38 -0.53 -1.43 115.31 119.69 1xkp h LEU 68 Ca 0.11 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1xkp h LEU 68 Cb 0.16 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1xkp h LEU 68 CO -0.01 0.80 -0.65 0.24 0.09 0.00 0.00 178.44 178.91 1xkp h MET 69 N 1.02 0.24 -0.68 1.13 2.86 -0.82 -0.54 114.93 118.14 1xkp h MET 69 Ca 0.25 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1xkp h MET 69 Cb 0.13 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1xkp h MET 69 CO -0.03 0.81 0.39 1.96 1.06 0.00 0.00 176.91 181.10 1xkp h GLN 70 N 0.17 0.94 -0.69 1.72 4.20 -0.75 -2.08 115.11 118.63 1xkp h GLN 70 Ca -0.01 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.52 1xkp h GLN 70 Cb 1.17 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.74 1xkp h GLN 70 CO 0.10 0.69 0.12 1.96 -0.67 0.00 0.00 178.83 181.03 1xkp h GLN 71 N 0.93 1.13 -0.84 1.46 4.20 -0.81 -1.61 115.11 119.57 1xkp h GLN 71 Ca 0.24 -0.30 0.06 0.00 0.06 0.00 0.00 58.65 58.72 1xkp h GLN 71 Cb 0.01 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 27.59 1xkp h GLN 71 CO -0.04 1.02 0.51 0.00 -0.67 0.00 0.00 178.83 179.65 1xkp h ALA 72 N 1.06 1.15 -0.37 3.87 0.00 -0.83 -0.30 119.26 123.85 1xkp h ALA 72 Ca 0.21 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1xkp h ALA 72 Cb 0.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1xkp h ALA 72 CO 0.01 0.24 -0.13 1.25 0.00 0.00 0.00 179.25 180.63 1xkp h LEU 73 N 0.93 0.74 -1.67 0.00 5.85 -1.25 -2.90 115.31 117.01 1xkp h LEU 73 Ca 0.37 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1xkp h LEU 73 Cb 0.19 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1xkp h LEU 73 CO -0.18 0.96 0.24 0.00 -0.34 0.00 0.00 178.44 179.12 1xkp h ALA 74 N 0.81 1.79 -0.00 1.25 0.00 -0.40 -2.33 119.26 120.37 1xkp h ALA 74 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xkp h ALA 74 Cb 0.65 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xkp h ALA 74 CO 0.04 0.19 -0.28 -2.67 0.00 0.00 0.00 179.25 176.53 1xkp n TRP 75 N -4.48 0.00 -0.08 0.00 2.14 -0.21 -4.54 117.44 110.26 1xkp n TRP 75 Ca 0.03 0.00 0.02 0.00 2.07 0.00 0.00 57.50 59.62 1xkp n TRP 75 Cb 0.09 -0.18 0.35 0.00 -0.81 0.00 0.00 31.31 30.76 1xkp n TRP 75 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1xkp h ALA 76 N 3.47 1.59 -0.07 -1.67 0.00 -1.21 -0.55 119.26 120.83 1xkp h ALA 76 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1xkp h ALA 76 Cb 0.48 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1xkp h ALA 76 CO 0.00 0.37 -0.48 0.87 0.00 0.00 0.00 179.25 180.01 1xkp h LYS 77 N 0.73 0.17 0.00 0.00 1.57 -1.80 -3.33 116.57 113.90 1xkp h LYS 77 Ca 0.19 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1xkp h LYS 77 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1xkp h LYS 77 CO -0.04 0.62 -1.56 0.54 -0.57 0.00 0.00 179.45 178.43 1xkp n ARG 78 N -3.97 0.74 -4.69 3.15 1.74 -0.89 -4.96 116.66 107.78 1xkp n ARG 78 Ca -0.02 -0.12 -0.23 0.00 -0.77 0.00 0.00 57.85 56.71 1xkp n ARG 78 Cb 0.52 -1.38 -0.15 0.00 -1.02 0.00 0.00 32.46 30.43 1xkp n ARG 78 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1xkp s TYR 79 N -3.05 1.35 -1.46 -1.55 1.51 -0.26 -5.05 117.35 108.84 1xkp s TYR 79 Ca -0.04 -0.27 0.27 0.00 -1.01 0.00 0.00 57.07 56.02 1xkp s TYR 79 Cb 0.11 -0.88 0.84 0.00 -0.11 0.00 0.00 41.96 41.92 1xkp s TYR 79 CO 0.70 -0.04 1.62 -0.35 -1.11 0.00 0.00 175.55 176.38 1xkp n PRO 80 N 2.79 0.50 -1.76 -1.71 -0.04 -1.26 -4.40 135.00 129.12 1xkp n PRO 80 Ca -0.15 -0.25 -0.37 0.00 -0.04 0.00 0.00 63.50 62.69 1xkp n PRO 80 Cb 0.55 -1.49 0.06 0.00 -0.04 0.00 0.00 33.50 32.58 1xkp n PRO 80 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1xkp s GLN 81 N -2.67 2.62 -0.06 0.54 1.11 -1.26 -4.68 119.66 115.26 1xkp s GLN 81 Ca 0.21 2.07 0.05 0.00 0.01 0.00 0.00 55.36 57.69 1xkp s GLN 81 Cb 0.19 -1.88 -0.00 0.00 -1.01 0.00 0.00 33.01 30.31 1xkp s GLN 81 CO 0.56 -1.55 -0.20 0.99 0.01 0.00 0.00 175.29 175.10 1xkp s THR 82 N -1.40 1.70 -0.16 -0.19 2.01 0.13 -4.93 115.64 112.80 1xkp s THR 82 Ca 0.82 -0.86 -0.15 0.00 0.31 0.00 0.00 61.69 61.80 1xkp s THR 82 Cb -0.37 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 1xkp s THR 82 CO 0.40 0.48 0.35 -0.22 -0.69 0.00 0.00 174.62 174.94 1xkp s LEU 83 N 0.05 4.23 0.22 4.42 2.96 -1.26 -0.79 118.68 128.50 1xkp s LEU 83 Ca -0.06 0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 54.40 1xkp s LEU 83 Cb -0.13 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1xkp s LEU 83 CO 0.04 0.03 0.17 0.68 -1.32 0.00 0.00 176.35 175.95 1xkp s VAL 84 N 0.72 0.00 -0.10 1.68 -7.23 -0.21 -5.00 120.40 110.25 1xkp s VAL 84 Ca 0.19 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 1xkp s VAL 84 Cb -0.14 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 1xkp s VAL 84 CO 0.06 0.00 -0.11 -0.76 -0.31 0.00 0.00 175.10 173.99 1xkp s LEU 85 N -3.18 2.89 0.00 1.32 1.43 -1.26 -1.10 118.68 118.79 1xkp s LEU 85 Ca 0.38 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1xkp s LEU 85 Cb 0.06 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.64 1xkp s LEU 85 CO 0.14 0.25 0.00 -0.90 0.23 0.00 0.00 176.35 176.06 1xkp n ASP 86 N 3.00 0.00 0.21 2.29 5.68 0.03 -4.89 116.55 122.87 1xkp n ASP 86 Ca -0.18 -0.46 0.14 0.00 -0.50 0.00 0.00 54.79 53.79 1xkp n ASP 86 Cb 0.53 0.00 0.39 0.00 -1.14 0.00 0.00 41.12 40.89 1xkp n ASP 86 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1xkp h ASP 87 N 0.00 0.00 -0.16 -1.12 5.19 -2.01 -1.34 116.42 116.98 1xkp h ASP 87 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1xkp h ASP 87 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1xkp h ASP 87 CO 0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 1xkp n GLY 89 N 1.17 -0.06 3.80 0.00 0.00 -0.50 -5.01 105.19 104.58 1xkp n GLY 89 Ca 0.17 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 1xkp n GLY 89 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xkp s GLN 90 N -4.57 3.08 0.41 1.61 -1.52 -1.26 -4.78 119.66 112.63 1xkp s GLN 90 Ca 0.00 -0.52 -0.26 0.00 -1.95 0.00 0.00 55.36 52.63 1xkp s GLN 90 Cb 0.00 -2.86 -0.09 0.00 -0.22 0.00 0.00 33.01 29.85 1xkp s GLN 90 CO 0.00 0.63 1.29 -1.17 -0.25 0.00 0.00 175.29 175.79 1xkp s LEU 91 N -1.96 4.20 -0.07 2.90 2.96 -1.26 -0.79 118.68 124.66 1xkp s LEU 91 Ca 0.26 2.62 -0.04 0.00 -0.22 0.00 0.00 54.13 56.75 1xkp s LEU 91 Cb -0.12 -3.93 0.03 0.00 0.50 0.00 0.00 46.19 42.67 1xkp s LEU 91 CO 0.17 -0.86 0.17 -0.69 -1.32 0.00 0.00 176.35 173.83 1xkp s VAL 92 N -1.28 -0.03 -0.32 1.68 1.01 -0.26 -0.63 120.40 120.57 1xkp s VAL 92 Ca 0.57 0.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.47 1xkp s VAL 92 Cb -0.37 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 1xkp s VAL 92 CO 0.48 0.04 0.55 -0.22 0.00 0.00 0.00 175.10 175.95 1xkp s LEU 93 N 0.75 4.23 0.21 3.92 2.96 -0.53 -1.05 118.68 129.18 1xkp s LEU 93 Ca -0.05 0.19 0.11 0.00 -0.22 0.00 0.00 54.13 54.15 1xkp s LEU 93 Cb -0.07 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 1xkp s LEU 93 CO -0.04 -0.46 -0.20 -1.61 -1.32 0.00 0.00 176.35 172.73 1xkp s GLU 94 N 2.46 1.68 -0.08 1.98 2.02 0.03 -1.03 118.70 125.75 1xkp s GLU 94 Ca 0.21 -1.53 -0.03 0.00 0.02 0.00 0.00 54.97 53.64 1xkp s GLU 94 Cb -0.15 -1.90 0.05 0.00 0.10 0.00 0.00 34.13 32.23 1xkp s GLU 94 CO 0.12 0.39 0.17 0.00 0.02 0.00 0.00 175.26 175.96 1xkp s ALA 95 N -1.88 -0.26 -0.32 5.21 0.00 -0.28 0.17 121.76 124.40 1xkp s ALA 95 Ca 0.24 0.67 -0.10 0.00 0.00 0.00 0.00 51.96 52.76 1xkp s ALA 95 Cb -0.07 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 1xkp s ALA 95 CO 0.12 -0.39 0.18 1.03 0.00 0.00 0.00 175.76 176.70 1xkp s ARG 96 N 1.79 3.42 -0.15 0.00 0.52 -1.26 -0.51 118.95 122.77 1xkp s ARG 96 Ca -0.03 -0.67 -0.03 0.00 -0.52 0.00 0.00 55.73 54.49 1xkp s ARG 96 Cb -0.12 -3.63 -0.02 0.00 0.52 0.00 0.00 34.95 31.70 1xkp s ARG 96 CO -0.06 -0.40 -0.06 -0.51 0.02 0.00 0.00 175.30 174.28 1xkp s LEU 97 N 1.65 3.09 -0.22 2.53 1.43 0.80 -4.96 118.68 123.00 1xkp s LEU 97 Ca 0.05 -0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 52.67 1xkp s LEU 97 Cb -0.17 -1.73 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 1xkp s LEU 97 CO 0.08 0.16 1.24 -0.13 0.23 0.00 0.00 176.35 177.93 1xkp s ARG 98 N 0.38 4.13 0.58 1.70 0.52 -1.26 -0.09 118.95 124.92 1xkp s ARG 98 Ca -0.06 1.47 0.32 0.00 -0.52 0.00 0.00 55.73 56.94 1xkp s ARG 98 Cb -0.15 -3.78 1.81 0.00 0.52 0.00 0.00 34.95 33.35 1xkp s ARG 98 CO 0.04 -0.83 2.22 -0.07 0.02 0.00 0.00 175.30 176.68 1xkp h LEU 99 N 10.05 0.00 -2.54 2.53 3.38 -1.66 -2.39 115.31 124.68 1xkp h LEU 99 Ca -0.25 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.73 1xkp h LEU 99 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1xkp h LEU 99 CO 0.99 0.03 0.03 1.56 0.09 0.00 0.00 178.44 181.15 1xkp h GLN 100 N 0.00 0.00 0.00 1.13 1.08 -1.92 -3.11 115.11 112.29 1xkp h GLN 100 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1xkp h GLN 100 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1xkp h GLN 100 CO 0.00 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.27 1xkp n GLU 101 N -3.67 -0.28 -3.70 1.46 1.02 -0.92 -5.04 120.64 109.52 1xkp n GLU 101 Ca -0.02 -0.60 -0.35 0.00 -0.02 0.00 0.00 57.16 56.17 1xkp n GLU 101 Cb 0.11 -0.94 -0.08 0.00 -0.02 0.00 0.00 31.44 30.52 1xkp n GLU 101 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1xkp s LEU 102 N -0.15 4.19 0.00 -4.62 2.96 -1.12 -5.02 118.68 114.92 1xkp s LEU 102 Ca 0.00 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 1xkp s LEU 102 Cb 0.00 -2.11 0.02 0.00 0.50 0.00 0.00 46.19 44.59 1xkp s LEU 102 CO 0.00 0.15 0.14 -0.90 -1.32 0.00 0.00 176.35 174.42 1xkp n ASP 103 N 3.71 3.24 -0.22 3.68 5.75 -1.26 -4.98 116.55 126.47 1xkp n ASP 103 Ca -0.15 -3.17 -0.07 0.00 -0.01 0.00 0.00 54.79 51.38 1xkp n ASP 103 Cb 0.52 0.23 0.06 0.00 -1.03 0.00 0.00 41.12 40.90 1xkp n ASP 103 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1xkp h THR 104 N 1.07 1.26 -0.50 2.12 2.02 -1.97 -1.14 112.91 115.77 1xkp h THR 104 Ca -0.41 -1.05 0.09 0.00 0.77 0.00 0.00 66.41 65.81 1xkp h THR 104 Cb 1.31 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 68.32 1xkp h THR 104 CO 0.67 0.39 0.09 -0.74 0.37 0.00 0.00 175.52 176.30 1xkp h HIS 105 N 1.00 0.14 -0.64 3.16 -0.00 -1.97 -0.81 115.15 116.03 1xkp h HIS 105 Ca 0.19 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.51 1xkp h HIS 105 Cb 0.45 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.85 1xkp h HIS 105 CO 0.03 -0.02 0.08 0.78 -0.00 0.00 0.00 177.93 178.81 1xkp h GLY 106 N 0.22 1.15 0.94 5.26 0.00 -1.76 -0.59 103.07 108.29 1xkp h GLY 106 Ca 0.25 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 1xkp h GLY 106 CO -0.33 0.71 0.10 -2.00 0.00 0.00 0.00 176.54 175.01 1xkp h LEU 107 N 0.99 0.22 -0.59 3.11 5.85 -0.92 -1.60 115.31 122.37 1xkp h LEU 107 Ca 0.19 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1xkp h LEU 107 Cb 0.46 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1xkp h LEU 107 CO 0.02 0.24 0.38 -0.61 -0.34 0.00 0.00 178.44 178.12 1xkp h GLN 108 N 0.18 0.78 -0.64 1.25 4.15 -0.85 -1.56 115.11 118.41 1xkp h GLN 108 Ca 0.06 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.45 1xkp h GLN 108 Cb 0.07 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 27.54 1xkp h GLN 108 CO -0.01 0.53 0.40 0.93 -1.93 0.00 0.00 178.83 178.75 1xkp h GLU 109 N 0.80 0.76 -0.14 1.69 4.39 -0.87 0.13 114.58 121.33 1xkp h GLU 109 Ca 0.21 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.75 1xkp h GLU 109 Cb -0.07 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.40 1xkp h GLU 109 CO -0.04 0.50 -0.42 0.28 -1.16 0.00 0.00 179.01 178.16 1xkp h VAL 110 N 0.78 1.31 -0.30 3.13 2.07 -0.90 -2.58 116.25 119.77 1xkp h VAL 110 Ca 0.26 -1.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 1xkp h VAL 110 Cb 0.02 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1xkp h VAL 110 CO -0.11 0.48 0.13 0.40 0.02 0.00 0.00 177.57 178.49 1xkp h ILE 111 N 0.28 1.17 0.00 4.57 2.04 -0.85 0.11 117.51 124.83 1xkp h ILE 111 Ca 0.02 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1xkp h ILE 111 Cb 0.86 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1xkp h ILE 111 CO 0.07 0.18 0.00 0.59 0.00 0.00 0.00 178.15 178.99 1xkp n ASN 112 N -4.75 0.00 0.00 1.72 3.02 -0.01 -1.90 115.26 113.34 1xkp n ASN 112 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1xkp n ASN 112 Cb 0.12 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 1xkp n ASN 112 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1xkp n GLN 114 N 0.48 0.00 -0.01 3.52 -0.06 0.39 -1.52 117.38 120.18 1xkp n GLN 114 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.91 1xkp n GLN 114 Cb 0.00 0.00 0.06 0.00 -4.06 0.00 0.00 30.24 26.24 1xkp n GLN 114 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1xkp h LEU 115 N 0.00 0.64 -0.27 1.69 3.38 -1.65 -0.90 115.31 118.19 1xkp h LEU 115 Ca 0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1xkp h LEU 115 Cb 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1xkp h LEU 115 CO 0.00 1.03 0.17 0.00 0.09 0.00 0.00 178.44 179.73 1xkp h ALA 116 N 0.99 0.34 -0.48 1.53 0.00 -1.53 -0.88 119.26 119.22 1xkp h ALA 116 Ca 0.02 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1xkp h ALA 116 Cb 1.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1xkp h ALA 116 CO 0.10 -0.20 -0.17 -0.07 0.00 0.00 0.00 179.25 178.91 1xkp h LEU 117 N 0.35 0.96 -0.64 0.00 3.38 -1.78 -2.55 115.31 115.03 1xkp h LEU 117 Ca 0.10 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.78 1xkp h LEU 117 Cb -0.03 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 1xkp h LEU 117 CO -0.03 1.10 0.38 -0.07 0.09 0.00 0.00 178.44 179.91 1xkp h LEU 118 N 0.83 0.60 -1.82 1.67 3.38 -0.90 0.10 115.31 119.17 1xkp h LEU 118 Ca 0.12 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1xkp h LEU 118 Cb 0.72 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1xkp h LEU 118 CO 0.06 0.41 -0.14 -0.33 0.09 0.00 0.00 178.44 178.52 1xkp h GLU 119 N 0.73 0.00 0.18 1.13 5.08 -1.07 0.75 114.58 121.38 1xkp h GLU 119 Ca 0.27 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.32 1xkp h GLU 119 Cb 0.08 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.36 1xkp h GLU 119 CO -0.13 0.14 -1.33 1.25 -1.00 0.00 0.00 179.01 177.93 1xkp h HIS 120 N 0.00 1.00 0.10 4.33 2.76 -0.88 -3.41 115.15 119.05 1xkp h HIS 120 Ca -0.00 -0.67 -0.18 0.00 -2.20 0.00 0.00 60.37 57.32 1xkp h HIS 120 Cb 0.37 -0.06 0.01 0.00 1.55 0.00 0.00 27.41 29.28 1xkp h HIS 120 CO 0.00 1.51 -0.85 -0.07 -1.30 0.00 0.00 177.93 177.23 1xkp h LEU 121 N 0.20 0.33 -0.67 0.26 3.38 -0.26 -3.39 115.31 115.16 1xkp h LEU 121 Ca -0.22 -0.91 0.07 0.00 0.09 0.00 0.00 57.88 56.92 1xkp h LEU 121 Cb 2.02 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 42.60 1xkp h LEU 121 CO 0.25 1.39 0.36 0.40 0.09 0.00 0.00 178.44 180.93 1xkp h ILE 122 N -0.51 0.92 -0.26 1.22 2.04 -1.09 0.85 117.51 120.68 1xkp h ILE 122 Ca -0.17 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.54 1xkp h ILE 122 Cb 1.53 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1xkp h ILE 122 CO 0.08 0.12 0.23 -0.65 0.00 0.00 0.00 178.15 177.93 1xkp h PRO 123 N 0.64 0.00 0.00 2.37 0.11 -1.79 -0.08 132.00 133.25 1xkp h PRO 123 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1xkp h PRO 123 Cb 0.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.36 1xkp h PRO 123 CO -0.21 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.62 1xkp n GLN 124 N -4.03 0.08 -0.59 1.05 6.02 0.29 -3.82 117.38 116.37 1xkp n GLN 124 Ca 0.03 0.07 0.06 0.00 -0.01 0.00 0.00 57.00 57.16 1xkp n GLN 124 Cb 0.38 -1.50 0.16 0.00 1.02 0.00 0.00 30.24 30.30 1xkp n GLN 124 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1xkp n LEU 125 N -1.45 2.27 -3.51 1.08 4.77 -0.05 -5.05 117.00 115.06 1xkp n LEU 125 Ca 0.07 -3.33 -0.09 0.00 -0.03 0.00 0.00 56.01 52.64 1xkp n LEU 125 Cb 0.27 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1xkp n LEU 125 CO 0.22 1.07 0.68 0.42 -1.33 0.00 0.00 177.39 178.46 1xkp s THR 126 N -2.57 0.00 0.00 -5.08 -4.23 -1.22 -4.15 115.64 98.40 1xkp s THR 126 Ca 0.34 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 1xkp s THR 126 Cb 0.33 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 73.17 1xkp s THR 126 CO -0.06 0.00 0.00 -2.65 -0.54 0.00 0.00 174.62 171.37