#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 -2.88 3.04 0.00 -1.26 -4.60 120.51 114.81 1k0h n ALA 2 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1k0h n ALA 2 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1k0h n ALA 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1k0h n ASP 3 N 1.86 -2.95 -0.06 0.00 -0.08 -1.26 -4.96 116.55 109.09 1k0h n ASP 3 Ca 0.00 -0.31 -0.08 0.00 -1.51 0.00 0.00 54.79 52.90 1k0h n ASP 3 Cb 0.00 -2.90 -0.08 0.00 2.34 0.00 0.00 41.12 40.48 1k0h n ASP 3 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1k0h n PHE 4 N -3.11 0.00 -2.78 -0.67 3.01 -1.26 -4.70 117.46 107.95 1k0h n PHE 4 Ca -0.09 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.01 1k0h n PHE 4 Cb 0.57 -0.56 -0.00 0.00 -0.01 0.00 0.00 39.48 39.48 1k0h n PHE 4 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1k0h n ASP 5 N -2.67 6.28 -3.47 4.37 5.75 -1.26 -4.91 116.55 120.63 1k0h n ASP 5 Ca -0.22 -3.67 -0.40 0.00 -0.01 0.00 0.00 54.79 50.49 1k0h n ASP 5 Cb 0.82 -0.96 -0.02 0.00 -1.03 0.00 0.00 41.12 39.93 1k0h n ASP 5 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1k0h n ASN 6 N -0.03 7.35 0.02 -1.12 4.13 -1.26 -4.20 115.26 120.15 1k0h n ASN 6 Ca 0.40 -2.78 -0.00 0.00 1.68 0.00 0.00 54.58 53.88 1k0h n ASN 6 Cb 0.31 -1.53 -0.00 0.00 -1.54 0.00 0.00 39.78 37.02 1k0h n ASN 6 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1k0h n LEU 7 N 3.75 0.52 -2.18 3.41 4.77 -1.26 -5.14 117.00 120.87 1k0h n LEU 7 Ca 0.67 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 1k0h n LEU 7 Cb 0.28 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1k0h n LEU 7 CO 0.83 -0.35 -0.49 0.49 -1.33 0.00 0.00 177.39 176.54 1k0h n PHE 8 N -3.23 -5.11 0.01 -1.77 3.01 -1.26 -5.04 117.46 104.07 1k0h n PHE 8 Ca -0.00 3.07 0.00 0.00 1.01 0.00 0.00 57.45 61.53 1k0h n PHE 8 Cb 0.27 -3.77 0.00 0.00 -0.01 0.00 0.00 39.48 35.97 1k0h n PHE 8 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1k0h n ASP 9 N 1.97 0.10 0.01 4.37 2.03 -1.23 -5.07 116.55 118.72 1k0h n ASP 9 Ca 0.00 0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1k0h n ASP 9 Cb 0.00 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 1k0h n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k0h n ALA 10 N -2.92 0.00 -2.32 -1.67 0.00 -1.26 -4.99 120.51 107.36 1k0h n ALA 10 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1k0h n ALA 10 Cb 0.27 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.72 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 -2.35 5.08 -3.64 0.00 0.00 -1.26 -5.02 120.51 113.32 1k0h n ALA 11 Ca 0.00 -4.14 -0.01 0.00 0.00 0.00 0.00 53.44 49.28 1k0h n ALA 11 Cb 0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 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 -5.22 0.00 -0.82 0.00 2.07 -1.26 -4.99 121.20 110.98 1k0h s ILE 12 Ca 0.49 -0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.73 1k0h s ILE 12 Cb 0.40 -1.12 0.00 0.00 0.13 0.00 0.00 42.46 41.87 1k0h s ILE 12 CO -0.12 0.00 0.00 0.00 -1.91 0.00 0.00 174.94 172.91 1k0h n ALA 13 N -0.06 -0.17 -1.34 1.50 0.00 -1.26 -3.53 120.51 115.65 1k0h n ALA 13 Ca 0.04 0.11 -0.03 0.00 0.00 0.00 0.00 53.44 53.56 1k0h n ALA 13 Cb 0.57 -1.14 0.21 0.00 0.00 0.00 0.00 19.45 19.09 1k0h n ALA 13 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1k0h n ARG 14 N -2.41 2.11 -1.01 0.00 0.63 -1.26 -4.05 116.66 110.66 1k0h n ARG 14 Ca -0.09 -3.10 0.14 0.00 -0.92 0.00 0.00 57.85 53.88 1k0h n ARG 14 Cb 0.38 -1.86 -0.03 0.00 0.45 0.00 0.00 32.46 31.40 1k0h n ARG 14 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1k0h n ALA 15 N -1.00 -3.05 -3.71 5.13 0.00 -1.26 -5.04 120.51 111.58 1k0h n ALA 15 Ca 0.33 0.31 0.03 0.00 0.00 0.00 0.00 53.44 54.12 1k0h n ALA 15 Cb 1.07 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1k0h n ALA 15 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1k0h s ASP 16 N -5.54 -0.01 -0.32 0.00 1.47 -1.26 -5.05 116.67 105.96 1k0h s ASP 16 Ca 0.00 -0.06 0.08 0.00 1.18 0.00 0.00 52.55 53.76 1k0h s ASP 16 Cb 0.00 0.05 0.46 0.00 -0.34 0.00 0.00 42.92 43.09 1k0h s ASP 16 CO 0.00 -0.10 1.16 1.21 0.68 0.00 0.00 175.17 178.11 1k0h n GLU 17 N -0.64 3.32 -2.88 2.11 2.13 -1.26 -5.02 120.64 118.40 1k0h n GLU 17 Ca -0.05 -4.16 -0.01 0.00 0.66 0.00 0.00 57.16 53.61 1k0h n GLU 17 Cb 0.62 -2.18 -0.00 0.00 0.27 0.00 0.00 31.44 30.15 1k0h n GLU 17 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1k0h n THR 18 N -0.62 -8.32 -1.65 6.31 -1.04 -1.26 -4.81 114.28 102.89 1k0h n THR 18 Ca 0.38 1.41 -0.33 0.00 -2.04 0.00 0.00 64.05 63.47 1k0h n THR 18 Cb 0.88 -5.40 -0.04 0.00 -1.82 0.00 0.00 70.33 63.94 1k0h n THR 18 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1k0h n ILE 19 N 1.08 4.34 -1.47 12.58 5.41 -1.26 -4.51 119.36 135.52 1k0h n ILE 19 Ca -0.04 -3.41 -0.15 0.00 1.00 0.00 0.00 62.75 60.16 1k0h n ILE 19 Cb 0.22 -2.01 0.16 0.00 -0.71 0.00 0.00 39.64 37.30 1k0h n ILE 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1k0h n ARG 20 N 1.82 2.23 -1.89 0.38 3.00 -1.26 -4.97 116.66 115.97 1k0h n ARG 20 Ca 0.59 -3.30 -0.27 0.00 -0.00 0.00 0.00 57.85 54.88 1k0h n ARG 20 Cb 0.40 -2.00 -0.05 0.00 0.00 0.00 0.00 32.46 30.81 1k0h n ARG 20 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1k0h s GLY 21 N -2.35 -0.10 1.26 5.14 0.00 -1.26 -4.95 107.32 105.06 1k0h s GLY 21 Ca 0.50 -1.06 -0.16 0.00 0.00 0.00 0.00 44.72 44.00 1k0h s GLY 21 CO 0.02 3.70 0.90 -1.72 0.00 0.00 0.00 173.10 176.00 1k0h n TYR 22 N 15.01 -2.00 0.00 1.90 4.01 -1.26 -4.99 117.16 129.83 1k0h n TYR 22 Ca 0.38 -0.32 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1k0h n TYR 22 Cb 0.48 -1.59 0.00 0.00 -0.31 0.00 0.00 39.34 37.92 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 -4.99 0.00 -3.88 -0.72 2.81 -1.26 -4.90 117.12 104.18 1k0h n MET 23 Ca 0.05 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.68 1k0h n MET 23 Cb 0.56 -0.83 0.00 0.00 -0.71 0.00 0.00 33.22 32.24 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 0.03 -0.30 3.82 3.03 0.00 -1.26 -4.94 105.19 105.57 1k0h n GLY 24 Ca 0.00 0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.72 5.03 -0.15 2.61 -1.32 -1.26 -5.08 115.64 111.76 1k0h s THR 25 Ca 0.14 0.87 0.02 0.00 -1.21 0.00 0.00 61.69 61.52 1k0h s THR 25 Cb -0.07 -3.74 0.01 0.00 -1.51 0.00 0.00 72.50 67.19 1k0h s THR 25 CO 0.86 0.54 -0.20 -0.44 -2.21 0.00 0.00 174.62 173.17 1k0h s SER 26 N -0.83 3.27 -0.02 8.08 0.01 -1.26 -3.12 113.70 119.82 1k0h s SER 26 Ca 0.24 -0.57 0.06 0.00 1.31 0.00 0.00 55.95 56.99 1k0h s SER 26 Cb -0.17 -1.48 -0.01 0.00 0.21 0.00 0.00 66.02 64.57 1k0h s SER 26 CO 0.13 0.08 -0.19 0.00 0.41 0.00 0.00 173.24 173.67 1k0h s ALA 27 N 0.83 1.63 -0.09 1.44 0.00 0.16 -3.40 121.76 122.33 1k0h s ALA 27 Ca -0.06 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.11 1k0h s ALA 27 Cb -0.15 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1k0h s ALA 27 CO -0.02 0.37 -0.17 0.99 0.00 0.00 0.00 175.76 176.94 1k0h s THR 28 N -0.34 2.74 -0.19 0.00 2.01 0.54 0.18 115.64 120.58 1k0h s THR 28 Ca 0.05 -0.80 -0.10 0.00 0.31 0.00 0.00 61.69 61.15 1k0h s THR 28 Cb -0.09 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 1k0h s THR 28 CO 0.00 0.56 0.14 -0.63 -0.69 0.00 0.00 174.62 174.00 1k0h s ILE 29 N -0.06 5.42 -0.30 1.82 -1.09 0.42 0.69 121.20 128.10 1k0h s ILE 29 Ca -0.04 0.21 -0.03 0.00 -2.23 0.00 0.00 60.65 58.57 1k0h s ILE 29 Cb -0.14 -3.47 0.10 0.00 -1.58 0.00 0.00 42.46 37.38 1k0h s ILE 29 CO 0.04 0.47 0.13 0.28 -1.23 0.00 0.00 174.94 174.63 1k0h s THR 30 N 0.14 0.26 0.25 2.92 -1.32 -0.22 -1.88 115.64 115.80 1k0h s THR 30 Ca 0.10 -1.07 0.08 0.00 -1.21 0.00 0.00 61.69 59.58 1k0h s THR 30 Cb -0.11 -1.22 -0.04 0.00 -1.51 0.00 0.00 72.50 69.62 1k0h s THR 30 CO -0.01 -0.74 0.13 -0.44 -2.21 0.00 0.00 174.62 171.35 1k0h s SER 31 N 1.83 5.21 0.24 8.08 0.01 -1.26 -3.22 113.70 124.60 1k0h s SER 31 Ca 0.10 -0.37 -0.04 0.00 1.31 0.00 0.00 55.95 56.96 1k0h s SER 31 Cb -0.17 -1.23 0.42 0.00 0.21 0.00 0.00 66.02 65.25 1k0h s SER 31 CO -0.30 -0.02 1.78 1.23 0.41 0.00 0.00 173.24 176.35 1k0h h GLY 32 N 1.69 1.23 0.00 3.44 0.00 -1.97 -1.61 103.07 105.85 1k0h h GLY 32 Ca -0.47 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1k0h h GLY 32 CO 0.61 0.04 0.00 -2.21 0.00 0.00 0.00 176.54 174.98 1k0h n GLU 33 N -4.84 0.00 -3.38 4.80 2.13 -1.26 -4.59 120.64 113.51 1k0h n GLU 33 Ca 0.14 0.29 -0.26 0.00 0.66 0.00 0.00 57.16 57.99 1k0h n GLU 33 Cb 0.33 -1.22 -0.09 0.00 0.27 0.00 0.00 31.44 30.73 1k0h n GLU 33 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1k0h n GLN 34 N -1.26 0.51 -2.39 5.31 7.27 -1.22 -5.10 117.38 120.50 1k0h n GLN 34 Ca 0.00 -3.33 -0.42 0.00 0.07 0.00 0.00 57.00 53.32 1k0h n GLN 34 Cb 0.00 -1.62 -0.03 0.00 2.41 0.00 0.00 30.24 31.01 1k0h n GLN 34 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1k0h s SER 35 N -0.45 6.97 0.00 1.69 1.04 -0.61 -4.53 113.70 117.81 1k0h s SER 35 Ca 0.33 1.84 0.00 0.00 0.48 0.00 0.00 55.95 58.61 1k0h s SER 35 Cb 0.07 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.64 1k0h s SER 35 CO -0.17 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1k0h n GLY 36 N 3.51 0.00 2.86 7.32 0.00 -0.79 -4.84 105.19 113.26 1k0h n GLY 36 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.75 -0.26 4.61 0.00 -0.92 -5.00 121.76 120.94 1k0h s ALA 37 Ca 0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 51.73 1k0h s ALA 37 Cb 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 1k0h s ALA 37 CO 0.00 -0.17 0.19 0.54 0.00 0.00 0.00 175.76 176.32 1k0h s VAL 38 N 1.27 5.33 0.22 0.00 0.11 -1.26 0.16 120.40 126.22 1k0h s VAL 38 Ca -0.05 0.20 0.10 0.00 -2.93 0.00 0.00 61.98 59.30 1k0h s VAL 38 Cb -0.14 -3.53 -0.05 0.00 -1.53 0.00 0.00 36.38 31.14 1k0h s VAL 38 CO -0.02 0.30 -0.20 0.27 -3.33 0.00 0.00 175.10 172.11 1k0h s ILE 39 N 1.39 2.19 -0.10 7.04 -5.25 0.47 -4.97 121.20 121.97 1k0h s ILE 39 Ca 0.08 -2.15 -0.08 0.00 -0.99 0.00 0.00 60.65 57.51 1k0h s ILE 39 Cb -0.15 -2.10 -0.04 0.00 2.95 0.00 0.00 42.46 43.12 1k0h s ILE 39 CO 0.07 -0.31 0.18 -0.60 -1.79 0.00 0.00 174.94 172.49 1k0h s ARG 40 N -3.08 3.51 0.00 0.37 3.52 -1.26 0.37 118.95 122.37 1k0h s ARG 40 Ca 0.23 -0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 1k0h s ARG 40 Cb -0.06 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 1k0h s ARG 40 CO 0.10 0.76 0.00 0.41 -0.81 0.00 0.00 175.30 175.76 1k0h n GLY 41 N 1.89 3.52 3.65 8.12 0.00 -1.18 -3.59 105.19 117.60 1k0h n GLY 41 Ca -0.19 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 1k0h n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k0h s VAL 42 N -2.00 0.87 0.08 1.61 1.01 -1.09 -4.45 120.40 116.43 1k0h s VAL 42 Ca 0.00 -2.00 -0.18 0.00 0.00 0.00 0.00 61.98 59.80 1k0h s VAL 42 Cb 0.00 -2.22 -0.07 0.00 0.00 0.00 0.00 36.38 34.09 1k0h s VAL 42 CO 0.00 0.00 0.56 0.12 0.00 0.00 0.00 175.10 175.78 1k0h s PHE 43 N -3.02 3.77 -0.01 5.22 2.19 -1.26 -1.58 117.98 123.28 1k0h s PHE 43 Ca 0.13 1.23 0.05 0.00 0.33 0.00 0.00 56.93 58.67 1k0h s PHE 43 Cb 0.02 -2.47 -0.01 0.00 -1.31 0.00 0.00 43.02 39.25 1k0h s PHE 43 CO 0.08 0.57 -0.16 0.34 1.83 0.00 0.00 175.22 177.88 1k0h s ASP 44 N -1.20 1.90 -0.31 6.13 2.15 0.43 -4.93 116.67 120.84 1k0h s ASP 44 Ca 0.30 -0.29 0.00 0.00 0.43 0.00 0.00 52.55 52.99 1k0h s ASP 44 Cb -0.19 -0.24 0.07 0.00 -0.30 0.00 0.00 42.92 42.27 1k0h s ASP 44 CO 0.19 0.19 0.01 1.51 -0.17 0.00 0.00 175.17 176.90 1k0h s ASP 45 N -0.34 4.81 0.17 -0.34 1.47 -1.26 -1.09 116.67 120.08 1k0h s ASP 45 Ca 0.05 -1.56 -0.07 0.00 1.18 0.00 0.00 52.55 52.16 1k0h s ASP 45 Cb -0.07 -1.67 0.05 0.00 -0.34 0.00 0.00 42.92 40.89 1k0h s ASP 45 CO -0.00 -0.30 1.51 -0.65 0.68 0.00 0.00 175.17 176.40 1k0h h PRO 46 N 7.88 0.78 -1.64 2.11 0.11 -1.97 -3.24 132.00 136.03 1k0h h PRO 46 Ca -0.17 -0.42 -0.69 0.00 0.11 0.00 0.00 66.00 64.83 1k0h h PRO 46 Cb 1.05 0.02 -0.33 0.00 0.11 0.00 0.00 31.00 31.85 1k0h h PRO 46 CO 0.53 1.05 0.35 -1.91 -0.21 0.00 0.00 178.00 177.82 1k0h n GLU 47 N -4.03 3.02 -1.99 1.05 4.07 -1.26 -4.90 120.64 116.60 1k0h n GLU 47 Ca -0.02 -3.85 -0.38 0.00 -0.06 0.00 0.00 57.16 52.85 1k0h n GLU 47 Cb 0.55 -2.27 0.02 0.00 -0.06 0.00 0.00 31.44 29.68 1k0h n GLU 47 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1k0h s ASN 48 N -2.11 5.77 0.32 4.31 2.47 -1.23 -4.99 114.94 119.49 1k0h s ASN 48 Ca 0.52 2.60 -0.26 0.00 0.42 0.00 0.00 52.86 56.14 1k0h s ASN 48 Cb 0.43 -2.63 -0.10 0.00 -1.45 0.00 0.00 41.25 37.51 1k0h s ASN 48 CO -0.27 -1.21 0.96 -0.51 -3.72 0.00 0.00 177.10 172.35 1k0h s ILE 49 N -1.37 4.13 -1.91 -5.21 2.07 -1.26 -3.43 121.20 114.22 1k0h s ILE 49 Ca 0.66 1.80 0.00 0.00 -1.41 0.00 0.00 60.65 61.69 1k0h s ILE 49 Cb -0.36 -4.01 0.00 0.00 0.13 0.00 0.00 42.46 38.22 1k0h s ILE 49 CO 0.44 0.17 0.00 -0.24 -1.91 0.00 0.00 174.94 173.40 1k0h n SER 50 N 0.61 -5.80 -3.28 4.50 2.88 -1.26 -4.82 113.62 106.45 1k0h n SER 50 Ca 0.02 0.14 -0.25 0.00 -1.33 0.00 0.00 58.87 57.45 1k0h n SER 50 Cb 0.50 -4.91 -0.03 0.00 -0.75 0.00 0.00 64.21 59.02 1k0h n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k0h n TYR 51 N -3.53 1.17 0.00 0.66 9.36 -1.22 -4.66 117.16 118.93 1k0h n TYR 51 Ca -0.24 -1.58 0.00 0.00 3.32 0.00 0.00 57.90 59.40 1k0h n TYR 51 Cb 0.69 -1.44 0.00 0.00 -0.63 0.00 0.00 39.34 37.96 1k0h n TYR 51 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1k0h n ALA 52 N 5.45 0.00 0.04 2.98 0.00 -1.26 -3.86 120.51 123.86 1k0h n ALA 52 Ca 0.38 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.74 1k0h n ALA 52 Cb 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.59 1k0h n ALA 52 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1k0h h GLY 53 N 0.00 -0.21 -2.13 0.00 0.00 -1.99 -3.50 103.07 95.23 1k0h h GLY 53 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1k0h h GLY 53 CO 0.00 -0.08 -0.51 -0.18 0.00 0.00 0.00 176.54 175.77 1k0h n GLN 54 N -4.89 -2.66 -2.60 4.80 7.27 -1.25 -4.88 117.38 113.16 1k0h n GLN 54 Ca -0.06 1.96 -0.07 0.00 0.07 0.00 0.00 57.00 58.91 1k0h n GLN 54 Cb 0.21 -2.19 0.02 0.00 2.41 0.00 0.00 30.24 30.69 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 -0.59 0.39 2.61 1.69 0.00 -1.26 -5.03 105.19 102.99 1k0h n GLY 55 Ca 0.00 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 1k0h n GLY 55 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k0h s VAL 56 N -2.85 -0.13 -0.69 1.61 -7.23 -1.26 -5.10 120.40 104.75 1k0h s VAL 56 Ca 0.12 -0.43 -0.23 0.00 -1.81 0.00 0.00 61.98 59.62 1k0h s VAL 56 Cb -0.05 -0.79 0.06 0.00 0.56 0.00 0.00 36.38 36.16 1k0h s VAL 56 CO 0.15 -0.48 1.04 -0.13 -0.31 0.00 0.00 175.10 175.37 1k0h s ARG 57 N 2.16 3.15 -0.46 4.82 1.81 -1.26 -4.88 118.95 124.30 1k0h s ARG 57 Ca 0.06 -0.74 -0.00 0.00 -1.72 0.00 0.00 55.73 53.32 1k0h s ARG 57 Cb -0.16 -4.26 0.37 0.00 -0.45 0.00 0.00 34.95 30.46 1k0h s ARG 57 CO -0.23 -1.89 1.95 1.55 -0.68 0.00 0.00 175.30 175.99 1k0h n VAL 58 N 6.02 3.07 -1.88 3.52 3.14 -1.26 -4.83 118.33 126.11 1k0h n VAL 58 Ca -0.01 -2.08 -0.00 0.00 -2.96 0.00 0.00 64.34 59.28 1k0h n VAL 58 Cb 0.46 -1.09 0.00 0.00 -1.06 0.00 0.00 33.84 32.15 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 -0.39 -0.38 -4.25 1.45 1.02 -1.26 -5.08 120.64 111.74 1k0h n GLU 59 Ca 0.46 0.78 -0.14 0.00 -0.02 0.00 0.00 57.16 58.24 1k0h n GLU 59 Cb 0.80 -2.57 -0.10 0.00 -0.02 0.00 0.00 31.44 29.55 1k0h n GLU 59 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1k0h s GLY 60 N -2.11 1.21 0.00 0.62 0.00 -1.26 -4.96 107.32 100.81 1k0h s GLY 60 Ca 0.01 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.15 1k0h s GLY 60 CO 0.19 -1.56 0.00 1.44 0.00 0.00 0.00 173.10 173.17 1k0h n SER 61 N -0.25 0.00 -4.40 1.64 7.64 -1.26 -4.94 113.62 112.06 1k0h n SER 61 Ca -0.07 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.61 1k0h n SER 61 Cb 0.63 0.11 -0.10 0.00 -1.01 0.00 0.00 64.21 63.84 1k0h n SER 61 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1k0h s SER 62 N -1.46 1.89 -0.12 6.43 1.04 -1.26 -5.00 113.70 115.22 1k0h s SER 62 Ca 0.00 -1.38 -0.09 0.00 0.48 0.00 0.00 55.95 54.96 1k0h s SER 62 Cb 0.00 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 1k0h s SER 62 CO 0.00 -0.66 0.18 -2.16 0.98 0.00 0.00 173.24 171.58 1k0h s PRO 63 N -3.95 3.65 0.33 4.02 0.04 -1.26 -4.34 135.00 133.50 1k0h s PRO 63 Ca 0.37 -0.07 0.08 0.00 0.04 0.00 0.00 61.00 61.42 1k0h s PRO 63 Cb 0.08 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 1k0h s PRO 63 CO 0.15 0.67 0.26 -1.54 0.04 0.00 0.00 177.00 176.58 1k0h s SER 64 N -0.75 5.19 -0.05 6.66 1.04 -0.25 0.22 113.70 125.78 1k0h s SER 64 Ca 0.15 -0.53 0.04 0.00 0.48 0.00 0.00 55.95 56.10 1k0h s SER 64 Cb -0.12 -0.95 -0.02 0.00 0.10 0.00 0.00 66.02 65.02 1k0h s SER 64 CO 0.04 -0.32 -0.17 -0.22 0.98 0.00 0.00 173.24 173.55 1k0h s LEU 65 N -3.96 2.59 -0.25 2.42 2.96 0.43 0.16 118.68 123.04 1k0h s LEU 65 Ca 0.40 -0.25 -0.17 0.00 -0.22 0.00 0.00 54.13 53.89 1k0h s LEU 65 Cb -0.05 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 1k0h s LEU 65 CO 0.26 0.34 0.45 -0.36 -1.32 0.00 0.00 176.35 175.71 1k0h s PHE 66 N -0.68 3.28 0.26 5.38 0.08 -0.62 -4.36 117.98 121.32 1k0h s PHE 66 Ca 0.11 0.56 0.11 0.00 0.12 0.00 0.00 56.93 57.82 1k0h s PHE 66 Cb -0.11 -2.63 -0.05 0.00 -0.57 0.00 0.00 43.02 39.66 1k0h s PHE 66 CO 0.00 -0.21 -0.18 0.54 -0.10 0.00 0.00 175.22 175.28 1k0h s VAL 67 N 2.03 2.23 -0.45 -0.44 0.11 -1.26 -2.69 120.40 119.93 1k0h s VAL 67 Ca 0.19 -2.34 0.09 0.00 -2.93 0.00 0.00 61.98 56.99 1k0h s VAL 67 Cb -0.16 -2.23 0.30 0.00 -1.53 0.00 0.00 36.38 32.76 1k0h s VAL 67 CO 0.09 -0.46 0.68 0.54 -3.33 0.00 0.00 175.10 172.63 1k0h n ARG 68 N -0.55 1.40 0.00 1.54 3.00 -1.24 -5.03 116.66 115.79 1k0h n ARG 68 Ca -0.06 -3.71 0.00 0.00 -0.01 0.00 0.00 57.85 54.07 1k0h n ARG 68 Cb 0.60 -1.67 0.00 0.00 0.00 0.00 0.00 32.46 31.39 1k0h n ARG 68 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1k0h n THR 69 N 0.72 0.00 -0.52 0.55 5.66 -1.26 -4.90 114.28 114.53 1k0h n THR 69 Ca 0.25 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 61.05 1k0h n THR 69 Cb 0.54 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.29 1k0h n THR 69 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1k0h n ASP 70 N 0.00 2.59 0.00 1.09 5.75 -1.26 -3.43 116.55 121.30 1k0h n ASP 70 Ca 0.00 -2.28 0.00 0.00 -0.01 0.00 0.00 54.79 52.50 1k0h n ASP 70 Cb 0.00 -0.84 0.00 0.00 -1.03 0.00 0.00 41.12 39.25 1k0h n ASP 70 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1k0h n GLU 71 N 5.20 0.00 0.12 0.11 1.02 -1.26 -4.69 120.64 121.14 1k0h n GLU 71 Ca 0.30 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.58 1k0h n GLU 71 Cb 0.15 -0.55 0.65 0.00 -0.02 0.00 0.00 31.44 31.67 1k0h n GLU 71 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1k0h h VAL 72 N 0.00 0.88 -0.29 2.62 -1.51 -1.96 0.00 116.25 116.00 1k0h h VAL 72 Ca 0.00 -0.01 0.04 0.00 -1.23 0.00 0.00 66.70 65.50 1k0h h VAL 72 Cb 0.68 0.85 -0.04 0.00 -2.13 0.00 0.00 31.29 30.65 1k0h h VAL 72 CO 0.00 0.01 0.06 -0.09 -1.23 0.00 0.00 177.57 176.32 1k0h h ARG 73 N 0.03 0.17 0.00 5.19 1.12 -1.84 0.25 114.38 119.30 1k0h h ARG 73 Ca 0.13 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.99 1k0h h ARG 73 Cb 0.46 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.38 1k0h h ARG 73 CO -0.01 0.11 0.00 1.96 -3.11 0.00 0.00 179.97 178.92 1k0h h GLN 74 N 0.17 0.00 -3.97 0.20 4.20 -1.29 -3.33 115.11 111.09 1k0h h GLN 74 Ca 0.14 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.48 1k0h h GLN 74 Cb 0.14 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.95 1k0h h GLN 74 CO -0.18 0.00 2.01 -0.11 -0.67 0.00 0.00 178.83 179.89 1k0h n LEU 75 N -3.05 3.11 -4.50 1.46 0.00 0.88 -4.90 117.00 110.01 1k0h n LEU 75 Ca -0.02 -2.28 -0.32 0.00 0.00 0.00 0.00 56.01 53.40 1k0h n LEU 75 Cb 0.14 -0.89 0.15 0.00 0.00 0.00 0.00 43.42 42.82 1k0h n LEU 75 CO 0.22 -0.33 0.18 0.54 0.00 0.00 0.00 177.39 177.99 1k0h n ARG 76 N 5.41 -0.51 -1.59 1.96 5.12 -1.25 -4.88 116.66 120.91 1k0h n ARG 76 Ca 0.35 -0.10 -0.40 0.00 -1.93 0.00 0.00 57.85 55.77 1k0h n ARG 76 Cb 0.19 -2.04 0.03 0.00 -1.16 0.00 0.00 32.46 29.47 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 -2.74 1.10 -0.50 5.56 0.00 -1.26 -4.00 116.66 114.81 1k0h n ARG 77 Ca 0.08 0.40 0.00 0.00 -0.00 0.00 0.00 57.85 58.33 1k0h n ARG 77 Cb 0.53 -2.04 0.00 0.00 0.00 0.00 0.00 32.46 30.96 1k0h n ARG 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1k0h n GLY 78 N 1.30 1.09 3.00 5.14 0.00 -1.26 -5.11 105.19 109.34 1k0h n GLY 78 Ca 0.11 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1k0h n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k0h s ASP 79 N -2.21 0.24 0.02 1.61 -1.08 -1.26 -4.76 116.67 109.24 1k0h s ASP 79 Ca 0.00 -0.51 0.08 0.00 -0.52 0.00 0.00 52.55 51.60 1k0h s ASP 79 Cb 0.00 0.11 -0.03 0.00 -1.46 0.00 0.00 42.92 41.55 1k0h s ASP 79 CO 0.00 -0.32 -0.23 -0.89 0.52 0.00 0.00 175.17 174.25 1k0h s THR 80 N -1.60 2.36 0.09 1.71 2.01 -1.20 -2.72 115.64 116.29 1k0h s THR 80 Ca -0.15 -1.20 0.02 0.00 0.31 0.00 0.00 61.69 60.67 1k0h s THR 80 Cb -0.09 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 1k0h s THR 80 CO -0.01 0.44 -0.07 -1.48 -0.69 0.00 0.00 174.62 172.81 1k0h s LEU 81 N -1.07 2.47 -0.11 4.42 2.34 -0.05 -1.05 118.68 125.61 1k0h s LEU 81 Ca 0.12 -0.93 0.03 0.00 0.06 0.00 0.00 54.13 53.41 1k0h s LEU 81 Cb -0.10 -0.07 -0.00 0.00 -0.56 0.00 0.00 46.19 45.46 1k0h s LEU 81 CO 0.02 -0.43 -0.21 0.42 -1.06 0.00 0.00 176.35 175.08 1k0h s THR 82 N -3.26 2.27 0.00 5.48 -4.23 0.22 0.18 115.64 116.30 1k0h s THR 82 Ca 0.08 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1k0h s THR 82 Cb 0.03 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.98 1k0h s THR 82 CO -0.04 0.55 0.00 0.00 -0.54 0.00 0.00 174.62 174.59 1k0h n ILE 83 N 3.61 0.00 -0.33 2.99 3.06 -1.26 0.20 119.36 127.63 1k0h n ILE 83 Ca -0.19 0.00 -0.03 0.00 -2.50 0.00 0.00 62.75 60.03 1k0h n ILE 83 Cb 0.53 0.00 0.10 0.00 0.54 0.00 0.00 39.64 40.80 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 1.27 -2.05 4.50 0.00 -1.91 0.12 103.07 105.01 1k0h h GLY 84 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1k0h h GLY 84 CO 0.00 0.45 0.00 1.18 0.00 0.00 0.00 176.54 178.17 1k0h n GLU 85 N -4.47 2.67 -1.53 4.80 -0.58 -1.26 -4.87 120.64 115.41 1k0h n GLU 85 Ca 0.10 -1.64 -0.18 0.00 -0.42 0.00 0.00 57.16 55.02 1k0h n GLU 85 Cb 0.03 -1.68 -0.08 0.00 -0.57 0.00 0.00 31.44 29.14 1k0h n GLU 85 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1k0h n GLU 86 N 0.49 -1.42 -3.54 3.49 1.02 0.42 -4.74 120.64 116.36 1k0h n GLU 86 Ca 0.15 1.08 -0.18 0.00 -0.02 0.00 0.00 57.16 58.19 1k0h n GLU 86 Cb 0.60 -5.43 -0.13 0.00 -0.02 0.00 0.00 31.44 26.46 1k0h n GLU 86 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1k0h s ASN 87 N -2.56 1.20 0.03 1.62 -0.87 -1.26 -4.30 114.94 108.81 1k0h s ASN 87 Ca 0.00 -0.06 0.00 0.00 -1.57 0.00 0.00 52.86 51.23 1k0h s ASN 87 Cb 0.00 0.38 -0.02 0.00 -0.02 0.00 0.00 41.25 41.59 1k0h s ASN 87 CO 0.00 -0.31 -0.04 -0.36 -2.57 0.00 0.00 177.10 173.82 1k0h s PHE 88 N 2.32 0.39 0.00 2.20 0.08 0.48 -4.38 117.98 119.08 1k0h s PHE 88 Ca 0.05 -0.57 0.02 0.00 0.12 0.00 0.00 56.93 56.55 1k0h s PHE 88 Cb -0.15 -0.26 -0.01 0.00 -0.57 0.00 0.00 43.02 42.03 1k0h s PHE 88 CO -0.11 -0.18 -0.06 -0.46 -0.10 0.00 0.00 175.22 174.31 1k0h s TRP 89 N -1.68 0.55 -0.52 0.36 -0.11 0.15 -0.88 118.94 116.81 1k0h s TRP 89 Ca -0.12 -0.17 -0.25 0.00 1.22 0.00 0.00 56.10 56.77 1k0h s TRP 89 Cb -0.08 -0.35 0.03 0.00 -1.50 0.00 0.00 33.47 31.58 1k0h s TRP 89 CO -0.01 -0.02 0.97 0.08 -4.62 0.00 0.00 176.95 173.35 1k0h s VAL 90 N -0.37 4.36 -1.80 5.86 1.01 -1.10 0.20 120.40 128.55 1k0h s VAL 90 Ca -0.00 0.53 0.23 0.00 0.00 0.00 0.00 61.98 62.74 1k0h s VAL 90 Cb -0.04 -4.53 -0.03 0.00 0.00 0.00 0.00 36.38 31.78 1k0h s VAL 90 CO -0.00 -1.05 1.09 -0.67 0.00 0.00 0.00 175.10 174.47 1k0h n ASP 91 N 7.50 1.75 -0.01 3.32 -0.08 0.58 -4.46 116.55 125.15 1k0h n ASP 91 Ca 0.04 -1.36 -0.00 0.00 -1.51 0.00 0.00 54.79 51.96 1k0h n ASP 91 Cb 0.48 0.55 -0.00 0.00 2.34 0.00 0.00 41.12 44.49 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 -0.37 0.00 -0.96 -0.67 1.74 0.11 -4.75 116.66 111.77 1k0h n ARG 92 Ca 0.08 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.82 1k0h n ARG 92 Cb 0.43 -0.00 0.09 0.00 -1.02 0.00 0.00 32.46 31.96 1k0h n ARG 92 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1k0h n VAL 93 N 0.01 0.44 -1.11 1.55 3.14 -1.26 -4.87 118.33 116.23 1k0h n VAL 93 Ca 0.00 -0.30 -0.31 0.00 -2.96 0.00 0.00 64.34 60.77 1k0h n VAL 93 Cb -0.00 -0.53 0.11 0.00 -1.06 0.00 0.00 33.84 32.36 1k0h n VAL 93 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1k0h s SER 94 N -1.68 4.08 1.00 6.55 0.01 -1.26 -5.02 113.70 117.37 1k0h s SER 94 Ca 0.56 1.92 0.00 0.00 1.31 0.00 0.00 55.95 59.74 1k0h s SER 94 Cb -0.25 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1k0h s SER 94 CO 0.68 -2.32 0.00 -0.81 0.41 0.00 0.00 173.24 171.19 1k0h n PRO 95 N -3.71 -1.89 0.00 12.44 -0.04 -1.26 -4.04 135.00 136.49 1k0h n PRO 95 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1k0h n PRO 95 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1k0h n PRO 95 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1k0h n ASP 96 N -2.99 0.00 -4.00 3.54 8.00 -1.26 -4.52 116.55 115.32 1k0h n ASP 96 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1k0h n ASP 96 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 1k0h n ASP 96 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1k0h n ASP 97 N 2.25 6.01 -3.64 -2.24 5.68 -1.26 -4.93 116.55 118.42 1k0h n ASP 97 Ca 0.00 -3.30 -0.09 0.00 -0.50 0.00 0.00 54.79 50.90 1k0h n ASP 97 Cb 0.00 -1.34 -0.07 0.00 -1.14 0.00 0.00 41.12 38.57 1k0h n ASP 97 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1k0h s GLY 98 N -0.79 -0.58 -0.09 6.12 0.00 -1.26 -4.81 107.32 105.90 1k0h s GLY 98 Ca 0.33 2.22 0.11 0.00 0.00 0.00 0.00 44.72 47.39 1k0h s GLY 98 CO 0.07 2.15 1.32 0.61 0.00 0.00 0.00 173.10 177.25 1k0h n GLY 99 N 3.88 1.95 1.42 0.20 0.00 -1.26 -5.04 105.19 106.34 1k0h n GLY 99 Ca -0.19 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 0.60 -7.36 -3.01 1.61 2.88 -1.26 -4.91 113.62 102.17 1k0h n SER 100 Ca 0.17 1.44 -0.11 0.00 -1.33 0.00 0.00 58.87 59.05 1k0h n SER 100 Cb 0.67 -4.79 0.05 0.00 -0.75 0.00 0.00 64.21 59.40 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 -2.79 0.00 -2.77 0.00 -0.00 -1.26 -5.04 115.22 103.36 1k0h n HIS 102 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.64 1k0h n HIS 102 Cb 0.59 0.40 -0.02 0.00 -0.00 0.00 0.00 29.99 30.95 1k0h n HIS 102 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1k0h n LEU 103 N -2.35 -5.31 -4.53 2.39 0.00 -1.26 -3.19 117.00 102.75 1k0h n LEU 103 Ca 0.00 1.73 -0.41 0.00 0.00 0.00 0.00 56.01 57.33 1k0h n LEU 103 Cb 0.02 -2.49 -0.09 0.00 0.00 0.00 0.00 43.42 40.86 1k0h n LEU 103 CO 0.00 -3.41 0.06 0.86 0.00 0.00 0.00 177.39 174.90 1k0h s TRP 104 N -0.36 3.20 0.31 1.96 -0.11 -1.26 0.16 118.94 122.85 1k0h s TRP 104 Ca -0.15 -0.08 0.08 0.00 1.22 0.00 0.00 56.10 57.17 1k0h s TRP 104 Cb 0.01 -2.74 -0.03 0.00 -1.50 0.00 0.00 33.47 29.21 1k0h s TRP 104 CO 0.40 -0.50 0.22 -0.51 -4.62 0.00 0.00 176.95 171.94 1k0h s LEU 105 N 2.07 3.58 -0.09 5.86 1.43 0.13 0.22 118.68 131.88 1k0h s LEU 105 Ca 0.12 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1k0h s LEU 105 Cb -0.17 -2.14 0.05 0.00 0.03 0.00 0.00 46.19 43.96 1k0h s LEU 105 CO 0.12 -0.23 0.17 -0.83 0.23 0.00 0.00 176.35 175.81 1k0h s GLY 106 N -3.91 0.01 -0.11 -3.19 0.00 0.13 -4.00 107.32 96.25 1k0h s GLY 106 Ca 0.38 0.64 -0.08 0.00 0.00 0.00 0.00 44.72 45.66 1k0h s GLY 106 CO 0.25 1.58 0.17 0.50 0.00 0.00 0.00 173.10 175.60 1k0h s ARG 107 N 2.07 3.49 -0.00 2.90 0.52 -1.26 0.32 118.95 126.99 1k0h s ARG 107 Ca 0.00 -0.07 0.04 0.00 -0.52 0.00 0.00 55.73 55.18 1k0h s ARG 107 Cb -0.12 -3.19 -0.06 0.00 0.52 0.00 0.00 34.95 32.10 1k0h s ARG 107 CO -0.06 0.77 0.08 0.41 0.02 0.00 0.00 175.30 176.52 1k0h n GLY 108 N 1.96 -0.14 3.85 -3.53 0.00 -1.26 -5.00 105.19 101.06 1k0h n GLY 108 Ca -0.19 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.61 -1.34 -2.77 1.61 3.14 -1.26 -4.93 118.33 111.16 1k0h n VAL 109 Ca -0.01 -0.27 -0.22 0.00 -2.96 0.00 0.00 64.34 60.88 1k0h n VAL 109 Cb 0.09 -1.15 0.10 0.00 -1.06 0.00 0.00 33.84 31.83 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 -2.91 0.15 0.04 1.45 -0.04 -1.26 -5.07 135.00 127.35 1k0h n PRO 110 Ca -0.07 -2.90 -0.02 0.00 -0.04 0.00 0.00 63.50 60.48 1k0h n PRO 110 Cb 0.29 -0.51 -0.01 0.00 -0.04 0.00 0.00 33.50 33.23 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 -0.10 -5.75 0.54 0.11 -2.00 -3.41 132.00 121.40 1k0h h PRO 111 Ca -0.31 0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.34 1k0h h PRO 111 Cb 1.24 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1k0h h PRO 111 CO 0.37 -0.06 1.50 0.00 -0.21 0.00 0.00 178.00 179.59 1k0h s ALA 112 N -3.18 1.82 -0.24 -0.75 0.00 -1.26 -4.91 121.76 113.24 1k0h s ALA 112 Ca -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 1k0h s ALA 112 Cb 0.00 -4.34 0.07 0.00 0.00 0.00 0.00 23.12 18.86 1k0h s ALA 112 CO 0.04 -4.28 0.05 0.08 0.00 0.00 0.00 175.76 171.64 1k0h s VAL 113 N 11.06 0.74 -0.89 0.00 1.01 -1.26 -5.06 120.40 126.00 1k0h s VAL 113 Ca 0.86 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 61.69 1k0h s VAL 113 Cb -0.15 -1.32 -0.18 0.00 0.00 0.00 0.00 36.38 34.72 1k0h s VAL 113 CO 0.23 -0.36 2.22 0.59 0.00 0.00 0.00 175.10 177.79 1k0h n ASN 114 N 4.95 1.28 0.13 3.32 4.13 -1.26 -4.68 115.26 123.12 1k0h n ASN 114 Ca -0.07 -1.84 -0.02 0.00 1.68 0.00 0.00 54.58 54.33 1k0h n ASN 114 Cb 0.45 -1.59 0.12 0.00 -1.54 0.00 0.00 39.78 37.22 1k0h n ASN 114 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 1k0h h ARG 115 N 12.05 0.00 -4.93 3.52 -0.00 -1.97 -3.49 114.38 119.55 1k0h h ARG 115 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 1k0h h ARG 115 Cb 1.01 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.92 1k0h h ARG 115 CO 1.03 0.67 -0.98 0.54 0.00 0.00 0.00 179.97 181.24 1k0h n ARG 116 N -3.66 -3.87 0.00 0.04 5.12 -1.26 -5.15 116.66 107.87 1k0h n ARG 116 Ca -0.01 2.89 0.00 0.00 -1.93 0.00 0.00 57.85 58.80 1k0h n ARG 116 Cb 0.68 -3.85 0.00 0.00 -1.16 0.00 0.00 32.46 28.12 1k0h n ARG 116 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57