#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3k s ASP 2 N 0.00 -0.43 0.00 0.00 2.15 -1.26 -4.69 116.67 112.44 2h3k s ASP 2 Ca 0.00 0.08 0.00 0.00 0.43 0.00 0.00 52.55 53.06 2h3k s ASP 2 Cb 0.00 0.51 0.00 0.00 -0.30 0.00 0.00 42.92 43.13 2h3k s ASP 2 CO 0.00 -0.78 0.00 1.21 -0.17 0.00 0.00 175.17 175.43 2h3k n GLU 3 N 0.18 3.97 -4.04 4.34 2.13 -1.26 -5.14 120.64 120.82 2h3k n GLU 3 Ca -0.18 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.41 2h3k n GLU 3 Cb 0.62 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 32.16 2h3k n GLU 3 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2h3k s SER 4 N 0.51 1.50 0.61 4.31 1.04 -1.26 -4.63 113.70 115.77 2h3k s SER 4 Ca 0.00 -0.17 0.28 0.00 0.48 0.00 0.00 55.95 56.54 2h3k s SER 4 Cb 0.00 -0.58 1.38 0.00 0.10 0.00 0.00 66.02 66.93 2h3k s SER 4 CO 0.00 -0.10 1.79 -0.07 0.98 0.00 0.00 173.24 175.84 2h3k h LEU 5 N 7.71 0.00 0.00 2.42 4.07 -1.76 0.77 115.31 128.52 2h3k h LEU 5 Ca -0.30 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.59 2h3k h LEU 5 Cb 1.14 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.87 2h3k h LEU 5 CO 0.39 0.00 -0.34 0.50 -1.08 0.00 0.00 178.44 177.91 2h3k h LYS 6 N 0.00 0.00 -0.30 1.13 3.64 -1.71 -3.04 116.57 116.29 2h3k h LYS 6 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2h3k h LYS 6 Cb 1.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2h3k h LYS 6 CO -0.00 0.31 0.00 -3.47 -2.27 0.00 0.00 179.45 174.02 2h3k n ASP 7 N -3.17 3.32 -0.00 4.20 2.03 0.25 -4.58 116.55 118.61 2h3k n ASP 7 Ca 0.03 -2.47 -0.00 0.00 0.52 0.00 0.00 54.79 52.87 2h3k n ASP 7 Cb 0.66 -0.37 -0.00 0.00 -0.72 0.00 0.00 41.12 40.69 2h3k n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2h3k n ALA 8 N 0.01 1.99 0.16 -1.67 0.00 -0.31 -4.63 120.51 116.06 2h3k n ALA 8 Ca 0.16 -0.02 0.19 0.00 0.00 0.00 0.00 53.44 53.76 2h3k n ALA 8 Cb 0.63 0.39 0.79 0.00 0.00 0.00 0.00 19.45 21.26 2h3k n ALA 8 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2h3k h ILE 9 N 0.00 0.34 -1.76 0.00 3.07 -1.77 -3.31 117.51 114.08 2h3k h ILE 9 Ca -0.01 0.00 -0.67 0.00 1.55 0.00 0.00 64.86 65.73 2h3k h ILE 9 Cb 1.02 0.71 -0.14 0.00 -0.27 0.00 0.00 36.82 38.14 2h3k h ILE 9 CO -0.00 0.00 1.32 -0.54 -1.05 0.00 0.00 178.15 177.88 2h3k s LYS 10 N -4.54 3.74 -0.12 0.16 -0.14 -1.26 -4.67 119.74 112.91 2h3k s LYS 10 Ca -0.04 -1.75 -0.23 0.00 -1.36 0.00 0.00 55.97 52.58 2h3k s LYS 10 Cb 0.14 -5.16 0.05 0.00 -1.68 0.00 0.00 37.83 31.19 2h3k s LYS 10 CO 0.50 -1.97 0.56 -0.51 -0.76 0.00 0.00 175.35 173.18 2h3k s ASP 11 N 3.97 -0.54 0.29 2.83 1.01 -1.25 -5.03 116.67 117.95 2h3k s ASP 11 Ca 0.41 0.79 0.14 0.00 0.71 0.00 0.00 52.55 54.60 2h3k s ASP 11 Cb -0.02 0.78 0.35 0.00 1.01 0.00 0.00 42.92 45.03 2h3k s ASP 11 CO -0.05 -0.40 1.58 1.55 0.21 0.00 0.00 175.17 178.05 2h3k h PRO 12 N 4.14 0.00 -0.01 8.23 0.13 -1.94 -1.20 132.00 141.35 2h3k h PRO 12 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2h3k h PRO 12 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2h3k h PRO 12 CO 0.28 0.55 0.00 0.00 -0.23 0.00 0.00 178.00 178.61 2h3k n ALA 13 N -2.32 2.65 0.00 -0.56 0.00 -1.26 -4.03 120.51 114.99 2h3k n ALA 13 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2h3k n ALA 13 Cb 0.65 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2h3k n ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2h3k n LEU 14 N -0.62 1.73 -4.53 0.00 4.77 -1.14 -4.84 117.00 112.38 2h3k n LEU 14 Ca 0.22 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.84 2h3k n LEU 14 Cb 0.18 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.18 2h3k n LEU 14 CO 0.17 0.29 2.07 1.21 -1.33 0.00 0.00 177.39 179.80 2h3k n GLU 15 N -2.17 0.54 -2.64 3.23 2.13 -0.47 -2.33 120.64 118.93 2h3k n GLU 15 Ca 0.00 -0.05 -0.03 0.00 0.66 0.00 0.00 57.16 57.73 2h3k n GLU 15 Cb 0.43 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.58 2h3k n GLU 15 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2h3k n ASN 16 N 13.44 -7.36 -4.20 4.31 2.85 -1.18 -4.95 115.26 118.17 2h3k n ASN 16 Ca 0.51 0.91 -0.25 0.00 -0.11 0.00 0.00 54.58 55.64 2h3k n ASN 16 Cb 0.31 -4.91 -0.15 0.00 1.24 0.00 0.00 39.78 36.28 2h3k n ASN 16 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2h3k s LYS 17 N -1.92 1.36 -1.24 1.20 2.20 -1.18 -5.04 119.74 115.12 2h3k s LYS 17 Ca 0.10 -0.77 -0.19 0.00 -0.36 0.00 0.00 55.97 54.76 2h3k s LYS 17 Cb -0.03 -1.38 0.05 0.00 -1.51 0.00 0.00 37.83 34.96 2h3k s LYS 17 CO 0.69 0.36 1.71 -2.00 -0.36 0.00 0.00 175.35 175.76 2h3k s GLU 18 N -0.79 3.79 -0.41 4.03 2.12 -1.26 -4.79 118.70 121.40 2h3k s GLU 18 Ca 0.06 -1.76 -0.02 0.00 0.36 0.00 0.00 54.97 53.61 2h3k s GLU 18 Cb -0.08 -5.48 0.24 0.00 0.26 0.00 0.00 34.13 29.07 2h3k s GLU 18 CO 0.00 -2.39 2.12 -2.39 -0.54 0.00 0.00 175.26 172.06 2h3k n HIS 19 N 8.98 1.89 -1.26 5.30 1.44 -1.26 -4.21 115.22 126.10 2h3k n HIS 19 Ca 0.46 -2.17 0.09 0.00 -2.01 0.00 0.00 57.72 54.08 2h3k n HIS 19 Cb 0.47 -1.11 0.17 0.00 0.12 0.00 0.00 29.99 29.64 2h3k n HIS 19 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2h3k n ASP 20 N 0.16 2.14 -4.52 4.39 8.00 -1.26 -4.93 116.55 120.53 2h3k n ASP 20 Ca 0.39 -3.38 -0.43 0.00 0.71 0.00 0.00 54.79 52.08 2h3k n ASP 20 Cb 0.58 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 41.21 2h3k n ASP 20 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2h3k s ILE 21 N -3.01 4.48 -5.00 0.53 -1.09 -1.26 -4.84 121.20 111.01 2h3k s ILE 21 Ca 0.34 -1.93 0.00 0.00 -2.23 0.00 0.00 60.65 56.83 2h3k s ILE 21 Cb 0.31 -5.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.17 2h3k s ILE 21 CO -0.00 -1.81 0.00 0.61 -1.23 0.00 0.00 174.94 172.51 2h3k n GLY 22 N 5.21 -0.25 3.71 6.18 0.00 -1.26 -5.13 105.19 113.65 2h3k n GLY 22 Ca 0.39 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 2h3k n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2h3k s PRO 23 N -1.86 -0.31 -0.24 1.61 0.04 -1.26 -5.08 135.00 127.90 2h3k s PRO 23 Ca 0.00 -0.04 -0.32 0.00 0.04 0.00 0.00 61.00 60.68 2h3k s PRO 23 Cb 0.00 -1.70 0.16 0.00 0.04 0.00 0.00 34.50 33.00 2h3k s PRO 23 CO 0.00 -3.11 1.27 -0.98 0.04 0.00 0.00 177.00 174.23 2h3k s ARG 24 N -5.46 0.19 0.29 4.56 1.70 -1.26 -4.39 118.95 114.59 2h3k s ARG 24 Ca 0.70 -0.01 0.01 0.00 -0.47 0.00 0.00 55.73 55.97 2h3k s ARG 24 Cb -0.10 0.09 -0.02 0.00 -0.57 0.00 0.00 34.95 34.35 2h3k s ARG 24 CO 0.55 -0.07 0.30 -1.21 -1.08 0.00 0.00 175.30 173.79 2h3k s GLU 25 N -1.55 1.63 -0.13 3.89 0.41 -0.84 -4.90 118.70 117.22 2h3k s GLU 25 Ca 0.08 -1.80 0.02 0.00 -0.41 0.00 0.00 54.97 52.86 2h3k s GLU 25 Cb -0.01 0.35 -0.00 0.00 -1.78 0.00 0.00 34.13 32.69 2h3k s GLU 25 CO -0.05 -0.62 -0.18 -0.65 -0.49 0.00 0.00 175.26 173.27 2h3k s GLN 26 N -3.58 3.18 -0.01 1.61 -0.21 -1.26 -1.46 119.66 117.92 2h3k s GLN 26 Ca 0.36 -0.79 0.03 0.00 0.02 0.00 0.00 55.36 54.99 2h3k s GLN 26 Cb 0.03 -2.50 -0.01 0.00 1.00 0.00 0.00 33.01 31.53 2h3k s GLN 26 CO 0.20 0.11 -0.10 0.08 -2.12 0.00 0.00 175.29 173.46 2h3k s VAL 27 N 0.56 0.84 0.57 1.09 1.01 0.42 -4.94 120.40 119.94 2h3k s VAL 27 Ca -0.11 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 2h3k s VAL 27 Cb -0.16 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.53 2h3k s VAL 27 CO 0.04 0.24 0.84 0.21 0.00 0.00 0.00 175.10 176.43 2h3k s ASN 28 N -0.19 5.48 -0.00 3.32 2.47 -1.26 0.49 114.94 125.24 2h3k s ASN 28 Ca 0.03 0.46 0.00 0.00 0.42 0.00 0.00 52.86 53.78 2h3k s ASN 28 Cb -0.05 -1.45 0.00 0.00 -1.45 0.00 0.00 41.25 38.31 2h3k s ASN 28 CO -0.00 -1.07 -0.01 0.72 -3.72 0.00 0.00 177.10 173.02 2h3k s PHE 29 N -2.89 0.08 -0.36 0.43 -0.12 -1.26 0.05 117.98 113.91 2h3k s PHE 29 Ca 0.54 -0.01 -0.15 0.00 -0.05 0.00 0.00 56.93 57.26 2h3k s PHE 29 Cb -0.10 -0.07 -0.00 0.00 -0.63 0.00 0.00 43.02 42.21 2h3k s PHE 29 CO 0.42 -0.01 0.36 -0.65 -0.05 0.00 0.00 175.22 175.29 2h3k s GLN 30 N 0.06 3.40 -0.27 1.99 1.11 -0.15 -4.90 119.66 120.89 2h3k s GLN 30 Ca -0.00 -0.57 -0.25 0.00 0.01 0.00 0.00 55.36 54.55 2h3k s GLN 30 Cb -0.01 -3.86 -0.00 0.00 -1.01 0.00 0.00 33.01 28.13 2h3k s GLN 30 CO -0.00 -0.60 0.83 -0.51 0.01 0.00 0.00 175.29 175.02 2h3k s LEU 31 N 1.97 4.07 -0.14 2.90 2.01 -1.26 -1.89 118.68 126.34 2h3k s LEU 31 Ca 0.10 0.91 -0.02 0.00 0.01 0.00 0.00 54.13 55.13 2h3k s LEU 31 Cb -0.17 -3.18 0.05 0.00 0.01 0.00 0.00 46.19 42.90 2h3k s LEU 31 CO 0.12 -0.58 0.02 -0.76 1.01 0.00 0.00 176.35 176.16 2h3k s LEU 32 N 2.95 0.88 0.00 1.79 1.43 -0.81 -3.86 118.68 121.06 2h3k s LEU 32 Ca 0.35 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 2h3k s LEU 32 Cb -0.15 -0.51 0.00 0.00 0.03 0.00 0.00 46.19 45.56 2h3k s LEU 32 CO 0.10 -0.26 0.00 -0.90 0.23 0.00 0.00 176.35 175.52 2h3k n ASP 33 N 5.11 0.00 -2.00 2.29 5.75 -1.23 -1.31 116.55 125.15 2h3k n ASP 33 Ca -0.08 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.49 2h3k n ASP 33 Cb 0.48 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.62 2h3k n ASP 33 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2h3k n LYS 34 N 0.00 2.02 -0.77 0.11 0.00 -1.26 -3.95 118.16 114.31 2h3k n LYS 34 Ca 0.00 -1.98 -0.03 0.00 0.00 0.00 0.00 58.31 56.29 2h3k n LYS 34 Cb 0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 35.03 33.22 2h3k n LYS 34 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2h3k n ASN 35 N 0.04 -0.49 -3.93 3.14 3.02 -1.26 -5.01 115.26 110.76 2h3k n ASN 35 Ca 0.38 -1.54 -0.26 0.00 -0.03 0.00 0.00 54.58 53.13 2h3k n ASN 35 Cb 0.60 0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 39.91 2h3k n ASN 35 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2h3k n ASN 36 N 0.01 -0.88 -3.98 6.41 3.02 -1.25 -4.95 115.26 113.64 2h3k n ASN 36 Ca -0.14 -0.97 -0.30 0.00 -0.03 0.00 0.00 54.58 53.15 2h3k n ASN 36 Cb 0.62 -3.22 -0.16 0.00 -0.61 0.00 0.00 39.78 36.40 2h3k n ASN 36 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2h3k s GLU 37 N -6.50 1.98 -0.02 3.52 2.02 -1.26 -4.97 118.70 113.46 2h3k s GLU 37 Ca 0.09 -0.63 -0.20 0.00 0.02 0.00 0.00 54.97 54.26 2h3k s GLU 37 Cb -0.05 -2.16 -0.05 0.00 0.10 0.00 0.00 34.13 31.97 2h3k s GLU 37 CO 0.88 -0.35 0.56 0.99 0.02 0.00 0.00 175.26 177.36 2h3k s THR 38 N 1.50 4.96 0.13 3.63 2.01 -1.25 -3.52 115.64 123.10 2h3k s THR 38 Ca 0.02 1.16 -0.31 0.00 0.31 0.00 0.00 61.69 62.87 2h3k s THR 38 Cb -0.14 -3.89 -0.08 0.00 0.01 0.00 0.00 72.50 68.39 2h3k s THR 38 CO -0.09 0.42 1.43 0.00 -0.69 0.00 0.00 174.62 175.69 2h3k s GLN 39 N -0.17 4.30 -0.08 4.92 -2.07 -1.26 -4.90 119.66 120.40 2h3k s GLN 39 Ca 0.30 2.14 0.00 0.00 -1.82 0.00 0.00 55.36 55.98 2h3k s GLN 39 Cb -0.18 -3.22 -0.05 0.00 -1.09 0.00 0.00 33.01 28.47 2h3k s GLN 39 CO 0.16 -0.47 -0.07 0.98 -1.32 0.00 0.00 175.29 174.57 2h3k n TYR 40 N 3.84 0.00 -0.01 9.60 9.36 -1.26 -4.79 117.16 133.89 2h3k n TYR 40 Ca 0.12 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.36 2h3k n TYR 40 Cb 0.41 -0.32 -0.06 0.00 -0.63 0.00 0.00 39.34 38.74 2h3k n TYR 40 CO 0.00 0.00 0.00 2.48 0.22 0.00 0.00 176.86 179.56 2h3k n TYR 41 N -2.76 0.00 -1.68 2.98 4.11 -1.26 -4.95 117.16 113.60 2h3k n TYR 41 Ca -0.15 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.32 2h3k n TYR 41 Cb 0.65 -0.24 -0.03 0.00 -0.00 0.00 0.00 39.34 39.72 2h3k n TYR 41 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 2h3k s HIS 42 N -2.46 1.28 0.27 -3.48 2.46 -1.26 -4.90 115.29 107.19 2h3k s HIS 42 Ca -0.03 0.54 -0.30 0.00 0.47 0.00 0.00 55.06 55.74 2h3k s HIS 42 Cb 0.04 -3.96 -0.12 0.00 -0.13 0.00 0.00 32.58 28.41 2h3k s HIS 42 CO 0.33 -3.91 1.64 1.19 -2.47 0.00 0.00 174.74 171.53 2h3k n PHE 43 N 11.40 2.87 -4.66 3.88 3.01 -1.26 -4.98 117.46 127.72 2h3k n PHE 43 Ca 0.28 0.19 -0.28 0.00 1.01 0.00 0.00 57.45 58.65 2h3k n PHE 43 Cb 0.45 -2.63 -0.06 0.00 -0.01 0.00 0.00 39.48 37.24 2h3k n PHE 43 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2h3k n PHE 44 N 2.63 1.00 -0.07 1.38 7.35 -1.26 -5.08 117.46 123.41 2h3k n PHE 44 Ca 0.10 -2.20 -0.13 0.00 -0.76 0.00 0.00 57.45 54.46 2h3k n PHE 44 Cb 0.36 -0.28 -0.10 0.00 0.35 0.00 0.00 39.48 39.81 2h3k n PHE 44 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 2h3k h SER 45 N 1.08 0.00 -3.03 -2.13 4.64 -1.95 -3.47 113.55 108.69 2h3k h SER 45 Ca -0.37 -0.70 -0.51 0.00 -0.47 0.00 0.00 61.79 59.74 2h3k h SER 45 Cb 1.12 0.00 0.22 0.00 -0.31 0.00 0.00 62.40 63.43 2h3k h SER 45 CO 0.61 1.01 -0.80 -0.38 -0.87 0.00 0.00 176.83 176.39 2h3k n ILE 46 N -4.60 0.00 0.00 0.95 2.08 -1.26 -1.60 119.36 114.93 2h3k n ILE 46 Ca -0.13 -0.23 0.00 0.00 0.56 0.00 0.00 62.75 62.95 2h3k n ILE 46 Cb 0.43 -0.57 0.00 0.00 -0.75 0.00 0.00 39.64 38.75 2h3k n ILE 46 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2h3k n LYS 47 N -1.49 0.00 -2.77 0.38 4.81 -1.16 -4.79 118.16 113.15 2h3k n LYS 47 Ca 0.05 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.29 2h3k n LYS 47 Cb 0.56 -0.08 0.03 0.00 0.02 0.00 0.00 35.03 35.57 2h3k n LYS 47 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2h3k s ASP 48 N -2.91 5.32 0.30 3.14 1.11 -1.26 -5.06 116.67 117.31 2h3k s ASP 48 Ca 0.00 -0.21 -0.29 0.00 0.18 0.00 0.00 52.55 52.24 2h3k s ASP 48 Cb 0.00 -0.69 -0.10 0.00 1.07 0.00 0.00 42.92 43.21 2h3k s ASP 48 CO 0.00 -1.08 1.12 -2.16 1.18 0.00 0.00 175.17 174.23 2h3k s PRO 49 N -4.65 4.54 0.09 8.23 0.04 -1.26 -4.65 135.00 137.33 2h3k s PRO 49 Ca 0.57 1.83 -0.31 0.00 0.04 0.00 0.00 61.00 63.13 2h3k s PRO 49 Cb -0.10 -3.09 -0.10 0.00 0.04 0.00 0.00 34.50 31.25 2h3k s PRO 49 CO 0.37 0.11 1.83 0.00 0.04 0.00 0.00 177.00 179.35 2h3k s ALA 50 N -1.22 3.71 0.63 8.56 0.00 0.18 -4.55 121.76 129.07 2h3k s ALA 50 Ca 0.47 1.38 -0.03 0.00 0.00 0.00 0.00 51.96 53.78 2h3k s ALA 50 Cb -0.32 -3.77 0.05 0.00 0.00 0.00 0.00 23.12 19.08 2h3k s ALA 50 CO 0.41 -1.29 0.90 -0.51 0.00 0.00 0.00 175.76 175.27 2h3k s ASP 51 N 3.07 5.02 -0.22 0.00 1.01 -0.16 0.16 116.67 125.54 2h3k s ASP 51 Ca 0.81 0.21 -0.02 0.00 0.71 0.00 0.00 52.55 54.26 2h3k s ASP 51 Cb -0.44 -0.97 0.07 0.00 1.01 0.00 0.00 42.92 42.59 2h3k s ASP 51 CO 0.37 -1.39 0.05 -0.69 0.21 0.00 0.00 175.17 173.72 2h3k s VAL 52 N -3.01 0.60 -0.99 -1.27 1.01 -0.54 0.09 120.40 116.29 2h3k s VAL 52 Ca 0.59 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.65 2h3k s VAL 52 Cb -0.10 -1.18 0.15 0.00 0.00 0.00 0.00 36.38 35.24 2h3k s VAL 52 CO 0.42 -0.32 1.17 -0.31 0.00 0.00 0.00 175.10 176.06 2h3k s TYR 53 N 1.81 3.24 0.07 5.22 1.51 0.42 -1.98 117.35 127.64 2h3k s TYR 53 Ca 0.01 -1.59 -0.31 0.00 -1.01 0.00 0.00 57.07 54.17 2h3k s TYR 53 Cb -0.17 -4.26 -0.08 0.00 -0.11 0.00 0.00 41.96 37.33 2h3k s TYR 53 CO -0.13 -1.44 1.69 0.71 -1.11 0.00 0.00 175.55 175.27 2h3k s TYR 54 N 2.28 2.32 0.00 2.71 2.02 -1.26 -2.28 117.35 123.14 2h3k s TYR 54 Ca 0.34 0.24 0.00 0.00 -0.37 0.00 0.00 57.07 57.28 2h3k s TYR 54 Cb -0.05 -4.00 0.00 0.00 -0.40 0.00 0.00 41.96 37.51 2h3k s TYR 54 CO -0.07 -4.06 0.00 0.25 -1.57 0.00 0.00 175.55 170.09 2h3k n THR 55 N 4.80 0.00 0.14 -0.71 -2.24 -1.20 -4.56 114.28 110.51 2h3k n THR 55 Ca 0.16 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.05 2h3k n THR 55 Cb 0.40 -0.41 0.05 0.00 -2.10 0.00 0.00 70.33 68.27 2h3k n THR 55 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2h3k h LYS 56 N 0.00 0.00 0.00 -0.78 3.64 -1.94 -3.41 116.57 114.08 2h3k h LYS 56 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2h3k h LYS 56 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2h3k h LYS 56 CO 0.00 0.04 -0.16 1.63 -2.27 0.00 0.00 179.45 178.68 2h3k n LYS 57 N -2.84 0.11 -4.04 1.90 5.02 -1.26 -4.89 118.16 112.16 2h3k n LYS 57 Ca 0.01 0.22 -0.09 0.00 -2.02 0.00 0.00 58.31 56.42 2h3k n LYS 57 Cb 0.57 -0.88 -0.08 0.00 -0.02 0.00 0.00 35.03 34.62 2h3k n LYS 57 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2h3k s LYS 58 N -1.35 1.01 0.54 1.97 2.47 -1.26 -4.97 119.74 118.14 2h3k s LYS 58 Ca -0.05 -1.27 -0.20 0.00 -1.56 0.00 0.00 55.97 52.89 2h3k s LYS 58 Cb 0.01 0.31 -0.05 0.00 -1.46 0.00 0.00 37.83 36.63 2h3k s LYS 58 CO 0.07 -0.33 1.18 0.00 0.16 0.00 0.00 175.35 176.43 2h3k s ALA 59 N -3.99 2.73 -0.28 3.13 0.00 -1.26 -3.21 121.76 118.88 2h3k s ALA 59 Ca 0.19 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2h3k s ALA 59 Cb 0.05 -3.41 0.08 0.00 0.00 0.00 0.00 23.12 19.85 2h3k s ALA 59 CO -0.00 -0.92 0.04 -1.21 0.00 0.00 0.00 175.76 173.67 2h3k s GLU 60 N -3.11 1.12 0.32 0.00 2.02 -0.97 -2.74 118.70 115.35 2h3k s GLU 60 Ca 0.72 -1.15 -0.23 0.00 0.02 0.00 0.00 54.97 54.33 2h3k s GLU 60 Cb -0.29 -2.42 -0.10 0.00 0.10 0.00 0.00 34.13 31.43 2h3k s GLU 60 CO 0.33 -0.83 0.88 0.08 0.02 0.00 0.00 175.26 175.74 2h3k s VAL 61 N 1.43 4.35 0.05 2.63 1.01 -0.18 0.16 120.40 129.85 2h3k s VAL 61 Ca 0.05 1.59 0.05 0.00 0.00 0.00 0.00 61.98 63.67 2h3k s VAL 61 Cb -0.18 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 2h3k s VAL 61 CO -0.15 0.05 -0.14 -0.70 0.00 0.00 0.00 175.10 174.16 2h3k s GLU 62 N -2.31 0.90 0.06 2.72 -6.30 0.11 -0.76 118.70 113.11 2h3k s GLU 62 Ca 0.51 -0.85 0.07 0.00 -2.50 0.00 0.00 54.97 52.21 2h3k s GLU 62 Cb -0.16 -0.92 -0.03 0.00 0.00 0.00 0.00 34.13 33.03 2h3k s GLU 62 CO 0.21 0.22 -0.20 -0.51 0.02 0.00 0.00 175.26 174.99 2h3k s LEU 63 N -1.40 2.20 -0.35 2.70 1.43 0.63 -0.99 118.68 122.89 2h3k s LEU 63 Ca 0.00 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 2h3k s LEU 63 Cb -0.09 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.21 2h3k s LEU 63 CO 0.02 0.13 0.23 -0.62 0.23 0.00 0.00 176.35 176.33 2h3k s ASP 64 N -1.35 5.91 0.25 2.29 -1.08 -1.26 -2.80 116.67 118.63 2h3k s ASP 64 Ca 0.07 -0.64 -0.07 0.00 -0.52 0.00 0.00 52.55 51.38 2h3k s ASP 64 Cb -0.09 -2.10 -0.06 0.00 -1.46 0.00 0.00 42.92 39.21 2h3k s ASP 64 CO 0.02 -0.30 0.54 -0.63 0.52 0.00 0.00 175.17 175.33 2h3k s ILE 65 N 1.66 4.98 -0.01 4.11 1.09 -0.12 -2.96 121.20 129.96 2h3k s ILE 65 Ca 0.05 0.27 0.04 0.00 -1.10 0.00 0.00 60.65 59.91 2h3k s ILE 65 Cb -0.18 -3.67 -0.06 0.00 -1.06 0.00 0.00 42.46 37.49 2h3k s ILE 65 CO 0.09 -0.17 0.08 -3.20 -0.10 0.00 0.00 174.94 171.64 2h3k n ASN 66 N -0.47 4.06 -2.75 3.58 5.15 -0.63 -2.50 115.26 121.71 2h3k n ASN 66 Ca -0.01 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.68 2h3k n ASN 66 Cb 0.53 1.13 -0.01 0.00 -0.53 0.00 0.00 39.78 40.90 2h3k n ASN 66 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2h3k n THR 67 N -1.69 2.96 0.31 -0.44 -2.24 -1.25 -4.49 114.28 107.44 2h3k n THR 67 Ca -0.01 -5.15 0.18 0.00 -2.27 0.00 0.00 64.05 56.79 2h3k n THR 67 Cb 0.16 -1.33 0.94 0.00 -2.10 0.00 0.00 70.33 68.00 2h3k n THR 67 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h3k h ALA 68 N 2.85 1.14 0.00 6.98 0.00 -1.85 0.55 119.26 128.94 2h3k h ALA 68 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2h3k h ALA 68 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2h3k h ALA 68 CO 0.92 -0.14 0.00 0.45 0.00 0.00 0.00 179.25 180.48 2h3k n SER 69 N -2.84 0.00 -0.00 0.00 2.88 -1.26 -3.03 113.62 109.37 2h3k n SER 69 Ca -0.02 -0.27 0.02 0.00 -1.33 0.00 0.00 58.87 57.26 2h3k n SER 69 Cb 0.20 -0.17 -0.03 0.00 -0.75 0.00 0.00 64.21 63.47 2h3k n SER 69 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2h3k n THR 70 N -1.17 0.00 -2.17 2.46 -2.24 0.18 -4.97 114.28 106.36 2h3k n THR 70 Ca 0.12 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 2h3k n THR 70 Cb 0.13 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 2h3k n THR 70 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2h3k s TRP 71 N -2.08 2.66 -0.08 4.78 0.52 -1.17 -3.18 118.94 120.39 2h3k s TRP 71 Ca -0.01 0.68 0.07 0.00 0.02 0.00 0.00 56.10 56.86 2h3k s TRP 71 Cb 0.02 -3.72 -0.10 0.00 -1.15 0.00 0.00 33.47 28.52 2h3k s TRP 71 CO 0.15 -2.76 0.03 1.17 0.02 0.00 0.00 176.95 175.56 2h3k n LYS 72 N 5.79 2.65 -4.08 4.98 3.00 -1.23 -2.65 118.16 126.62 2h3k n LYS 72 Ca 0.14 -0.01 -0.12 0.00 -0.00 0.00 0.00 58.31 58.33 2h3k n LYS 72 Cb 0.43 -1.21 -0.06 0.00 0.00 0.00 0.00 35.03 34.20 2h3k n LYS 72 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2h3k s LYS 73 N -2.20 1.58 -0.30 1.64 1.02 -1.26 -3.73 119.74 116.49 2h3k s LYS 73 Ca -0.04 -1.51 -0.13 0.00 0.02 0.00 0.00 55.97 54.30 2h3k s LYS 73 Cb 0.02 0.41 0.18 0.00 -0.52 0.00 0.00 37.83 37.93 2h3k s LYS 73 CO 0.33 -0.63 1.10 0.12 -0.92 0.00 0.00 175.35 175.35 2h3k s PHE 74 N -3.75 -0.32 -0.45 3.18 2.19 -1.21 -4.07 117.98 113.54 2h3k s PHE 74 Ca 0.29 0.21 0.04 0.00 0.33 0.00 0.00 56.93 57.80 2h3k s PHE 74 Cb 0.01 0.06 0.17 0.00 -1.31 0.00 0.00 43.02 41.95 2h3k s PHE 74 CO 0.14 -0.19 0.35 -1.21 1.83 0.00 0.00 175.22 176.14 2h3k s GLU 75 N 2.97 1.14 0.64 10.12 2.02 0.37 -4.29 118.70 131.67 2h3k s GLU 75 Ca 0.24 -2.25 -0.16 0.00 0.02 0.00 0.00 54.97 52.82 2h3k s GLU 75 Cb -0.02 -1.76 -0.01 0.00 0.10 0.00 0.00 34.13 32.44 2h3k s GLU 75 CO -0.20 -1.35 1.12 0.54 0.02 0.00 0.00 175.26 175.38 2h3k s VAL 76 N -0.10 3.19 -0.07 2.63 0.11 -1.25 -3.35 120.40 121.56 2h3k s VAL 76 Ca 0.30 0.59 -0.05 0.00 -2.93 0.00 0.00 61.98 59.89 2h3k s VAL 76 Cb -0.00 -3.12 0.03 0.00 -1.53 0.00 0.00 36.38 31.75 2h3k s VAL 76 CO -0.17 -0.31 0.18 -0.72 -3.33 0.00 0.00 175.10 170.74 2h3k s TYR 77 N -2.21 -0.20 0.05 1.54 -0.85 0.12 0.05 117.35 115.84 2h3k s TYR 77 Ca 0.68 0.51 0.05 0.00 -0.52 0.00 0.00 57.07 57.80 2h3k s TYR 77 Cb -0.22 0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.13 2h3k s TYR 77 CO 0.39 -0.13 -0.15 -1.83 -1.52 0.00 0.00 175.55 172.31 2h3k s GLU 78 N 0.52 0.97 0.00 -3.49 4.04 -0.97 -0.88 118.70 118.90 2h3k s GLU 78 Ca -0.04 -0.84 0.00 0.00 0.04 0.00 0.00 54.97 54.14 2h3k s GLU 78 Cb -0.05 -1.01 0.00 0.00 0.02 0.00 0.00 34.13 33.09 2h3k s GLU 78 CO -0.03 0.25 0.00 -1.71 -1.84 0.00 0.00 175.26 171.93 2h3k n ASN 79 N 1.74 0.00 -1.44 0.83 2.85 -1.26 -2.60 115.26 115.38 2h3k n ASN 79 Ca -0.19 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.28 2h3k n ASN 79 Cb 0.54 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.58 2h3k n ASN 79 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2h3k n ASN 80 N 1.42 -0.22 -3.67 1.20 2.85 -1.26 -5.14 115.26 110.44 2h3k n ASN 80 Ca 0.00 -1.00 -0.08 0.00 -0.11 0.00 0.00 54.58 53.39 2h3k n ASN 80 Cb 0.00 0.10 -0.09 0.00 1.24 0.00 0.00 39.78 41.03 2h3k n ASN 80 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 2h3k s GLN 81 N 0.02 0.56 -0.38 1.20 0.74 -1.07 -5.12 119.66 115.61 2h3k s GLN 81 Ca 0.01 1.03 -0.25 0.00 0.05 0.00 0.00 55.36 56.20 2h3k s GLN 81 Cb 0.06 0.07 0.01 0.00 1.10 0.00 0.00 33.01 34.25 2h3k s GLN 81 CO -0.02 -0.15 0.88 0.15 -0.55 0.00 0.00 175.29 175.60 2h3k s LYS 82 N 1.55 3.78 0.19 1.67 1.02 -1.26 -2.29 119.74 124.39 2h3k s LYS 82 Ca -0.10 0.45 -0.30 0.00 0.02 0.00 0.00 55.97 56.04 2h3k s LYS 82 Cb -0.07 -3.82 -0.08 0.00 -0.52 0.00 0.00 37.83 33.35 2h3k s LYS 82 CO -0.17 -0.94 1.03 -0.51 -0.92 0.00 0.00 175.35 173.84 2h3k s LEU 83 N 3.38 4.53 -0.60 3.17 1.43 0.11 -4.93 118.68 125.77 2h3k s LEU 83 Ca 0.36 2.00 -0.28 0.00 -1.03 0.00 0.00 54.13 55.18 2h3k s LEU 83 Cb -0.12 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.51 2h3k s LEU 83 CO 0.19 -0.09 1.36 -2.16 0.23 0.00 0.00 176.35 175.88 2h3k s PRO 84 N -0.58 3.29 0.41 1.29 0.04 -1.26 -3.91 135.00 134.28 2h3k s PRO 84 Ca 0.46 0.28 -0.25 0.00 0.04 0.00 0.00 61.00 61.53 2h3k s PRO 84 Cb -0.27 -4.12 -0.08 0.00 0.04 0.00 0.00 34.50 30.06 2h3k s PRO 84 CO 0.34 -1.96 1.26 0.54 0.04 0.00 0.00 177.00 177.22 2h3k s VAL 85 N 5.91 2.75 0.14 -0.36 0.11 -1.26 -4.94 120.40 122.75 2h3k s VAL 85 Ca 0.48 0.65 0.08 0.00 -2.93 0.00 0.00 61.98 60.26 2h3k s VAL 85 Cb -0.10 -3.37 -0.04 0.00 -1.53 0.00 0.00 36.38 31.34 2h3k s VAL 85 CO 0.23 0.08 -0.20 0.00 -3.33 0.00 0.00 175.10 171.88 2h3k s ARG 86 N -2.30 1.21 -0.81 1.54 3.03 -1.18 -4.82 118.95 115.62 2h3k s ARG 86 Ca 0.58 -1.30 -0.15 0.00 2.03 0.00 0.00 55.73 56.88 2h3k s ARG 86 Cb -0.36 -1.37 0.19 0.00 -1.03 0.00 0.00 34.95 32.38 2h3k s ARG 86 CO 0.46 0.30 0.81 -0.51 -1.13 0.00 0.00 175.30 175.22 2h3k s LEU 87 N -2.34 6.30 0.61 -1.89 1.02 -1.26 -2.27 118.68 118.85 2h3k s LEU 87 Ca 0.12 -2.42 0.39 0.00 0.02 0.00 0.00 54.13 52.25 2h3k s LEU 87 Cb -0.08 -2.25 1.91 0.00 0.02 0.00 0.00 46.19 45.79 2h3k s LEU 87 CO 0.06 -0.73 2.18 1.62 0.02 0.00 0.00 176.35 179.50 2h3k h VAL 88 N 5.14 0.00 -1.62 -1.59 3.04 -1.59 -3.45 116.25 116.18 2h3k h VAL 88 Ca 0.06 -0.26 0.15 0.00 -1.01 0.00 0.00 66.70 65.64 2h3k h VAL 88 Cb 1.04 1.26 -0.21 0.00 -2.01 0.00 0.00 31.29 31.37 2h3k h VAL 88 CO 0.87 0.00 0.65 -0.94 -1.01 0.00 0.00 177.57 177.13 2h3k s SER 89 N -5.43 -0.27 -0.16 3.17 1.04 -1.11 -4.83 113.70 106.12 2h3k s SER 89 Ca -0.02 0.18 -0.07 0.00 0.48 0.00 0.00 55.95 56.52 2h3k s SER 89 Cb 0.11 0.25 0.06 0.00 0.10 0.00 0.00 66.02 66.54 2h3k s SER 89 CO 0.48 -0.33 0.36 -0.47 0.98 0.00 0.00 173.24 174.25 2h3k s TYR 90 N -1.79 -0.57 0.51 5.02 5.04 -0.98 0.61 117.35 125.18 2h3k s TYR 90 Ca 0.03 1.21 -0.19 0.00 -2.44 0.00 0.00 57.07 55.68 2h3k s TYR 90 Cb -0.01 0.19 -0.07 0.00 0.35 0.00 0.00 41.96 42.42 2h3k s TYR 90 CO -0.03 -0.36 1.06 0.45 -1.34 0.00 0.00 175.55 175.32 2h3k s SER 91 N 1.81 6.16 0.92 4.32 0.15 0.48 -3.12 113.70 124.42 2h3k s SER 91 Ca -0.06 1.95 -0.11 0.00 0.70 0.00 0.00 55.95 58.43 2h3k s SER 91 Cb -0.10 -2.56 0.14 0.00 -1.71 0.00 0.00 66.02 61.79 2h3k s SER 91 CO -0.11 -0.91 1.09 -2.16 1.20 0.00 0.00 173.24 172.35 2h3k s PRO 92 N -3.36 1.08 0.12 5.44 0.04 -1.26 -3.77 135.00 133.29 2h3k s PRO 92 Ca 0.68 0.88 -0.11 0.00 0.04 0.00 0.00 61.00 62.48 2h3k s PRO 92 Cb -0.18 -1.78 0.09 0.00 0.04 0.00 0.00 34.50 32.67 2h3k s PRO 92 CO 0.23 -2.38 0.85 0.28 0.04 0.00 0.00 177.00 176.03 2h3k n VAL 93 N -3.99 -0.31 -0.06 -0.36 0.31 -1.26 0.16 118.33 112.82 2h3k n VAL 93 Ca 0.07 1.30 0.07 0.00 -0.01 0.00 0.00 64.34 65.77 2h3k n VAL 93 Cb 0.55 -1.68 0.44 0.00 -0.91 0.00 0.00 33.84 32.23 2h3k n VAL 93 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2h3k h PRO 94 N 0.00 0.53 0.05 5.55 0.13 -2.04 -1.97 132.00 134.26 2h3k h PRO 94 Ca 0.17 -0.03 -0.30 0.00 -0.87 0.00 0.00 66.00 64.96 2h3k h PRO 94 Cb 0.30 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.28 2h3k h PRO 94 CO -0.54 0.35 -1.65 0.93 -0.23 0.00 0.00 178.00 176.87 2h3k h GLU 95 N 0.55 0.11 -6.75 0.86 4.39 0.12 -3.48 114.58 110.38 2h3k h GLU 95 Ca 0.23 -0.19 -0.55 0.00 0.34 0.00 0.00 59.36 59.18 2h3k h GLU 95 Cb 0.21 0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 28.82 2h3k h GLU 95 CO -0.06 0.84 -0.93 -3.47 -1.16 0.00 0.00 179.01 174.22 2h3k n ASP 96 N -3.26 -0.22 -4.03 1.42 -0.08 0.28 -4.92 116.55 105.74 2h3k n ASP 96 Ca -0.18 -1.14 -0.27 0.00 -1.51 0.00 0.00 54.79 51.70 2h3k n ASP 96 Cb 1.04 -2.39 -0.17 0.00 2.34 0.00 0.00 41.12 41.94 2h3k n ASP 96 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2h3k s HIS 97 N -4.09 1.70 -0.13 -0.67 3.76 -1.25 -3.73 115.29 110.88 2h3k s HIS 97 Ca 0.05 -0.73 -0.01 0.00 -0.15 0.00 0.00 55.06 54.21 2h3k s HIS 97 Cb -0.02 -1.25 -0.02 0.00 1.11 0.00 0.00 32.58 32.39 2h3k s HIS 97 CO 0.94 -0.39 -0.08 0.00 -0.85 0.00 0.00 174.74 174.35 2h3k s ALA 98 N 0.93 2.83 -0.38 -1.40 0.00 -1.04 0.18 121.76 122.88 2h3k s ALA 98 Ca -0.09 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 2h3k s ALA 98 Cb -0.15 -1.34 0.05 0.00 0.00 0.00 0.00 23.12 21.68 2h3k s ALA 98 CO 0.00 0.30 0.19 0.71 0.00 0.00 0.00 175.76 176.96 2h3k s TYR 99 N 0.13 3.28 0.25 0.00 2.02 0.20 -0.94 117.35 122.28 2h3k s TYR 99 Ca -0.04 -1.32 0.11 0.00 -0.37 0.00 0.00 57.07 55.46 2h3k s TYR 99 Cb -0.14 -2.55 -0.05 0.00 -0.40 0.00 0.00 41.96 38.82 2h3k s TYR 99 CO 0.04 -0.74 -0.16 0.96 -1.57 0.00 0.00 175.55 174.08 2h3k s ILE 100 N 1.46 2.74 0.10 2.71 -5.25 -1.12 -1.43 121.20 120.41 2h3k s ILE 100 Ca 0.01 -2.14 -0.16 0.00 -0.99 0.00 0.00 60.65 57.38 2h3k s ILE 100 Cb -0.20 -2.41 0.03 0.00 2.95 0.00 0.00 42.46 42.83 2h3k s ILE 100 CO 0.04 -0.30 0.38 0.00 -1.79 0.00 0.00 174.94 173.26 2h3k s ARG 101 N -3.28 1.01 0.09 0.37 1.70 -0.96 -0.27 118.95 117.60 2h3k s ARG 101 Ca 0.28 -0.67 -0.08 0.00 -0.47 0.00 0.00 55.73 54.79 2h3k s ARG 101 Cb -0.06 0.44 -0.01 0.00 -0.57 0.00 0.00 34.95 34.75 2h3k s ARG 101 CO 0.15 -0.38 0.17 -0.59 -1.08 0.00 0.00 175.30 173.58 2h3k s PHE 102 N -3.53 0.24 0.88 5.89 -0.71 0.06 -3.13 117.98 117.68 2h3k s PHE 102 Ca 0.01 -0.68 -0.12 0.00 -1.04 0.00 0.00 56.93 55.11 2h3k s PHE 102 Cb 0.02 -0.11 0.12 0.00 -1.21 0.00 0.00 43.02 41.84 2h3k s PHE 102 CO -0.10 -0.55 1.11 -1.25 -1.34 0.00 0.00 175.22 173.10 2h3k s PRO 103 N -3.89 1.40 -0.29 1.99 0.04 -1.26 -1.01 135.00 131.98 2h3k s PRO 103 Ca 0.07 0.50 0.02 0.00 0.04 0.00 0.00 61.00 61.63 2h3k s PRO 103 Cb 0.05 -1.85 0.16 0.00 0.04 0.00 0.00 34.50 32.90 2h3k s PRO 103 CO -0.09 -2.06 0.43 0.14 0.04 0.00 0.00 177.00 175.45 2h3k s VAL 104 N -3.16 -0.68 0.31 -0.36 -7.23 -1.11 -4.81 120.40 103.37 2h3k s VAL 104 Ca 0.63 -0.24 -0.02 0.00 -1.81 0.00 0.00 61.98 60.53 2h3k s VAL 104 Cb -0.15 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 2h3k s VAL 104 CO 0.55 -0.24 0.54 -0.55 -0.31 0.00 0.00 175.10 175.09 2h3k s SER 105 N 2.58 6.37 -1.41 4.85 0.15 -1.26 -4.25 113.70 120.72 2h3k s SER 105 Ca 0.10 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.32 2h3k s SER 105 Cb -0.12 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 2h3k s SER 105 CO -0.29 -0.23 0.00 -0.67 1.20 0.00 0.00 173.24 173.25 2h3k n ASP 106 N -1.31 -4.63 -2.14 5.45 2.03 -1.26 -2.25 116.55 112.44 2h3k n ASP 106 Ca -0.03 0.17 -0.19 0.00 0.52 0.00 0.00 54.79 55.25 2h3k n ASP 106 Cb 0.55 -3.62 -0.01 0.00 -0.72 0.00 0.00 41.12 37.32 2h3k n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2h3k n GLY 107 N -1.08 -0.26 2.25 0.27 0.00 -1.24 -4.81 105.19 100.31 2h3k n GLY 107 Ca -0.16 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 2h3k n GLY 107 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2h3k n THR 108 N -3.91 0.00 -0.56 2.61 -1.04 -0.95 -2.42 114.28 108.00 2h3k n THR 108 Ca -0.23 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 61.83 2h3k n THR 108 Cb 0.67 -0.06 0.07 0.00 -1.82 0.00 0.00 70.33 69.18 2h3k n THR 108 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2h3k n GLN 109 N 1.27 2.07 -3.65 -2.82 7.27 -1.26 -2.46 117.38 117.81 2h3k n GLN 109 Ca 0.14 -1.97 -0.00 0.00 0.07 0.00 0.00 57.00 55.24 2h3k n GLN 109 Cb 0.03 -1.21 -0.06 0.00 2.41 0.00 0.00 30.24 31.41 2h3k n GLN 109 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 2h3k s GLU 110 N -1.84 0.15 0.05 3.69 -1.05 -1.26 0.12 118.70 118.56 2h3k s GLU 110 Ca 0.15 0.24 -0.01 0.00 -0.15 0.00 0.00 54.97 55.20 2h3k s GLU 110 Cb 0.13 0.04 -0.04 0.00 -0.44 0.00 0.00 34.13 33.82 2h3k s GLU 110 CO 0.01 -0.03 -0.02 -0.48 0.95 0.00 0.00 175.26 175.69 2h3k s LEU 111 N 0.90 2.45 -0.56 1.83 2.34 -0.46 -4.85 118.68 120.33 2h3k s LEU 111 Ca -0.05 -0.96 -0.18 0.00 0.06 0.00 0.00 54.13 52.99 2h3k s LEU 111 Cb -0.03 0.22 0.10 0.00 -0.56 0.00 0.00 46.19 45.91 2h3k s LEU 111 CO -0.12 -0.59 0.65 -0.54 -1.06 0.00 0.00 176.35 174.69 2h3k s LYS 112 N -3.78 3.05 0.36 1.48 3.01 -0.06 -1.95 119.74 121.85 2h3k s LYS 112 Ca 0.06 -1.28 -0.26 0.00 -1.01 0.00 0.00 55.97 53.47 2h3k s LYS 112 Cb 0.07 -4.23 -0.09 0.00 -1.01 0.00 0.00 37.83 32.57 2h3k s LYS 112 CO -0.10 -1.42 1.12 0.42 0.51 0.00 0.00 175.35 175.88 2h3k s ILE 113 N 2.48 3.40 -0.18 2.17 1.09 -0.75 0.14 121.20 129.55 2h3k s ILE 113 Ca 0.11 1.23 -0.00 0.00 -1.10 0.00 0.00 60.65 60.88 2h3k s ILE 113 Cb -0.24 -3.71 0.04 0.00 -1.06 0.00 0.00 42.46 37.50 2h3k s ILE 113 CO 0.07 0.16 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.32 2h3k s VAL 114 N -1.39 1.16 0.31 2.92 1.01 -1.21 -2.43 120.40 120.76 2h3k s VAL 114 Ca 0.53 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 2h3k s VAL 114 Cb -0.29 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 34.77 2h3k s VAL 114 CO 0.37 0.09 0.73 -0.94 0.00 0.00 0.00 175.10 175.35 2h3k s SER 115 N 1.60 -0.19 -0.25 3.32 1.04 -1.23 0.14 113.70 118.13 2h3k s SER 115 Ca -0.00 -0.75 -0.02 0.00 0.48 0.00 0.00 55.95 55.66 2h3k s SER 115 Cb -0.16 0.76 0.13 0.00 0.10 0.00 0.00 66.02 66.85 2h3k s SER 115 CO -0.08 -1.43 0.31 -0.94 0.98 0.00 0.00 173.24 172.08 2h3k s SER 116 N -2.96 1.10 0.55 7.02 1.04 -1.26 -0.17 113.70 119.01 2h3k s SER 116 Ca 0.12 -0.31 0.07 0.00 0.48 0.00 0.00 55.95 56.31 2h3k s SER 116 Cb -0.06 0.69 0.05 0.00 0.10 0.00 0.00 66.02 66.80 2h3k s SER 116 CO 0.08 -0.34 0.51 0.42 0.98 0.00 0.00 173.24 174.89 2h3k s THR 117 N 2.42 1.83 -0.19 2.02 -4.23 -0.74 -3.48 115.64 113.27 2h3k s THR 117 Ca 0.10 -1.34 -0.16 0.00 -1.18 0.00 0.00 61.69 59.10 2h3k s THR 117 Cb -0.15 -2.18 0.05 0.00 1.34 0.00 0.00 72.50 71.57 2h3k s THR 117 CO -0.22 0.00 0.49 -1.58 -0.54 0.00 0.00 174.62 172.77 2h3k s GLN 118 N -4.39 0.55 -0.04 3.99 0.74 -1.19 -2.21 119.66 117.11 2h3k s GLN 118 Ca 0.42 0.74 0.06 0.00 0.05 0.00 0.00 55.36 56.63 2h3k s GLN 118 Cb -0.03 0.22 0.09 0.00 1.10 0.00 0.00 33.01 34.38 2h3k s GLN 118 CO 0.26 -0.09 0.94 -0.89 -0.55 0.00 0.00 175.29 174.97 2h3k n ILE 119 N 3.17 0.83 -1.54 -2.34 -0.00 -1.26 -4.69 119.36 113.53 2h3k n ILE 119 Ca -0.16 -0.95 -0.17 0.00 -0.00 0.00 0.00 62.75 61.48 2h3k n ILE 119 Cb 0.56 0.38 -0.07 0.00 -0.00 0.00 0.00 39.64 40.52 2h3k n ILE 119 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2h3k n ASP 120 N -0.56 -4.43 0.12 4.38 2.03 -1.26 -4.81 116.55 112.01 2h3k n ASP 120 Ca 0.05 0.39 -0.23 0.00 0.52 0.00 0.00 54.79 55.53 2h3k n ASP 120 Cb 0.52 -4.00 -0.14 0.00 -0.72 0.00 0.00 41.12 36.78 2h3k n ASP 120 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2h3k h ASP 121 N 0.00 0.81 0.00 1.67 3.58 -2.02 -3.48 116.42 116.98 2h3k h ASP 121 Ca -0.35 -0.81 0.00 0.00 0.42 0.00 0.00 57.03 56.29 2h3k h ASP 121 Cb 1.10 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.89 2h3k h ASP 121 CO 0.50 1.63 0.00 0.61 -2.88 0.00 0.00 179.24 179.10 2h3k n GLY 122 N 1.56 -1.92 3.23 -0.78 0.00 -1.26 -5.15 105.19 100.87 2h3k n GLY 122 Ca -0.15 0.53 -0.17 0.00 0.00 0.00 0.00 46.02 46.23 2h3k n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2h3k s GLU 123 N -1.01 0.99 0.15 1.61 2.12 -1.26 -5.10 118.70 116.20 2h3k s GLU 123 Ca 0.00 -1.23 -0.31 0.00 0.36 0.00 0.00 54.97 53.78 2h3k s GLU 123 Cb 0.00 -0.83 -0.11 0.00 0.26 0.00 0.00 34.13 33.45 2h3k s GLU 123 CO 0.00 0.15 1.81 -2.00 -0.54 0.00 0.00 175.26 174.69 2h3k s GLU 124 N -2.72 4.13 -0.51 4.30 2.12 -1.26 -4.82 118.70 119.93 2h3k s GLU 124 Ca 0.09 2.61 -0.25 0.00 0.36 0.00 0.00 54.97 57.78 2h3k s GLU 124 Cb -0.04 -3.45 0.03 0.00 0.26 0.00 0.00 34.13 30.93 2h3k s GLU 124 CO 0.02 -0.83 0.97 0.99 -0.54 0.00 0.00 175.26 175.87 2h3k s THR 125 N 2.33 4.38 -0.21 -1.70 2.01 -0.94 -5.01 115.64 116.51 2h3k s THR 125 Ca 0.80 0.59 -0.07 0.00 0.31 0.00 0.00 61.69 63.32 2h3k s THR 125 Cb -0.47 -4.51 -0.03 0.00 0.01 0.00 0.00 72.50 67.49 2h3k s THR 125 CO 0.35 -1.01 0.05 0.21 -0.69 0.00 0.00 174.62 173.54 2h3k s ASN 126 N 2.57 5.24 -1.14 3.53 2.47 -1.26 -1.79 114.94 124.56 2h3k s ASN 126 Ca 0.35 -0.09 -0.05 0.00 0.42 0.00 0.00 52.86 53.49 2h3k s ASN 126 Cb -0.11 -1.91 0.26 0.00 -1.45 0.00 0.00 41.25 38.05 2h3k s ASN 126 CO 0.24 0.08 1.69 -1.22 -3.72 0.00 0.00 177.10 174.17 2h3k n TYR 127 N 4.17 2.49 0.26 0.43 4.01 0.75 -4.78 117.16 124.49 2h3k n TYR 127 Ca -0.16 -2.63 0.18 0.00 -0.16 0.00 0.00 57.90 55.12 2h3k n TYR 127 Cb 0.52 -1.45 0.88 0.00 -0.31 0.00 0.00 39.34 38.97 2h3k n TYR 127 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 2h3k h ASP 128 N 5.27 0.00 -0.96 7.72 1.82 -1.89 -3.27 116.42 125.11 2h3k h ASP 128 Ca 0.33 0.00 0.10 0.00 -0.39 0.00 0.00 57.03 57.07 2h3k h ASP 128 Cb 0.55 0.00 -0.21 0.00 0.68 0.00 0.00 39.33 40.35 2h3k h ASP 128 CO 1.40 0.00 -0.25 -0.47 -1.61 0.00 0.00 179.24 178.31 2h3k s TYR 129 N -4.35 -1.55 -0.38 0.28 5.04 -1.26 -4.94 117.35 110.19 2h3k s TYR 129 Ca -0.04 1.64 -0.02 0.00 -2.44 0.00 0.00 57.07 56.21 2h3k s TYR 129 Cb 0.12 0.54 0.10 0.00 0.35 0.00 0.00 41.96 43.07 2h3k s TYR 129 CO 0.42 -0.85 0.15 0.99 -1.34 0.00 0.00 175.55 174.92 2h3k s THR 130 N 2.86 3.15 -0.96 4.34 2.01 -1.02 -4.40 115.64 121.62 2h3k s THR 130 Ca 0.20 -1.93 -0.24 0.00 0.31 0.00 0.00 61.69 60.03 2h3k s THR 130 Cb -0.15 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 2h3k s THR 130 CO -0.21 -0.55 1.74 -0.75 -0.69 0.00 0.00 174.62 174.16 2h3k s LYS 131 N 1.15 2.99 -0.55 4.92 2.20 -0.43 -1.81 119.74 128.20 2h3k s LYS 131 Ca 0.06 -0.66 -0.17 0.00 -0.36 0.00 0.00 55.97 54.84 2h3k s LYS 131 Cb -0.22 -5.19 0.12 0.00 -1.51 0.00 0.00 37.83 31.03 2h3k s LYS 131 CO -0.04 -2.90 0.55 -1.17 -0.36 0.00 0.00 175.35 171.43 2h3k s LEU 132 N 7.97 5.93 -0.44 5.43 0.20 -0.82 -1.93 118.68 135.02 2h3k s LEU 132 Ca 0.60 -1.66 -0.21 0.00 0.69 0.00 0.00 54.13 53.55 2h3k s LEU 132 Cb -0.04 -2.24 0.02 0.00 -0.43 0.00 0.00 46.19 43.51 2h3k s LEU 132 CO -0.04 -0.92 0.68 -0.69 -0.29 0.00 0.00 176.35 175.08 2h3k s VAL 133 N 1.92 4.79 0.94 1.68 1.01 -0.79 -1.35 120.40 128.58 2h3k s VAL 133 Ca 0.06 0.19 -0.14 0.00 0.00 0.00 0.00 61.98 62.09 2h3k s VAL 133 Cb -0.28 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 31.87 2h3k s VAL 133 CO 0.04 -0.62 0.26 0.49 0.00 0.00 0.00 175.10 175.26 2h3k n PHE 134 N 6.37 -1.90 0.12 5.22 3.72 0.33 -0.98 117.46 130.34 2h3k n PHE 134 Ca -0.01 0.21 -0.00 0.00 -0.05 0.00 0.00 57.45 57.60 2h3k n PHE 134 Cb 0.48 -1.75 0.05 0.00 -0.94 0.00 0.00 39.48 37.32 2h3k n PHE 134 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2h3k h ALA 135 N -1.39 0.66 -2.44 4.37 0.00 -0.66 -3.43 119.26 116.37 2h3k h ALA 135 Ca -0.44 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 53.79 2h3k h ALA 135 Cb 1.29 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 2h3k h ALA 135 CO 0.33 0.80 -0.47 0.15 0.00 0.00 0.00 179.25 180.06 2h3k s LYS 136 N -3.05 0.83 0.10 0.00 1.02 -1.26 -4.98 119.74 112.39 2h3k s LYS 136 Ca 0.02 -1.10 -0.31 0.00 0.02 0.00 0.00 55.97 54.60 2h3k s LYS 136 Cb 0.09 0.30 -0.07 0.00 -0.52 0.00 0.00 37.83 37.64 2h3k s LYS 136 CO 0.76 -0.24 1.30 -1.25 -0.92 0.00 0.00 175.35 175.00 2h3k s PRO 137 N -3.91 4.37 -1.14 -1.68 0.04 -1.26 -4.67 135.00 126.75 2h3k s PRO 137 Ca 0.09 1.95 -0.16 0.00 0.04 0.00 0.00 61.00 62.92 2h3k s PRO 137 Cb 0.06 -3.28 0.15 0.00 0.04 0.00 0.00 34.50 31.46 2h3k s PRO 137 CO -0.08 -0.35 1.38 0.42 0.04 0.00 0.00 177.00 178.41 2h3k s ILE 138 N 1.01 4.85 -0.27 0.56 -1.09 -1.02 -4.92 121.20 120.33 2h3k s ILE 138 Ca 0.62 -2.25 -0.17 0.00 -2.23 0.00 0.00 60.65 56.61 2h3k s ILE 138 Cb -0.34 -4.90 -0.03 0.00 -1.58 0.00 0.00 42.46 35.61 2h3k s ILE 138 CO 0.30 -1.63 0.47 -0.31 -1.23 0.00 0.00 174.94 172.54 2h3k s TYR 139 N 2.17 3.26 0.83 3.97 2.02 -1.26 -3.67 117.35 124.67 2h3k s TYR 139 Ca 0.41 0.56 -0.11 0.00 -0.37 0.00 0.00 57.07 57.56 2h3k s TYR 139 Cb -0.03 -2.68 0.09 0.00 -0.40 0.00 0.00 41.96 38.94 2h3k s TYR 139 CO -0.02 -0.27 1.09 0.54 -1.57 0.00 0.00 175.55 175.32 2h3k s ASN 140 N 1.58 4.07 -0.65 2.29 4.22 -1.26 -4.96 114.94 120.23 2h3k s ASN 140 Ca 0.19 1.64 -0.03 0.00 -2.14 0.00 0.00 52.86 52.52 2h3k s ASN 140 Cb -0.16 -2.34 0.17 0.00 1.28 0.00 0.00 41.25 40.20 2h3k s ASN 140 CO 0.09 -2.29 0.47 -1.81 -2.04 0.00 0.00 177.10 171.52 2h3k s ASP 141 N -3.44 5.29 0.39 3.54 1.11 -1.26 -4.89 116.67 117.40 2h3k s ASP 141 Ca 0.62 -2.91 0.28 0.00 0.18 0.00 0.00 52.55 50.72 2h3k s ASP 141 Cb -0.17 -1.86 1.04 0.00 1.07 0.00 0.00 42.92 43.00 2h3k s ASP 141 CO 0.56 -0.36 1.82 1.55 1.18 0.00 0.00 175.17 179.92 2h3k h PRO 142 N 6.97 0.00 0.00 8.23 0.13 -1.90 -3.26 132.00 142.17 2h3k h PRO 142 Ca -0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 2h3k h PRO 142 Cb 0.95 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 2h3k h PRO 142 CO 0.72 0.00 -1.10 0.43 -0.23 0.00 0.00 178.00 177.81 2h3k n SER 143 N -2.67 4.55 0.00 1.44 7.64 -1.26 -5.10 113.62 118.22 2h3k n SER 143 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2h3k n SER 143 Cb 0.32 0.87 0.00 0.00 -1.01 0.00 0.00 64.21 64.39 2h3k n SER 143 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92