#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k0h n ALA 2 N 0.00 0.00 -2.73 3.04 0.00 -1.26 -4.73 120.51 114.83 1k0h n ALA 2 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1k0h n ALA 2 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1k0h n ALA 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k0h s ASP 3 N -2.84 4.12 0.59 0.00 1.11 -1.26 -5.07 116.67 113.31 1k0h s ASP 3 Ca 0.00 -1.60 0.00 0.00 0.18 0.00 0.00 52.55 51.13 1k0h s ASP 3 Cb 0.00 0.39 0.00 0.00 1.07 0.00 0.00 42.92 44.38 1k0h s ASP 3 CO 0.00 -0.81 0.00 0.33 1.18 0.00 0.00 175.17 175.87 1k0h n PHE 4 N -1.25 -1.09 -2.97 4.23 7.35 -1.26 -4.97 117.46 117.51 1k0h n PHE 4 Ca -0.17 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.41 1k0h n PHE 4 Cb 0.67 0.15 0.04 0.00 0.35 0.00 0.00 39.48 40.69 1k0h n PHE 4 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1k0h n ASP 5 N -1.55 -3.62 -0.93 -2.13 2.03 -1.26 -4.79 116.55 104.30 1k0h n ASP 5 Ca 0.00 -0.28 0.12 0.00 0.52 0.00 0.00 54.79 55.15 1k0h n ASP 5 Cb 0.00 -2.81 -0.04 0.00 -0.72 0.00 0.00 41.12 37.55 1k0h n ASP 5 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1k0h n ASN 6 N -1.14 -5.53 -2.92 1.67 2.85 -1.26 -4.91 115.26 104.02 1k0h n ASN 6 Ca -0.04 0.51 -0.11 0.00 -0.11 0.00 0.00 54.58 54.84 1k0h n ASN 6 Cb 0.55 -2.89 0.09 0.00 1.24 0.00 0.00 39.78 38.77 1k0h n ASN 6 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1k0h n LEU 7 N -3.36 0.00 -3.87 1.20 4.77 -1.26 -5.08 117.00 109.40 1k0h n LEU 7 Ca -0.01 -0.40 -0.12 0.00 -0.03 0.00 0.00 56.01 55.46 1k0h n LEU 7 Cb 0.43 -0.36 -0.12 0.00 -2.33 0.00 0.00 43.42 41.03 1k0h n LEU 7 CO 0.01 -1.53 -0.28 -0.36 -1.33 0.00 0.00 177.39 173.90 1k0h s PHE 8 N -1.65 -0.02 0.15 -1.77 0.08 -1.26 -5.12 117.98 108.39 1k0h s PHE 8 Ca 0.25 0.05 -0.24 0.00 0.12 0.00 0.00 56.93 57.12 1k0h s PHE 8 Cb -0.03 -0.01 0.08 0.00 -0.57 0.00 0.00 43.02 42.49 1k0h s PHE 8 CO 0.20 -0.09 1.06 0.34 -0.10 0.00 0.00 175.22 176.62 1k0h s ASP 9 N -0.36 -0.05 0.00 1.36 -1.08 -1.26 -4.94 116.67 110.34 1k0h s ASP 9 Ca -0.04 -0.53 0.00 0.00 -0.52 0.00 0.00 52.55 51.46 1k0h s ASP 9 Cb -0.03 0.44 0.00 0.00 -1.46 0.00 0.00 42.92 41.88 1k0h s ASP 9 CO 0.00 -0.86 0.00 0.00 0.52 0.00 0.00 175.17 174.83 1k0h n ALA 10 N -0.63 0.00 -1.24 3.66 0.00 -1.26 -4.29 120.51 116.74 1k0h n ALA 10 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.16 1k0h n ALA 10 Cb 0.60 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.23 1k0h n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k0h n ALA 11 N 0.00 5.60 -3.58 0.00 0.00 -1.26 -4.93 120.51 116.34 1k0h n ALA 11 Ca 0.00 -2.92 -0.05 0.00 0.00 0.00 0.00 53.44 50.47 1k0h n ALA 11 Cb 0.00 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 17.99 1k0h n ALA 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1k0h s ILE 12 N -3.33 0.00 -0.07 0.00 2.07 -1.26 -5.10 121.20 113.50 1k0h s ILE 12 Ca 0.57 -0.08 -0.01 0.00 -1.41 0.00 0.00 60.65 59.72 1k0h s ILE 12 Cb 0.48 -1.20 0.00 0.00 0.13 0.00 0.00 42.46 41.88 1k0h s ILE 12 CO 0.11 0.00 0.02 0.00 -1.91 0.00 0.00 174.94 173.15 1k0h n ALA 13 N -0.22 -3.15 -0.12 1.50 0.00 -1.26 -4.70 120.51 112.56 1k0h n ALA 13 Ca -0.04 0.25 -0.25 0.00 0.00 0.00 0.00 53.44 53.39 1k0h n ALA 13 Cb 0.60 -0.49 -0.08 0.00 0.00 0.00 0.00 19.45 19.47 1k0h n ALA 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k0h n ARG 14 N 0.25 0.53 0.00 0.00 1.74 -1.26 -4.93 116.66 112.99 1k0h n ARG 14 Ca -0.03 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1k0h n ARG 14 Cb 0.04 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1k0h n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k0h n ALA 15 N -4.14 0.00 -3.71 7.54 0.00 -1.26 -5.13 120.51 113.81 1k0h n ALA 15 Ca -0.46 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.69 1k0h n ALA 15 Cb 0.82 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.11 1k0h n ALA 15 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1k0h s ASP 16 N 0.00 3.27 -0.30 0.00 2.15 -1.26 -5.10 116.67 115.44 1k0h s ASP 16 Ca 0.00 -1.08 -0.14 0.00 0.43 0.00 0.00 52.55 51.76 1k0h s ASP 16 Cb 0.00 -0.64 0.14 0.00 -0.30 0.00 0.00 42.92 42.12 1k0h s ASP 16 CO 0.00 -0.35 0.84 -0.70 -0.17 0.00 0.00 175.17 174.79 1k0h s GLU 17 N 1.82 0.45 -0.18 4.34 2.12 -1.26 -5.05 118.70 120.95 1k0h s GLU 17 Ca 0.03 1.03 -0.11 0.00 0.36 0.00 0.00 54.97 56.27 1k0h s GLU 17 Cb -0.17 0.50 0.04 0.00 0.26 0.00 0.00 34.13 34.76 1k0h s GLU 17 CO -0.16 -0.14 0.22 2.41 -0.54 0.00 0.00 175.26 177.06 1k0h n THR 18 N 4.86-12.20 0.11 -1.70 -1.04 -1.26 -4.89 114.28 98.16 1k0h n THR 18 Ca -0.13 2.56 0.12 0.00 -2.04 0.00 0.00 64.05 64.56 1k0h n THR 18 Cb 0.53 -6.37 0.00 0.00 -1.82 0.00 0.00 70.33 62.67 1k0h n THR 18 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 1k0h h ILE 19 N 3.73 0.00 -1.59 12.58 2.10 -2.03 -3.38 117.51 128.93 1k0h h ILE 19 Ca -0.51 -1.00 -0.60 0.00 1.08 0.00 0.00 64.86 63.84 1k0h h ILE 19 Cb 1.15 1.50 -0.42 0.00 -1.09 0.00 0.00 36.82 37.97 1k0h h ILE 19 CO 0.01 0.00 -0.67 -2.11 -1.08 0.00 0.00 178.15 174.30 1k0h n ARG 20 N -2.68 3.40 0.00 2.19 0.00 -1.26 -4.95 116.66 113.37 1k0h n ARG 20 Ca 0.00 -4.51 0.00 0.00 -0.00 0.00 0.00 57.85 53.34 1k0h n ARG 20 Cb 0.55 -2.25 0.00 0.00 -0.00 0.00 0.00 32.46 30.76 1k0h n ARG 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1k0h n GLY 21 N -0.46 1.86 1.20 2.89 0.00 -1.26 -5.16 105.19 104.25 1k0h n GLY 21 Ca 0.39 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1k0h n GLY 21 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1k0h n TYR 22 N 0.00 -3.21 0.00 1.61 4.01 -1.26 -4.98 117.16 113.33 1k0h n TYR 22 Ca 0.00 1.69 0.00 0.00 -0.16 0.00 0.00 57.90 59.43 1k0h n TYR 22 Cb 0.00 -2.89 0.00 0.00 -0.31 0.00 0.00 39.34 36.14 1k0h n TYR 22 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1k0h n MET 23 N -0.40 0.00 -2.55 -0.72 2.81 -1.26 -5.02 117.12 109.98 1k0h n MET 23 Ca 0.00 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.82 1k0h n MET 23 Cb 0.00 -0.44 0.03 0.00 -0.71 0.00 0.00 33.22 32.10 1k0h n MET 23 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1k0h n GLY 24 N 2.27 -0.50 3.82 3.03 0.00 -1.26 -5.01 105.19 107.54 1k0h n GLY 24 Ca 0.00 0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 1k0h n GLY 24 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1k0h s THR 25 N -3.18 5.03 -0.23 2.61 -1.32 -1.26 -5.07 115.64 112.22 1k0h s THR 25 Ca 0.21 0.86 -0.08 0.00 -1.21 0.00 0.00 61.69 61.48 1k0h s THR 25 Cb -0.03 -3.73 -0.03 0.00 -1.51 0.00 0.00 72.50 67.20 1k0h s THR 25 CO 0.46 0.55 0.08 -0.44 -2.21 0.00 0.00 174.62 173.05 1k0h s SER 26 N -0.86 5.33 0.05 8.08 0.01 -1.26 -2.93 113.70 122.11 1k0h s SER 26 Ca 0.24 -0.11 0.07 0.00 1.31 0.00 0.00 55.95 57.46 1k0h s SER 26 Cb -0.17 -1.95 -0.03 0.00 0.21 0.00 0.00 66.02 64.09 1k0h s SER 26 CO 0.13 0.03 -0.21 0.00 0.41 0.00 0.00 173.24 173.60 1k0h s ALA 27 N 1.26 1.75 -0.07 1.44 0.00 0.40 -3.65 121.76 122.88 1k0h s ALA 27 Ca 0.05 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.99 1k0h s ALA 27 Cb -0.15 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 1k0h s ALA 27 CO 0.04 0.38 -0.24 0.99 0.00 0.00 0.00 175.76 176.93 1k0h s THR 28 N -0.85 1.99 -0.24 0.00 2.01 0.50 0.22 115.64 119.27 1k0h s THR 28 Ca 0.07 -1.02 -0.09 0.00 0.31 0.00 0.00 61.69 60.97 1k0h s THR 28 Cb -0.09 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 1k0h s THR 28 CO 0.02 0.55 0.11 -0.63 -0.69 0.00 0.00 174.62 173.98 1k0h s ILE 29 N 0.01 4.74 -0.33 1.82 -1.09 0.25 0.51 121.20 127.11 1k0h s ILE 29 Ca -0.08 -0.03 0.01 0.00 -2.23 0.00 0.00 60.65 58.32 1k0h s ILE 29 Cb -0.15 -3.21 0.10 0.00 -1.58 0.00 0.00 42.46 37.62 1k0h s ILE 29 CO 0.05 0.34 0.09 0.28 -1.23 0.00 0.00 174.94 174.47 1k0h s THR 30 N 1.38 1.48 0.24 2.92 -1.32 0.59 -1.83 115.64 119.09 1k0h s THR 30 Ca 0.06 -1.85 0.10 0.00 -1.21 0.00 0.00 61.69 58.78 1k0h s THR 30 Cb -0.15 -2.11 -0.04 0.00 -1.51 0.00 0.00 72.50 68.69 1k0h s THR 30 CO 0.05 -0.66 -0.08 -0.94 -2.21 0.00 0.00 174.62 170.78 1k0h s SER 31 N 1.25 4.21 0.49 8.08 1.04 -1.26 -2.96 113.70 124.55 1k0h s SER 31 Ca 0.11 -0.71 0.31 0.00 0.48 0.00 0.00 55.95 56.13 1k0h s SER 31 Cb -0.18 -0.67 1.67 0.00 0.10 0.00 0.00 66.02 66.93 1k0h s SER 31 CO -0.17 0.05 1.93 1.23 0.98 0.00 0.00 173.24 177.26 1k0h h GLY 32 N 2.34 0.00 0.00 7.32 0.00 -1.98 -2.03 103.07 108.73 1k0h h GLY 32 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1k0h h GLY 32 CO 0.58 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.30 1k0h n GLU 33 N -2.62 0.00 -3.26 4.80 1.02 -1.26 -4.82 120.64 114.50 1k0h n GLU 33 Ca -0.02 0.29 -0.25 0.00 -0.02 0.00 0.00 57.16 57.16 1k0h n GLU 33 Cb 0.11 -0.77 -0.07 0.00 -0.02 0.00 0.00 31.44 30.69 1k0h n GLU 33 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1k0h n GLN 34 N -1.99 1.43 -1.48 3.49 6.02 -1.21 -5.11 117.38 118.53 1k0h n GLN 34 Ca 0.00 -3.78 -0.29 0.00 -0.01 0.00 0.00 57.00 52.92 1k0h n GLN 34 Cb 0.00 -1.63 0.12 0.00 1.02 0.00 0.00 30.24 29.75 1k0h n GLN 34 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1k0h s SER 35 N -1.77 3.88 0.00 1.08 1.04 -0.77 -4.51 113.70 112.65 1k0h s SER 35 Ca 0.37 1.19 0.00 0.00 0.48 0.00 0.00 55.95 58.00 1k0h s SER 35 Cb 0.18 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 64.44 1k0h s SER 35 CO -0.08 -2.35 0.00 0.61 0.98 0.00 0.00 173.24 172.41 1k0h n GLY 36 N -1.95 0.51 2.91 7.32 0.00 -0.76 -4.85 105.19 108.36 1k0h n GLY 36 Ca 0.07 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 1k0h n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k0h s ALA 37 N -1.96 0.63 -0.30 4.61 0.00 -0.95 -5.00 121.76 118.80 1k0h s ALA 37 Ca 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 51.96 51.74 1k0h s ALA 37 Cb 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1k0h s ALA 37 CO 0.00 0.03 0.21 0.54 0.00 0.00 0.00 175.76 176.55 1k0h s VAL 38 N 0.63 5.30 0.17 0.00 0.11 -1.26 0.85 120.40 126.20 1k0h s VAL 38 Ca -0.08 0.04 0.09 0.00 -2.93 0.00 0.00 61.98 59.10 1k0h s VAL 38 Cb -0.12 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.09 1k0h s VAL 38 CO 0.00 0.15 -0.20 0.27 -3.33 0.00 0.00 175.10 171.99 1k0h s ILE 39 N 1.76 1.97 -0.24 7.04 -5.25 0.59 -4.97 121.20 122.11 1k0h s ILE 39 Ca 0.07 -1.93 -0.10 0.00 -0.99 0.00 0.00 60.65 57.69 1k0h s ILE 39 Cb -0.16 -1.91 -0.05 0.00 2.95 0.00 0.00 42.46 43.29 1k0h s ILE 39 CO 0.11 -0.24 0.15 -0.60 -1.79 0.00 0.00 174.94 172.57 1k0h s ARG 40 N -2.71 4.06 -0.28 0.37 3.52 -1.26 0.15 118.95 122.80 1k0h s ARG 40 Ca 0.17 -0.27 -0.26 0.00 -0.13 0.00 0.00 55.73 55.23 1k0h s ARG 40 Cb -0.07 -3.51 0.18 0.00 -1.56 0.00 0.00 34.95 29.99 1k0h s ARG 40 CO 0.07 0.08 1.35 0.20 -0.81 0.00 0.00 175.30 176.19 1k0h s GLY 41 N 1.00 0.19 0.00 8.12 0.00 -1.15 -2.50 107.32 112.98 1k0h s GLY 41 Ca 0.07 3.16 0.00 0.00 0.00 0.00 0.00 44.72 47.95 1k0h s GLY 41 CO 0.04 1.65 0.00 -0.62 0.00 0.00 0.00 173.10 174.17 1k0h n VAL 42 N 1.31 0.00 -4.02 1.40 0.31 -1.16 -4.55 118.33 111.62 1k0h n VAL 42 Ca -0.08 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.94 1k0h n VAL 42 Cb 0.57 -0.04 -0.15 0.00 -0.91 0.00 0.00 33.84 33.31 1k0h n VAL 42 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1k0h s PHE 43 N 0.55 2.93 -0.17 3.52 2.19 -1.26 -3.62 117.98 122.12 1k0h s PHE 43 Ca 0.00 -2.10 -0.05 0.00 0.33 0.00 0.00 56.93 55.11 1k0h s PHE 43 Cb 0.00 -1.80 -0.03 0.00 -1.31 0.00 0.00 43.02 39.88 1k0h s PHE 43 CO 0.00 -0.84 -0.01 0.34 1.83 0.00 0.00 175.22 176.54 1k0h s ASP 44 N 1.21 4.98 -0.38 6.13 2.15 0.49 -4.94 116.67 126.31 1k0h s ASP 44 Ca -0.08 -0.09 -0.09 0.00 0.43 0.00 0.00 52.55 52.72 1k0h s ASP 44 Cb -0.19 -1.83 0.04 0.00 -0.30 0.00 0.00 42.92 40.64 1k0h s ASP 44 CO -0.06 0.16 0.19 -0.62 -0.17 0.00 0.00 175.17 174.68 1k0h s ASP 45 N 0.45 5.60 0.04 -0.34 -1.08 -1.26 0.02 116.67 120.10 1k0h s ASP 45 Ca -0.02 -1.17 -0.30 0.00 -0.52 0.00 0.00 52.55 50.54 1k0h s ASP 45 Cb -0.14 -1.97 -0.18 0.00 -1.46 0.00 0.00 42.92 39.17 1k0h s ASP 45 CO 0.02 -0.41 1.43 -0.65 0.52 0.00 0.00 175.17 176.08 1k0h h PRO 46 N 8.37 -0.82 0.00 4.34 0.11 -1.97 -3.11 132.00 138.93 1k0h h PRO 46 Ca -0.24 0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.85 1k0h h PRO 46 Cb 1.09 0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1k0h h PRO 46 CO 0.67 -0.51 -0.37 0.93 -0.21 0.00 0.00 178.00 178.51 1k0h h GLU 47 N -0.98 0.00 -4.31 1.05 5.08 -1.93 -3.47 114.58 110.02 1k0h h GLU 47 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1k0h h GLU 47 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1k0h h GLU 47 CO 0.14 0.37 -0.49 -1.71 -1.00 0.00 0.00 179.01 176.33 1k0h n ASN 48 N -3.46 -5.61 -4.82 1.42 2.85 -1.18 -4.97 115.26 99.49 1k0h n ASN 48 Ca 0.00 0.67 -0.32 0.00 -0.11 0.00 0.00 54.58 54.82 1k0h n ASN 48 Cb 0.53 -3.62 0.02 0.00 1.24 0.00 0.00 39.78 37.95 1k0h n ASN 48 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1k0h s ILE 49 N -1.34 4.10 -1.78 -1.44 1.01 -1.26 -3.61 121.20 116.87 1k0h s ILE 49 Ca 0.06 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.53 1k0h s ILE 49 Cb -0.02 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.96 1k0h s ILE 49 CO 0.47 -0.76 0.00 -1.20 0.00 0.00 0.00 174.94 173.45 1k0h n SER 50 N -2.52 -5.58 -4.76 3.58 7.64 -1.26 -4.98 113.62 105.73 1k0h n SER 50 Ca 0.08 0.10 -0.27 0.00 1.01 0.00 0.00 58.87 59.79 1k0h n SER 50 Cb 0.53 -4.66 -0.06 0.00 -1.01 0.00 0.00 64.21 59.01 1k0h n SER 50 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k0h s TYR 51 N -2.92 3.08 0.15 1.43 5.04 -1.24 -5.06 117.35 117.82 1k0h s TYR 51 Ca 0.00 -0.04 -0.34 0.00 -2.44 0.00 0.00 57.07 54.25 1k0h s TYR 51 Cb 0.00 -1.49 -0.15 0.00 0.35 0.00 0.00 41.96 40.67 1k0h s TYR 51 CO 0.00 0.52 1.43 0.00 -1.34 0.00 0.00 175.55 176.16 1k0h n ALA 52 N -0.19 0.34 -0.24 3.97 0.00 -1.26 -3.54 120.51 119.60 1k0h n ALA 52 Ca -0.09 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1k0h n ALA 52 Cb 0.54 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1k0h n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k0h n GLY 53 N 2.79 1.60 2.32 0.00 0.00 -1.26 -4.70 105.19 105.95 1k0h n GLY 53 Ca 0.16 0.20 -0.16 0.00 0.00 0.00 0.00 46.02 46.22 1k0h n GLY 53 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1k0h n GLN 54 N 0.00 -1.35 -1.65 1.61 7.27 -1.23 -4.90 117.38 117.13 1k0h n GLN 54 Ca 0.00 0.77 -0.32 0.00 0.07 0.00 0.00 57.00 57.52 1k0h n GLN 54 Cb 0.00 -5.16 -0.01 0.00 2.41 0.00 0.00 30.24 27.47 1k0h n GLN 54 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1k0h n GLY 55 N -1.02 4.85 3.10 1.69 0.00 -1.26 -4.90 105.19 107.64 1k0h n GLY 55 Ca -0.19 -2.12 -0.11 0.00 0.00 0.00 0.00 46.02 43.60 1k0h n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k0h s VAL 56 N -3.45 0.08 -0.33 1.61 0.11 -1.26 -5.13 120.40 112.03 1k0h s VAL 56 Ca 0.56 -0.66 0.01 0.00 -2.93 0.00 0.00 61.98 58.96 1k0h s VAL 56 Cb 0.41 -0.43 0.10 0.00 -1.53 0.00 0.00 36.38 34.93 1k0h s VAL 56 CO -0.30 -0.36 0.10 -0.13 -3.33 0.00 0.00 175.10 171.08 1k0h s ARG 57 N -1.33 1.01 -0.24 1.54 3.00 -1.26 -4.96 118.95 116.72 1k0h s ARG 57 Ca -0.14 -1.42 0.07 0.00 0.00 0.00 0.00 55.73 54.23 1k0h s ARG 57 Cb -0.07 -2.41 0.53 0.00 0.00 0.00 0.00 34.95 33.00 1k0h s ARG 57 CO 0.02 -0.99 1.50 1.55 0.00 0.00 0.00 175.30 177.38 1k0h n VAL 58 N 4.53 2.23 -3.36 3.52 3.14 -1.26 -4.88 118.33 122.25 1k0h n VAL 58 Ca 0.01 -1.15 -0.16 0.00 -2.96 0.00 0.00 64.34 60.07 1k0h n VAL 58 Cb 0.41 -0.47 0.08 0.00 -1.06 0.00 0.00 33.84 32.80 1k0h n VAL 58 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1k0h n GLU 59 N -0.06 -6.32 0.01 1.45 1.02 -1.26 -4.95 120.64 110.53 1k0h n GLU 59 Ca 0.30 0.80 -0.00 0.00 -0.02 0.00 0.00 57.16 58.23 1k0h n GLU 59 Cb 1.11 -5.67 -0.00 0.00 -0.02 0.00 0.00 31.44 26.86 1k0h n GLU 59 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k0h n GLY 60 N -1.18 0.01 2.14 0.62 0.00 -1.26 -4.98 105.19 100.54 1k0h n GLY 60 Ca -0.25 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 1k0h n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k0h n SER 61 N -2.86 -2.86 0.00 1.61 3.41 -1.26 -4.82 113.62 106.84 1k0h n SER 61 Ca -0.00 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1k0h n SER 61 Cb 0.02 -2.61 0.00 0.00 -0.26 0.00 0.00 64.21 61.36 1k0h n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1k0h n SER 62 N -1.02 0.00 -4.87 4.04 3.41 -1.26 -5.11 113.62 108.82 1k0h n SER 62 Ca -0.10 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.14 1k0h n SER 62 Cb 0.46 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.35 1k0h n SER 62 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1k0h s PRO 63 N -2.00 3.56 0.34 4.33 0.04 -1.26 -4.17 135.00 135.85 1k0h s PRO 63 Ca 0.00 0.01 0.08 0.00 0.04 0.00 0.00 61.00 61.13 1k0h s PRO 63 Cb 0.00 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 1k0h s PRO 63 CO 0.00 0.76 0.15 -1.54 0.04 0.00 0.00 177.00 176.41 1k0h s SER 64 N -1.03 4.69 -0.05 6.66 1.04 0.10 -1.34 113.70 123.77 1k0h s SER 64 Ca 0.17 -0.78 0.04 0.00 0.48 0.00 0.00 55.95 55.86 1k0h s SER 64 Cb -0.13 -0.72 -0.02 0.00 0.10 0.00 0.00 66.02 65.24 1k0h s SER 64 CO 0.06 -0.31 -0.15 -0.22 0.98 0.00 0.00 173.24 173.60 1k0h s LEU 65 N -3.86 2.69 -0.40 2.42 0.20 -0.46 0.18 118.68 119.46 1k0h s LEU 65 Ca 0.38 -0.22 -0.16 0.00 0.69 0.00 0.00 54.13 54.82 1k0h s LEU 65 Cb -0.02 -1.54 0.01 0.00 -0.43 0.00 0.00 46.19 44.21 1k0h s LEU 65 CO 0.23 0.34 0.38 0.12 -0.29 0.00 0.00 176.35 177.12 1k0h s PHE 66 N -0.67 3.20 0.30 5.38 5.36 -1.24 -4.70 117.98 125.62 1k0h s PHE 66 Ca 0.10 -0.37 0.06 0.00 -0.96 0.00 0.00 56.93 55.77 1k0h s PHE 66 Cb -0.11 -2.75 -0.02 0.00 -0.34 0.00 0.00 43.02 39.80 1k0h s PHE 66 CO 0.01 -0.61 0.41 0.54 -1.46 0.00 0.00 175.22 174.11 1k0h s VAL 67 N 1.97 4.40 0.17 3.12 0.11 -1.26 -2.96 120.40 125.96 1k0h s VAL 67 Ca 0.10 -1.04 -0.04 0.00 -2.93 0.00 0.00 61.98 58.07 1k0h s VAL 67 Cb -0.17 -3.53 -0.08 0.00 -1.53 0.00 0.00 36.38 31.07 1k0h s VAL 67 CO 0.12 -0.22 1.46 -0.09 -3.33 0.00 0.00 175.10 173.05 1k0h h ARG 68 N 1.02 0.57 0.00 1.54 9.65 -1.91 -3.47 114.38 121.79 1k0h h ARG 68 Ca -0.48 -0.39 0.00 0.00 -1.10 0.00 0.00 59.98 58.01 1k0h h ARG 68 Cb 1.25 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.89 1k0h h ARG 68 CO 0.56 1.01 0.00 0.25 2.80 0.00 0.00 179.97 184.59 1k0h n THR 69 N -3.93 0.00 -1.91 0.20 -2.24 -1.26 -5.07 114.28 100.07 1k0h n THR 69 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1k0h n THR 69 Cb 0.64 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1k0h n THR 69 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1k0h n ASP 70 N 0.00 0.00 -0.09 3.42 5.75 -1.26 -4.93 116.55 119.45 1k0h n ASP 70 Ca 0.00 -1.29 -0.09 0.00 -0.01 0.00 0.00 54.79 53.40 1k0h n ASP 70 Cb 0.00 -0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 40.01 1k0h n ASP 70 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1k0h h GLU 71 N 0.00 0.40 -0.88 0.11 4.81 -1.98 -1.50 114.58 115.55 1k0h h GLU 71 Ca 0.00 -0.05 0.24 0.00 -0.13 0.00 0.00 59.36 59.42 1k0h h GLU 71 Cb 1.12 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.37 1k0h h GLU 71 CO 0.00 0.35 0.61 -0.39 -0.73 0.00 0.00 179.01 178.85 1k0h h VAL 72 N 0.35 0.60 -0.55 0.32 -1.51 -1.95 1.18 116.25 114.70 1k0h h VAL 72 Ca 0.10 -0.05 0.07 0.00 -1.23 0.00 0.00 66.70 65.60 1k0h h VAL 72 Cb 0.06 0.46 -0.03 0.00 -2.13 0.00 0.00 31.29 29.64 1k0h h VAL 72 CO -0.02 0.02 0.37 -0.09 -1.23 0.00 0.00 177.57 176.62 1k0h h ARG 73 N 0.13 0.44 0.00 5.19 1.12 -1.65 0.34 114.38 119.97 1k0h h ARG 73 Ca 0.43 -0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 59.27 1k0h h ARG 73 Cb 1.50 -0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 31.36 1k0h h ARG 73 CO -0.07 0.29 -0.01 1.96 -3.11 0.00 0.00 179.97 179.04 1k0h h GLN 74 N 0.46 0.00 -3.95 0.20 4.20 0.14 -3.38 115.11 112.78 1k0h h GLN 74 Ca 0.24 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.63 1k0h h GLN 74 Cb 0.36 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.17 1k0h h GLN 74 CO -0.07 0.01 1.91 -0.11 -0.67 0.00 0.00 178.83 179.90 1k0h n LEU 75 N -3.10 2.78 -4.55 1.46 0.00 0.12 -4.90 117.00 108.81 1k0h n LEU 75 Ca 0.04 -2.13 -0.33 0.00 0.00 0.00 0.00 56.01 53.59 1k0h n LEU 75 Cb 0.50 -0.84 0.13 0.00 0.00 0.00 0.00 43.42 43.21 1k0h n LEU 75 CO 0.33 -0.42 0.33 0.54 0.00 0.00 0.00 177.39 178.17 1k0h n ARG 76 N 5.31 -0.17 -0.88 1.96 5.12 -1.26 -4.88 116.66 121.87 1k0h n ARG 76 Ca 0.31 0.01 -0.34 0.00 -1.93 0.00 0.00 57.85 55.90 1k0h n ARG 76 Cb 0.16 -2.13 0.09 0.00 -1.16 0.00 0.00 32.46 29.42 1k0h n ARG 76 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1k0h n ARG 77 N -2.65 -0.28 -2.95 5.56 0.63 -1.26 -3.48 116.66 112.23 1k0h n ARG 77 Ca 0.10 -0.06 -0.15 0.00 -0.92 0.00 0.00 57.85 56.82 1k0h n ARG 77 Cb 0.52 -1.46 0.04 0.00 0.45 0.00 0.00 32.46 32.00 1k0h n ARG 77 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1k0h n GLY 78 N 2.43 -0.06 3.02 5.14 0.00 -1.26 -5.02 105.19 109.43 1k0h n GLY 78 Ca 0.02 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 1k0h n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k0h s ASP 79 N -2.98 1.68 -0.13 1.61 1.01 -1.23 -4.70 116.67 111.92 1k0h s ASP 79 Ca 0.28 -0.28 -0.07 0.00 0.71 0.00 0.00 52.55 53.19 1k0h s ASP 79 Cb -0.12 -0.72 -0.04 0.00 1.01 0.00 0.00 42.92 43.05 1k0h s ASP 79 CO 0.34 0.04 0.13 -0.89 0.21 0.00 0.00 175.17 175.00 1k0h s THR 80 N 0.58 5.40 0.11 -1.27 2.01 -1.16 -2.40 115.64 118.91 1k0h s THR 80 Ca -0.12 0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.07 1k0h s THR 80 Cb -0.15 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1k0h s THR 80 CO 0.03 0.60 -0.08 -1.48 -0.69 0.00 0.00 174.62 173.00 1k0h s LEU 81 N -0.85 2.50 -0.08 4.42 2.34 0.13 -0.30 118.68 126.85 1k0h s LEU 81 Ca 0.14 -0.99 0.03 0.00 0.06 0.00 0.00 54.13 53.38 1k0h s LEU 81 Cb -0.12 -0.15 0.00 0.00 -0.56 0.00 0.00 46.19 45.36 1k0h s LEU 81 CO 0.03 -0.42 -0.18 0.42 -1.06 0.00 0.00 176.35 175.14 1k0h s THR 82 N -3.43 1.59 0.00 5.48 -4.23 0.18 0.19 115.64 115.42 1k0h s THR 82 Ca 0.12 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1k0h s THR 82 Cb 0.04 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.48 1k0h s THR 82 CO -0.03 0.46 0.00 0.00 -0.54 0.00 0.00 174.62 174.50 1k0h n ILE 83 N 3.57 0.00 0.05 2.99 3.06 -1.26 0.19 119.36 127.95 1k0h n ILE 83 Ca -0.20 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.00 1k0h n ILE 83 Cb 0.52 0.00 0.15 0.00 0.54 0.00 0.00 39.64 40.86 1k0h n ILE 83 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1k0h h GLY 84 N 0.00 0.42 -3.63 4.50 0.00 -1.93 -1.19 103.07 101.24 1k0h h GLY 84 Ca 0.00 -0.43 -0.26 0.00 0.00 0.00 0.00 47.33 46.64 1k0h h GLY 84 CO 0.00 0.39 0.31 1.18 0.00 0.00 0.00 176.54 178.42 1k0h n GLU 85 N -4.01 3.43 -3.06 4.80 4.71 -1.26 -4.90 120.64 120.35 1k0h n GLU 85 Ca -0.02 -3.08 -0.15 0.00 -0.01 0.00 0.00 57.16 53.90 1k0h n GLU 85 Cb 0.51 -2.19 -0.03 0.00 -1.01 0.00 0.00 31.44 28.72 1k0h n GLU 85 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1k0h n GLU 86 N -0.35 -2.00 -3.51 3.49 0.28 -0.45 -4.50 120.64 113.59 1k0h n GLU 86 Ca 0.43 0.05 -0.20 0.00 -0.16 0.00 0.00 57.16 57.28 1k0h n GLU 86 Cb 1.42 -4.14 -0.14 0.00 1.43 0.00 0.00 31.44 30.01 1k0h n GLU 86 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1k0h s ASN 87 N -2.28 1.66 0.02 -1.84 0.02 -1.26 -4.27 114.94 107.00 1k0h s ASN 87 Ca 0.29 -0.37 -0.01 0.00 -1.02 0.00 0.00 52.86 51.76 1k0h s ASN 87 Cb -0.17 0.24 -0.02 0.00 0.02 0.00 0.00 41.25 41.32 1k0h s ASN 87 CO 0.36 -0.34 -0.01 -0.36 0.02 0.00 0.00 177.10 176.77 1k0h s PHE 88 N 2.28 0.22 0.01 2.20 0.08 0.50 -4.07 117.98 119.21 1k0h s PHE 88 Ca 0.06 -0.46 0.03 0.00 0.12 0.00 0.00 56.93 56.68 1k0h s PHE 88 Cb -0.16 -0.17 -0.01 0.00 -0.57 0.00 0.00 43.02 42.11 1k0h s PHE 88 CO -0.13 -0.20 -0.09 -1.58 -0.10 0.00 0.00 175.22 173.12 1k0h s TRP 89 N -1.40 0.83 -0.54 0.36 0.51 0.42 0.23 118.94 119.35 1k0h s TRP 89 Ca -0.15 -0.24 -0.25 0.00 -2.12 0.00 0.00 56.10 53.34 1k0h s TRP 89 Cb -0.09 -0.52 0.04 0.00 -0.81 0.00 0.00 33.47 32.08 1k0h s TRP 89 CO -0.01 -0.01 0.97 0.08 -0.51 0.00 0.00 176.95 177.47 1k0h s VAL 90 N -0.51 4.36 -2.08 4.03 1.01 -1.01 0.14 120.40 126.34 1k0h s VAL 90 Ca 0.01 0.44 0.28 0.00 0.00 0.00 0.00 61.98 62.71 1k0h s VAL 90 Cb -0.05 -4.54 0.52 0.00 0.00 0.00 0.00 36.38 32.30 1k0h s VAL 90 CO 0.00 -1.09 1.80 -0.67 0.00 0.00 0.00 175.10 175.14 1k0h n ASP 91 N 7.53 0.96 -3.36 3.32 -0.08 0.46 -4.36 116.55 121.03 1k0h n ASP 91 Ca 0.03 -1.10 -0.31 0.00 -1.51 0.00 0.00 54.79 51.91 1k0h n ASP 91 Cb 0.48 0.01 0.03 0.00 2.34 0.00 0.00 41.12 43.98 1k0h n ASP 91 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1k0h n ARG 92 N -0.41 0.00 0.01 -0.67 5.12 -0.93 -4.76 116.66 115.02 1k0h n ARG 92 Ca 0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.09 1k0h n ARG 92 Cb 0.30 -0.84 0.00 0.00 -1.16 0.00 0.00 32.46 30.76 1k0h n ARG 92 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1k0h n VAL 93 N -2.42 0.06 -3.47 1.55 0.31 -1.26 -4.87 118.33 108.23 1k0h n VAL 93 Ca -0.02 0.02 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 1k0h n VAL 93 Cb 0.53 -0.95 0.01 0.00 -0.91 0.00 0.00 33.84 32.52 1k0h n VAL 93 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1k0h n SER 94 N -2.80 -6.16 0.20 4.52 3.41 -1.26 -4.88 113.62 106.65 1k0h n SER 94 Ca 0.00 -0.62 0.04 0.00 -0.26 0.00 0.00 58.87 58.04 1k0h n SER 94 Cb 0.20 -3.52 0.41 0.00 -0.26 0.00 0.00 64.21 61.04 1k0h n SER 94 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1k0h h PRO 95 N -0.33 0.00 0.00 4.33 0.11 -2.04 -3.47 132.00 130.60 1k0h h PRO 95 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1k0h h PRO 95 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1k0h h PRO 95 CO 0.36 0.33 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 1k0h n ASP 96 N -3.96 0.00 -4.77 -2.05 5.68 -1.26 -5.15 116.55 105.04 1k0h n ASP 96 Ca -0.02 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.89 1k0h n ASP 96 Cb 0.39 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.35 1k0h n ASP 96 CO 0.00 0.00 0.00 1.51 -1.33 0.00 0.00 177.20 177.38 1k0h s ASP 97 N 0.00 6.55 0.00 -1.12 1.47 -1.26 -4.72 116.67 117.59 1k0h s ASP 97 Ca 0.00 2.38 0.00 0.00 1.18 0.00 0.00 52.55 56.11 1k0h s ASP 97 Cb 0.00 -2.62 0.00 0.00 -0.34 0.00 0.00 42.92 39.96 1k0h s ASP 97 CO 0.00 -0.66 0.00 0.61 0.68 0.00 0.00 175.17 175.80 1k0h n GLY 98 N 0.67 -1.06 0.00 2.12 0.00 -1.26 -5.06 105.19 100.60 1k0h n GLY 98 Ca 0.04 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1k0h n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k0h n GLY 99 N 0.00 1.42 7.00 -0.02 0.00 -1.26 -5.04 105.19 107.29 1k0h n GLY 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1k0h n GLY 99 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k0h n SER 100 N 0.00 -4.06 -0.47 1.61 2.88 -1.26 -4.94 113.62 107.39 1k0h n SER 100 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1k0h n SER 100 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1k0h n SER 100 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k0h n HIS 102 N -3.71 0.00 -2.25 0.00 8.25 -1.26 -5.02 115.22 111.23 1k0h n HIS 102 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1k0h n HIS 102 Cb 0.52 0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.70 1k0h n HIS 102 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1k0h n LEU 103 N -2.77 -6.48 -4.62 2.41 -0.00 -1.26 -2.48 117.00 101.80 1k0h n LEU 103 Ca 0.00 3.15 -0.38 0.00 -0.00 0.00 0.00 56.01 58.78 1k0h n LEU 103 Cb 0.41 -3.26 -0.10 0.00 -0.00 0.00 0.00 43.42 40.47 1k0h n LEU 103 CO 0.00 -2.40 -0.14 0.86 -0.00 0.00 0.00 177.39 175.71 1k0h s TRP 104 N -0.57 3.27 0.37 1.47 -0.00 -1.26 -1.35 118.94 120.86 1k0h s TRP 104 Ca 0.00 0.21 -0.06 0.00 -0.00 0.00 0.00 56.10 56.25 1k0h s TRP 104 Cb 0.00 -2.36 -0.05 0.00 -0.00 0.00 0.00 33.47 31.06 1k0h s TRP 104 CO 0.00 -0.07 0.67 -0.51 -0.00 0.00 0.00 176.95 177.03 1k0h s LEU 105 N 1.50 3.89 -0.19 5.86 1.02 -0.45 0.18 118.68 130.48 1k0h s LEU 105 Ca 0.08 0.84 -0.02 0.00 0.02 0.00 0.00 54.13 55.05 1k0h s LEU 105 Cb -0.15 -3.71 0.06 0.00 0.02 0.00 0.00 46.19 42.41 1k0h s LEU 105 CO 0.08 -0.36 0.02 -0.83 0.02 0.00 0.00 176.35 175.29 1k0h s GLY 106 N -3.51 0.76 0.19 -3.19 0.00 0.38 -4.63 107.32 97.31 1k0h s GLY 106 Ca 0.46 -0.74 0.02 0.00 0.00 0.00 0.00 44.72 44.46 1k0h s GLY 106 CO 0.35 1.36 0.34 0.50 0.00 0.00 0.00 173.10 175.65 1k0h s ARG 107 N 1.81 3.46 -0.30 2.90 1.81 -1.26 0.16 118.95 127.53 1k0h s ARG 107 Ca -0.01 -0.55 0.19 0.00 -1.72 0.00 0.00 55.73 53.64 1k0h s ARG 107 Cb -0.17 -2.90 0.47 0.00 -0.45 0.00 0.00 34.95 31.89 1k0h s ARG 107 CO -0.08 0.46 1.19 0.41 -0.68 0.00 0.00 175.30 176.60 1k0h n GLY 108 N -0.80 1.74 2.72 -3.53 0.00 -1.26 -4.97 105.19 99.10 1k0h n GLY 108 Ca -0.07 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 1k0h n GLY 108 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1k0h n VAL 109 N -0.69 0.00 -2.05 1.61 3.14 -1.26 -4.91 118.33 114.16 1k0h n VAL 109 Ca 0.01 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.14 1k0h n VAL 109 Cb 0.83 -0.39 0.17 0.00 -1.06 0.00 0.00 33.84 33.38 1k0h n VAL 109 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1k0h n PRO 110 N 6.57 -0.89 -0.11 1.45 -0.04 -1.26 -5.00 135.00 135.72 1k0h n PRO 110 Ca 0.51 -2.07 -0.13 0.00 -0.04 0.00 0.00 63.50 61.76 1k0h n PRO 110 Cb 0.02 -1.09 -0.02 0.00 -0.04 0.00 0.00 33.50 32.37 1k0h n PRO 110 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1k0h h PRO 111 N 0.00 0.93 -6.13 0.54 0.11 -1.97 -3.40 132.00 122.08 1k0h h PRO 111 Ca -0.37 -0.50 -0.59 0.00 0.11 0.00 0.00 66.00 64.65 1k0h h PRO 111 Cb 1.11 0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.14 1k0h h PRO 111 CO 0.29 1.15 1.32 0.00 -0.21 0.00 0.00 178.00 180.56 1k0h s ALA 112 N -4.37 2.75 -0.02 -0.75 0.00 -1.26 -4.67 121.76 113.45 1k0h s ALA 112 Ca -0.11 -2.00 0.08 0.00 0.00 0.00 0.00 51.96 49.93 1k0h s ALA 112 Cb 0.11 -4.42 -0.12 0.00 0.00 0.00 0.00 23.12 18.69 1k0h s ALA 112 CO 0.88 -3.48 0.15 1.55 0.00 0.00 0.00 175.76 174.87 1k0h n VAL 113 N 6.67 0.07 -3.13 0.00 3.14 -1.26 -4.86 118.33 118.95 1k0h n VAL 113 Ca 0.23 -0.20 -0.02 0.00 -2.96 0.00 0.00 64.34 61.39 1k0h n VAL 113 Cb 0.50 0.17 0.00 0.00 -1.06 0.00 0.00 33.84 33.46 1k0h n VAL 113 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1k0h n ASN 114 N -1.84 -7.54 -4.55 6.55 3.02 -1.26 -4.79 115.26 104.85 1k0h n ASN 114 Ca -0.03 -0.16 -0.34 0.00 -0.03 0.00 0.00 54.58 54.02 1k0h n ASN 114 Cb 0.28 -5.02 -0.04 0.00 -0.61 0.00 0.00 39.78 34.39 1k0h n ASN 114 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1k0h s ARG 115 N -3.20 2.47 0.01 3.52 3.00 -1.26 -4.92 118.95 118.57 1k0h s ARG 115 Ca 0.01 0.49 -0.30 0.00 0.00 0.00 0.00 55.73 55.93 1k0h s ARG 115 Cb -0.00 -4.61 -0.08 0.00 0.00 0.00 0.00 34.95 30.26 1k0h s ARG 115 CO 0.76 -3.08 1.81 1.03 0.00 0.00 0.00 175.30 175.82 1k0h s ARG 116 N 7.33 4.16 0.00 3.54 1.81 -1.26 -5.31 118.95 129.22 1k0h s ARG 116 Ca 0.74 2.42 0.00 0.00 -1.72 0.00 0.00 55.73 57.17 1k0h s ARG 116 Cb -0.12 -4.00 0.00 0.00 -0.45 0.00 0.00 34.95 30.39 1k0h s ARG 116 CO 0.15 -0.88 0.00 2.89 -0.68 0.00 0.00 175.30 176.78