#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bkz n ASN 2 N 0.00 2.04 0.00 4.04 2.04 -1.26 -4.96 115.26 117.16 1bkz n ASN 2 Ca 0.00 0.05 0.00 0.00 -0.44 0.00 0.00 54.58 54.19 1bkz n ASN 2 Cb 0.00 -0.44 0.00 0.00 -2.53 0.00 0.00 39.78 36.81 1bkz n ASN 2 CO 0.00 0.00 0.00 0.55 -0.44 0.00 0.00 177.26 177.37 1bkz n VAL 3 N -3.45 0.00 -3.04 3.53 3.14 -1.26 -4.89 118.33 112.36 1bkz n VAL 3 Ca -0.37 0.00 -0.44 0.00 -2.96 0.00 0.00 64.34 60.57 1bkz n VAL 3 Cb 0.83 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.61 1bkz n VAL 3 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1bkz n PRO 4 N -1.17 3.47 -1.99 1.45 -0.05 -1.26 -4.58 135.00 130.87 1bkz n PRO 4 Ca 0.00 -4.04 -0.42 0.00 -0.05 0.00 0.00 63.50 58.99 1bkz n PRO 4 Cb 0.00 -2.87 -0.03 0.00 -0.05 0.00 0.00 33.50 30.56 1bkz n PRO 4 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 175.50 173.87 1bkz s HIS 5 N 0.47 3.06 -0.05 0.54 2.46 0.12 -4.84 115.29 117.04 1bkz s HIS 5 Ca 0.39 0.83 0.02 0.00 0.47 0.00 0.00 55.06 56.76 1bkz s HIS 5 Cb -0.04 -3.86 0.02 0.00 -0.13 0.00 0.00 32.58 28.57 1bkz s HIS 5 CO -0.02 -3.00 -0.08 0.15 -2.47 0.00 0.00 174.74 169.32 1bkz s LYS 6 N 0.46 1.19 -0.11 2.88 3.01 -1.26 0.01 119.74 125.92 1bkz s LYS 6 Ca 0.65 -0.24 -0.00 0.00 -1.01 0.00 0.00 55.97 55.37 1bkz s LYS 6 Cb -0.42 -1.07 0.02 0.00 -1.01 0.00 0.00 37.83 35.35 1bkz s LYS 6 CO 0.37 -0.03 -0.08 -1.12 0.51 0.00 0.00 175.35 174.99 1bkz s SER 7 N 0.78 2.11 0.18 2.83 0.01 -0.15 -4.99 113.70 114.46 1bkz s SER 7 Ca -0.13 -0.30 -0.18 0.00 1.31 0.00 0.00 55.95 56.65 1bkz s SER 7 Cb -0.15 -0.84 -0.08 0.00 0.21 0.00 0.00 66.02 65.17 1bkz s SER 7 CO 0.02 -0.10 0.65 -0.55 0.41 0.00 0.00 173.24 173.67 1bkz s SER 8 N 1.55 6.99 -0.59 2.44 0.15 -1.26 -0.78 113.70 122.20 1bkz s SER 8 Ca 0.02 1.30 0.05 0.00 0.70 0.00 0.00 55.95 58.01 1bkz s SER 8 Cb -0.13 -2.37 0.18 0.00 -1.71 0.00 0.00 66.02 61.98 1bkz s SER 8 CO -0.07 0.09 0.46 0.18 1.20 0.00 0.00 173.24 175.10 1bkz n LEU 9 N 0.90 1.77 -0.24 3.45 4.77 0.54 -4.96 117.00 123.23 1bkz n LEU 9 Ca -0.04 -4.92 0.05 0.00 -0.03 0.00 0.00 56.01 51.06 1bkz n LEU 9 Cb 0.51 -0.26 0.16 0.00 -2.33 0.00 0.00 43.42 41.51 1bkz n LEU 9 CO 0.43 1.82 0.89 -0.65 -1.33 0.00 0.00 177.39 178.55 1bkz h PRO 10 N 5.35 0.19 -0.15 3.23 0.11 -1.92 0.38 132.00 139.19 1bkz h PRO 10 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1bkz h PRO 10 Cb 0.80 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1bkz h PRO 10 CO 0.60 0.13 0.00 0.39 -0.21 0.00 0.00 178.00 178.91 1bkz n GLU 11 N -5.22 1.70 0.00 1.05 1.02 -1.26 -5.05 120.64 112.88 1bkz n GLU 11 Ca 0.13 -1.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.22 1bkz n GLU 11 Cb 0.45 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1bkz n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bkz n GLY 12 N 1.12 -1.25 3.19 0.62 0.00 0.12 -4.93 105.19 104.06 1bkz n GLY 12 Ca 0.16 -1.24 -0.16 0.00 0.00 0.00 0.00 46.02 44.78 1bkz n GLY 12 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bkz s ILE 13 N 0.00 1.09 0.26 -0.61 -4.36 -1.26 -4.96 121.20 111.37 1bkz s ILE 13 Ca 0.00 -1.56 0.04 0.00 -0.26 0.00 0.00 60.65 58.86 1bkz s ILE 13 Cb 0.00 -1.32 -0.06 0.00 1.25 0.00 0.00 42.46 42.34 1bkz s ILE 13 CO 0.00 -0.42 0.02 -0.13 0.24 0.00 0.00 174.94 174.64 1bkz s ARG 14 N -2.45 1.45 0.14 0.37 0.52 -1.26 -4.43 118.95 113.28 1bkz s ARG 14 Ca 0.04 -1.76 -0.35 0.00 -0.52 0.00 0.00 55.73 53.14 1bkz s ARG 14 Cb -0.06 -0.69 -0.15 0.00 0.52 0.00 0.00 34.95 34.57 1bkz s ARG 14 CO 0.02 -0.13 1.52 -2.30 0.02 0.00 0.00 175.30 174.42 1bkz n PRO 15 N -0.51 1.88 0.00 3.54 -0.02 -1.26 -1.80 135.00 136.83 1bkz n PRO 15 Ca -0.04 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1bkz n PRO 15 Cb 0.65 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1bkz n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bkz n GLY 16 N 3.19 1.11 3.78 -1.23 0.00 0.00 -4.97 105.19 107.08 1bkz n GLY 16 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1bkz n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bkz s THR 17 N -2.00 5.09 -0.10 2.61 2.01 -0.74 -4.96 115.64 117.55 1bkz s THR 17 Ca 0.00 0.88 0.03 0.00 0.31 0.00 0.00 61.69 62.91 1bkz s THR 17 Cb 0.00 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.76 1bkz s THR 17 CO 0.00 0.47 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.50 1bkz s VAL 18 N -0.35 1.85 -0.22 3.82 1.01 0.13 -1.50 120.40 125.14 1bkz s VAL 18 Ca 0.24 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 1bkz s VAL 18 Cb -0.16 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1bkz s VAL 18 CO 0.12 0.51 -0.01 -0.76 0.00 0.00 0.00 175.10 174.96 1bkz s LEU 19 N 0.52 3.10 -0.22 3.92 1.02 -0.49 -0.00 118.68 126.53 1bkz s LEU 19 Ca -0.15 -0.31 -0.02 0.00 0.02 0.00 0.00 54.13 53.67 1bkz s LEU 19 Cb -0.17 -1.80 0.01 0.00 0.02 0.00 0.00 46.19 44.25 1bkz s LEU 19 CO 0.06 -0.01 -0.09 -0.60 0.02 0.00 0.00 176.35 175.73 1bkz s ARG 20 N 1.42 3.07 -0.15 1.70 3.52 -0.18 -1.05 118.95 127.29 1bkz s ARG 20 Ca 0.05 -0.81 0.02 0.00 -0.13 0.00 0.00 55.73 54.86 1bkz s ARG 20 Cb -0.15 -2.89 0.01 0.00 -1.56 0.00 0.00 34.95 30.37 1bkz s ARG 20 CO -0.00 -0.28 -0.21 0.42 -0.81 0.00 0.00 175.30 174.42 1bkz s ILE 21 N 1.37 1.99 0.04 4.11 1.01 -0.14 -1.23 121.20 128.36 1bkz s ILE 21 Ca 0.03 -0.93 0.09 0.00 0.00 0.00 0.00 60.65 59.84 1bkz s ILE 21 Cb -0.15 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 1bkz s ILE 21 CO -0.06 0.54 -0.25 -0.13 0.00 0.00 0.00 174.94 175.03 1bkz s ARG 22 N 0.96 1.72 -0.00 2.79 0.52 -0.26 -0.70 118.95 123.98 1bkz s ARG 22 Ca -0.04 -1.04 -0.04 0.00 -0.52 0.00 0.00 55.73 54.09 1bkz s ARG 22 Cb -0.15 -1.85 0.01 0.00 0.52 0.00 0.00 34.95 33.48 1bkz s ARG 22 CO -0.05 0.48 0.16 0.41 0.02 0.00 0.00 175.30 176.33 1bkz n GLY 23 N 1.87 0.64 3.23 -3.53 0.00 -0.98 -0.37 105.19 106.05 1bkz n GLY 23 Ca -0.17 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1bkz n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bkz s LEU 24 N 0.00 2.02 -0.37 0.99 2.96 0.03 -0.83 118.68 123.49 1bkz s LEU 24 Ca 0.04 -0.42 -0.20 0.00 -0.22 0.00 0.00 54.13 53.33 1bkz s LEU 24 Cb -0.00 -1.16 0.00 0.00 0.50 0.00 0.00 46.19 45.53 1bkz s LEU 24 CO -0.00 0.24 0.61 -0.69 -1.32 0.00 0.00 176.35 175.19 1bkz s VAL 25 N -0.30 4.91 1.03 1.68 1.01 -1.09 -1.01 120.40 126.63 1bkz s VAL 25 Ca 0.03 0.47 -0.12 0.00 0.00 0.00 0.00 61.98 62.35 1bkz s VAL 25 Cb -0.11 -4.07 0.21 0.00 0.00 0.00 0.00 36.38 32.41 1bkz s VAL 25 CO 0.01 -0.33 1.08 -2.16 0.00 0.00 0.00 175.10 173.69 1bkz s PRO 26 N 2.66 0.17 0.30 2.72 0.04 -1.26 -0.57 135.00 139.06 1bkz s PRO 26 Ca 0.23 1.05 0.04 0.00 0.04 0.00 0.00 61.00 62.36 1bkz s PRO 26 Cb -0.15 -1.66 0.79 0.00 0.04 0.00 0.00 34.50 33.52 1bkz s PRO 26 CO 0.15 -3.05 1.61 -1.35 0.04 0.00 0.00 177.00 174.40 1bkz h PRO 27 N -2.15 0.11 -0.05 0.56 0.11 -1.95 -2.76 132.00 125.87 1bkz h PRO 27 Ca -0.53 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 1bkz h PRO 27 Cb 1.30 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1bkz h PRO 27 CO 0.49 0.07 -0.29 0.09 -0.21 0.00 0.00 178.00 178.15 1bkz n ASN 28 N -5.32 2.07 -4.60 -2.05 3.02 -1.26 -4.70 115.26 102.42 1bkz n ASN 28 Ca 0.24 -3.62 -0.45 0.00 -0.03 0.00 0.00 54.58 50.72 1bkz n ASN 28 Cb 0.77 -0.51 -0.02 0.00 -0.61 0.00 0.00 39.78 39.41 1bkz n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bkz n ALA 29 N -1.19 -0.16 -0.12 5.41 0.00 -1.04 -4.94 120.51 118.47 1bkz n ALA 29 Ca 0.20 0.39 -0.21 0.00 0.00 0.00 0.00 53.44 53.82 1bkz n ALA 29 Cb 0.72 -2.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.07 1bkz n ALA 29 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bkz n SER 30 N 1.28 1.95 -3.54 0.00 7.64 -1.26 -4.50 113.62 115.18 1bkz n SER 30 Ca 0.10 0.34 -0.08 0.00 1.01 0.00 0.00 58.87 60.23 1bkz n SER 30 Cb 0.32 -0.78 -0.02 0.00 -1.01 0.00 0.00 64.21 62.71 1bkz n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bkz s ARG 31 N -2.68 0.91 0.25 1.43 1.70 -1.26 0.16 118.95 119.46 1bkz s ARG 31 Ca -0.35 -0.37 -0.05 0.00 -0.47 0.00 0.00 55.73 54.49 1bkz s ARG 31 Cb 0.10 0.40 -0.02 0.00 -0.57 0.00 0.00 34.95 34.86 1bkz s ARG 31 CO 0.46 -0.40 0.33 -0.59 -1.08 0.00 0.00 175.30 174.02 1bkz s PHE 32 N -3.19 0.87 0.07 5.89 -0.71 -1.05 -1.06 117.98 118.81 1bkz s PHE 32 Ca 0.06 -1.13 -0.10 0.00 -1.04 0.00 0.00 56.93 54.72 1bkz s PHE 32 Cb -0.01 -0.20 0.01 0.00 -1.21 0.00 0.00 43.02 41.60 1bkz s PHE 32 CO -0.07 -0.87 0.22 -3.38 -1.34 0.00 0.00 175.22 169.78 1bkz s HIS 33 N -3.88 0.06 -0.14 3.49 -3.43 -0.23 -2.96 115.29 108.20 1bkz s HIS 33 Ca 0.31 -0.38 -0.00 0.00 -0.80 0.00 0.00 55.06 54.19 1bkz s HIS 33 Cb 0.03 -0.01 0.03 0.00 -1.43 0.00 0.00 32.58 31.20 1bkz s HIS 33 CO 0.13 -0.51 -0.07 0.08 -2.00 0.00 0.00 174.74 172.37 1bkz s VAL 34 N -3.27 1.12 -0.06 -5.38 1.01 -0.28 -1.55 120.40 111.97 1bkz s VAL 34 Ca 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1bkz s VAL 34 Cb 0.02 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1bkz s VAL 34 CO -0.08 0.26 -0.15 0.20 0.00 0.00 0.00 175.10 175.33 1bkz s ASN 35 N 1.65 3.98 -0.48 3.32 0.01 0.47 -0.87 114.94 123.02 1bkz s ASN 35 Ca 0.03 -0.23 -0.05 0.00 -0.71 0.00 0.00 52.86 51.89 1bkz s ASN 35 Cb -0.14 -0.99 0.13 0.00 0.41 0.00 0.00 41.25 40.66 1bkz s ASN 35 CO -0.08 0.31 0.31 -0.76 -1.51 0.00 0.00 177.10 175.37 1bkz s LEU 36 N -0.50 5.45 0.30 0.60 1.43 0.60 -1.22 118.68 125.33 1bkz s LEU 36 Ca 0.07 -2.17 -0.02 0.00 -1.03 0.00 0.00 54.13 50.97 1bkz s LEU 36 Cb -0.12 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1bkz s LEU 36 CO 0.02 -0.56 0.53 -0.76 0.23 0.00 0.00 176.35 175.80 1bkz s LEU 37 N 0.95 4.06 0.00 1.79 1.43 0.06 -0.52 118.68 126.46 1bkz s LEU 37 Ca 0.09 0.57 0.24 0.00 -1.03 0.00 0.00 54.13 54.00 1bkz s LEU 37 Cb -0.23 -3.40 0.38 0.00 0.03 0.00 0.00 46.19 42.97 1bkz s LEU 37 CO -0.03 -0.22 1.32 0.00 0.23 0.00 0.00 176.35 177.66 1bkz n GLY 39 N 1.42 0.93 0.01 0.00 0.00 -1.26 -4.43 105.19 101.86 1bkz n GLY 39 Ca 0.09 -1.20 0.11 0.00 0.00 0.00 0.00 46.02 45.01 1bkz n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bkz n GLU 40 N -0.55 0.11 -2.02 1.61 1.02 -1.26 -4.80 120.64 114.75 1bkz n GLU 40 Ca -0.06 -0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.71 1bkz n GLU 40 Cb 0.54 -1.53 0.02 0.00 -0.02 0.00 0.00 31.44 30.45 1bkz n GLU 40 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1bkz s GLU 41 N -3.08 3.23 0.32 3.49 1.03 -1.26 -4.96 118.70 117.47 1bkz s GLU 41 Ca 0.07 1.92 -0.29 0.00 0.03 0.00 0.00 54.97 56.70 1bkz s GLU 41 Cb 0.16 -2.14 -0.10 0.00 -0.80 0.00 0.00 34.13 31.24 1bkz s GLU 41 CO 0.79 -1.03 1.33 -0.65 -1.33 0.00 0.00 175.26 174.37 1bkz s GLN 42 N -3.05 4.34 -0.27 -4.83 -0.21 -1.26 -2.36 119.66 112.02 1bkz s GLN 42 Ca 0.72 2.23 0.00 0.00 0.02 0.00 0.00 55.36 58.33 1bkz s GLN 42 Cb -0.33 -3.08 0.00 0.00 1.00 0.00 0.00 33.01 30.61 1bkz s GLN 42 CO 0.37 -0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.72 1bkz n GLY 43 N 1.02 0.59 3.60 3.09 0.00 -1.26 -5.00 105.19 107.23 1bkz n GLY 43 Ca 0.01 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 1bkz n GLY 43 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bkz n SER 44 N 0.99 -0.10 -4.73 1.61 2.88 -1.00 -4.71 113.62 108.56 1bkz n SER 44 Ca -0.03 0.47 -0.35 0.00 -1.33 0.00 0.00 58.87 57.63 1bkz n SER 44 Cb 0.11 -1.41 0.08 0.00 -0.75 0.00 0.00 64.21 62.23 1bkz n SER 44 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1bkz s ASP 45 N -2.24 4.49 -0.12 -3.46 1.11 -1.26 -4.83 116.67 110.35 1bkz s ASP 45 Ca 0.67 2.38 -0.01 0.00 0.18 0.00 0.00 52.55 55.77 1bkz s ASP 45 Cb -0.25 -2.59 0.03 0.00 1.07 0.00 0.00 42.92 41.17 1bkz s ASP 45 CO 0.58 -2.07 -0.07 0.00 1.18 0.00 0.00 175.17 174.80 1bkz s ALA 46 N -1.84 1.31 0.27 5.23 0.00 0.90 -1.38 121.76 126.26 1bkz s ALA 46 Ca 0.76 -0.57 0.08 0.00 0.00 0.00 0.00 51.96 52.23 1bkz s ALA 46 Cb -0.30 -0.94 0.37 0.00 0.00 0.00 0.00 23.12 22.25 1bkz s ALA 46 CO 0.42 -0.48 1.63 0.00 0.00 0.00 0.00 175.76 177.33 1bkz h ALA 47 N 8.18 0.99 -2.63 0.00 0.00 -1.06 -1.27 119.26 123.47 1bkz h ALA 47 Ca -0.28 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.00 1bkz h ALA 47 Cb 1.13 -0.09 -0.25 0.00 0.00 0.00 0.00 17.79 18.58 1bkz h ALA 47 CO 0.40 0.70 -0.25 -1.17 0.00 0.00 0.00 179.25 178.93 1bkz s LEU 48 N -7.86 0.02 -0.23 0.00 2.96 -1.20 -4.71 118.68 107.66 1bkz s LEU 48 Ca -0.03 0.91 -0.00 0.00 -0.22 0.00 0.00 54.13 54.79 1bkz s LEU 48 Cb 0.13 1.44 0.06 0.00 0.50 0.00 0.00 46.19 48.32 1bkz s LEU 48 CO 0.77 -0.18 -0.03 -2.28 -1.32 0.00 0.00 176.35 173.31 1bkz s HIS 49 N 1.01 2.05 -0.28 5.38 5.65 0.02 -0.30 115.29 128.82 1bkz s HIS 49 Ca -0.06 -1.55 -0.09 0.00 0.25 0.00 0.00 55.06 53.61 1bkz s HIS 49 Cb -0.06 -1.46 -0.02 0.00 -1.18 0.00 0.00 32.58 29.86 1bkz s HIS 49 CO -0.08 -0.74 0.12 0.12 -0.65 0.00 0.00 174.74 173.51 1bkz s PHE 50 N 1.51 3.15 -0.48 3.88 5.36 -0.04 -1.42 117.98 129.94 1bkz s PHE 50 Ca -0.04 -0.40 0.03 0.00 -0.96 0.00 0.00 56.93 55.56 1bkz s PHE 50 Cb -0.18 -2.31 0.15 0.00 -0.34 0.00 0.00 43.02 40.34 1bkz s PHE 50 CO -0.07 -0.37 0.31 1.21 -1.46 0.00 0.00 175.22 174.84 1bkz s ASN 51 N 1.64 3.23 0.01 6.13 3.04 0.12 -1.13 114.94 127.97 1bkz s ASN 51 Ca 0.06 -2.94 -0.30 0.00 0.04 0.00 0.00 52.86 49.71 1bkz s ASN 51 Cb -0.16 -0.93 -0.06 0.00 -1.54 0.00 0.00 41.25 38.56 1bkz s ASN 51 CO 0.06 -0.21 1.48 -2.84 -3.04 0.00 0.00 177.10 172.55 1bkz s PRO 52 N -0.01 4.25 -0.40 0.43 0.02 -1.16 -1.81 135.00 136.33 1bkz s PRO 52 Ca 0.23 2.07 -0.04 0.00 0.02 0.00 0.00 61.00 63.28 1bkz s PRO 52 Cb -0.13 -3.62 0.10 0.00 0.02 0.00 0.00 34.50 30.87 1bkz s PRO 52 CO -0.08 -0.64 0.20 1.03 -0.33 0.00 0.00 177.00 177.17 1bkz s ARG 53 N 2.63 2.12 0.26 5.54 0.52 0.12 -2.53 118.95 127.61 1bkz s ARG 53 Ca 0.67 -1.74 0.08 0.00 -0.52 0.00 0.00 55.73 54.23 1bkz s ARG 53 Cb -0.33 -3.58 0.33 0.00 0.52 0.00 0.00 34.95 31.89 1bkz s ARG 53 CO 0.28 -1.03 1.60 -0.07 0.02 0.00 0.00 175.30 176.10 1bkz h LEU 54 N 8.10 0.09 -1.23 2.53 -0.00 -0.54 0.12 115.31 124.38 1bkz h LEU 54 Ca -0.15 -0.05 -0.07 0.00 -0.00 0.00 0.00 57.88 57.61 1bkz h LEU 54 Cb 1.05 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.68 1bkz h LEU 54 CO 0.70 0.68 -0.33 -2.24 -0.00 0.00 0.00 178.44 177.24 1bkz h ASP 55 N 0.06 0.00 -0.01 -0.43 3.04 -1.41 -3.20 116.42 114.47 1bkz h ASP 55 Ca -0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 1bkz h ASP 55 Cb 1.08 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.37 1bkz h ASP 55 CO 0.08 0.33 -0.04 0.35 -2.04 0.00 0.00 179.24 177.93 1bkz n THR 56 N -3.74 0.00 -3.37 1.15 -2.24 -1.17 -5.04 114.28 99.87 1bkz n THR 56 Ca -0.01 -0.48 -0.17 0.00 -2.27 0.00 0.00 64.05 61.12 1bkz n THR 56 Cb 0.43 1.13 0.08 0.00 -2.10 0.00 0.00 70.33 69.86 1bkz n THR 56 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1bkz n SER 57 N 0.21 -4.16 -3.79 3.42 7.64 0.37 -5.04 113.62 112.26 1bkz n SER 57 Ca 0.04 -0.68 -0.11 0.00 1.01 0.00 0.00 58.87 59.13 1bkz n SER 57 Cb 0.17 -5.09 -0.08 0.00 -1.01 0.00 0.00 64.21 58.21 1bkz n SER 57 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1bkz s GLU 58 N -4.96 0.76 -0.21 1.43 2.02 -0.95 -4.72 118.70 112.08 1bkz s GLU 58 Ca 0.22 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.65 1bkz s GLU 58 Cb -0.03 0.32 0.04 0.00 0.10 0.00 0.00 34.13 34.56 1bkz s GLU 58 CO 0.74 -0.24 -0.15 0.08 0.02 0.00 0.00 175.26 175.72 1bkz s VAL 59 N -2.61 1.97 -0.12 2.63 1.01 -1.26 0.12 120.40 122.15 1bkz s VAL 59 Ca -0.05 -1.14 -0.04 0.00 0.00 0.00 0.00 61.98 60.75 1bkz s VAL 59 Cb -0.01 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1bkz s VAL 59 CO -0.04 0.29 0.05 -0.69 0.00 0.00 0.00 175.10 174.71 1bkz s VAL 60 N 1.27 4.68 -0.05 2.92 1.01 -0.75 -1.65 120.40 127.83 1bkz s VAL 60 Ca -0.00 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 61.94 1bkz s VAL 60 Cb -0.16 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 1bkz s VAL 60 CO -0.09 0.57 -0.23 -0.36 0.00 0.00 0.00 175.10 174.98 1bkz s PHE 61 N -0.58 2.26 0.35 5.22 0.40 -0.22 0.14 117.98 125.54 1bkz s PHE 61 Ca 0.11 -0.64 -0.14 0.00 -0.60 0.00 0.00 56.93 55.65 1bkz s PHE 61 Cb -0.12 -1.49 0.04 0.00 0.51 0.00 0.00 43.02 41.96 1bkz s PHE 61 CO 0.02 -0.19 0.70 1.21 0.70 0.00 0.00 175.22 177.67 1bkz s ASN 62 N -0.17 0.09 0.17 1.36 3.84 -0.51 -0.90 114.94 118.81 1bkz s ASN 62 Ca -0.02 -1.07 0.02 0.00 0.21 0.00 0.00 52.86 52.00 1bkz s ASN 62 Cb -0.13 0.78 -0.05 0.00 -0.55 0.00 0.00 41.25 41.30 1bkz s ASN 62 CO 0.03 -1.52 -0.01 -0.94 -2.79 0.00 0.00 177.10 171.87 1bkz s SER 63 N -3.06 1.28 -0.06 -4.21 1.04 -1.26 -0.80 113.70 106.63 1bkz s SER 63 Ca 0.17 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1bkz s SER 63 Cb -0.04 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.20 1bkz s SER 63 CO 0.12 -0.54 -0.03 -0.75 0.98 0.00 0.00 173.24 173.01 1bkz s LYS 64 N -3.90 0.83 -0.05 4.02 2.20 -0.48 -1.20 119.74 121.17 1bkz s LYS 64 Ca 0.23 -0.06 -0.01 0.00 -0.36 0.00 0.00 55.97 55.76 1bkz s LYS 64 Cb 0.06 -0.94 0.03 0.00 -1.51 0.00 0.00 37.83 35.47 1bkz s LYS 64 CO 0.03 -0.15 0.03 -2.00 -0.36 0.00 0.00 175.35 172.90 1bkz s GLU 65 N 1.26 0.25 -1.29 4.03 2.56 -0.57 -0.07 118.70 124.87 1bkz s GLU 65 Ca -0.06 0.22 -0.07 0.00 0.00 0.00 0.00 54.97 55.06 1bkz s GLU 65 Cb -0.14 -0.68 0.01 0.00 2.00 0.00 0.00 34.13 35.32 1bkz s GLU 65 CO -0.02 -0.28 0.98 1.04 -0.56 0.00 0.00 175.26 176.42 1bkz n GLN 66 N 5.02 -6.76 -0.19 4.30 1.13 -1.26 -2.73 117.38 116.89 1bkz n GLN 66 Ca -0.09 0.78 0.00 0.00 -1.94 0.00 0.00 57.00 55.75 1bkz n GLN 66 Cb 0.50 -5.61 0.00 0.00 0.11 0.00 0.00 30.24 25.24 1bkz n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bkz n GLY 67 N -1.81 2.00 3.25 1.08 0.00 -1.26 -5.02 105.19 103.44 1bkz n GLY 67 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1bkz n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bkz s SER 68 N -3.43 2.63 0.50 1.61 1.04 -1.10 -5.12 113.70 109.82 1bkz s SER 68 Ca 0.00 -0.42 -0.20 0.00 0.48 0.00 0.00 55.95 55.81 1bkz s SER 68 Cb 0.00 -0.28 -0.08 0.00 0.10 0.00 0.00 66.02 65.76 1bkz s SER 68 CO 0.00 0.26 1.06 0.26 0.98 0.00 0.00 173.24 175.81 1bkz s TRP 69 N -0.56 2.91 0.00 5.02 0.52 -1.26 -1.52 118.94 124.05 1bkz s TRP 69 Ca 0.09 1.57 0.00 0.00 0.02 0.00 0.00 56.10 57.78 1bkz s TRP 69 Cb -0.09 -3.13 0.00 0.00 -1.15 0.00 0.00 33.47 29.10 1bkz s TRP 69 CO -0.00 -1.03 0.00 0.41 0.02 0.00 0.00 176.95 176.34 1bkz n GLY 70 N -0.12 0.61 3.71 0.98 0.00 -0.34 -4.92 105.19 105.11 1bkz n GLY 70 Ca 0.10 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 1bkz n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bkz s ARG 71 N 0.51 4.48 0.39 1.61 3.52 -1.26 -4.85 118.95 123.35 1bkz s ARG 71 Ca 0.00 1.09 -0.26 0.00 -0.13 0.00 0.00 55.73 56.43 1bkz s ARG 71 Cb 0.00 -3.46 -0.09 0.00 -1.56 0.00 0.00 34.95 29.85 1bkz s ARG 71 CO 0.00 0.01 1.18 -1.21 -0.81 0.00 0.00 175.30 174.46 1bkz s GLU 72 N 0.93 4.12 -0.02 5.12 2.02 -1.26 -4.78 118.70 124.83 1bkz s GLU 72 Ca 0.43 1.87 0.05 0.00 0.02 0.00 0.00 54.97 57.34 1bkz s GLU 72 Cb -0.19 -2.75 -0.03 0.00 0.10 0.00 0.00 34.13 31.27 1bkz s GLU 72 CO 0.22 -0.27 -0.16 -1.21 0.02 0.00 0.00 175.26 173.85 1bkz s GLU 73 N -2.19 2.36 -0.03 1.61 2.02 -0.08 -4.97 118.70 117.41 1bkz s GLU 73 Ca 0.55 -0.79 0.04 0.00 0.02 0.00 0.00 54.97 54.80 1bkz s GLU 73 Cb -0.32 -2.30 -0.03 0.00 0.10 0.00 0.00 34.13 31.59 1bkz s GLU 73 CO 0.40 0.60 -0.14 1.03 0.02 0.00 0.00 175.26 177.16 1bkz s ARG 74 N -0.91 2.44 0.70 1.61 0.52 -1.26 -1.06 118.95 120.99 1bkz s ARG 74 Ca 0.12 -0.74 -0.06 0.00 -0.52 0.00 0.00 55.73 54.53 1bkz s ARG 74 Cb -0.11 -2.36 0.06 0.00 0.52 0.00 0.00 34.95 33.07 1bkz s ARG 74 CO 0.02 0.61 1.00 0.20 0.02 0.00 0.00 175.30 177.15 1bkz s GLY 75 N -0.88 1.70 -1.00 -3.53 0.00 -0.66 -4.98 107.32 97.97 1bkz s GLY 75 Ca 0.12 -0.99 -0.23 0.00 0.00 0.00 0.00 44.72 43.62 1bkz s GLY 75 CO 0.02 -0.58 1.60 2.56 0.00 0.00 0.00 173.10 176.69 1bkz s PRO 76 N -5.22 3.31 0.12 2.90 0.04 -1.26 -4.69 135.00 130.20 1bkz s PRO 76 Ca 0.60 -0.92 0.00 0.00 0.04 0.00 0.00 61.00 60.73 1bkz s PRO 76 Cb -0.10 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.15 1bkz s PRO 76 CO 0.44 -2.55 0.00 0.41 0.04 0.00 0.00 177.00 175.35 1bkz n GLY 77 N 6.84 -2.21 3.14 0.56 0.00 -1.26 -4.81 105.19 107.45 1bkz n GLY 77 Ca 0.35 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 1bkz n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bkz s VAL 78 N -1.05 3.61 -0.16 1.61 1.01 -1.26 -4.48 120.40 119.67 1bkz s VAL 78 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 61.98 59.86 1bkz s VAL 78 Cb 0.00 -3.43 0.14 0.00 0.00 0.00 0.00 36.38 33.10 1bkz s VAL 78 CO 0.00 -0.74 1.73 -0.81 0.00 0.00 0.00 175.10 175.27 1bkz n PRO 79 N 4.51 1.41 -4.11 2.72 -0.04 -1.26 -4.80 135.00 133.43 1bkz n PRO 79 Ca -0.02 -0.85 -0.13 0.00 -0.04 0.00 0.00 63.50 62.46 1bkz n PRO 79 Cb 0.41 -1.33 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 1bkz n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1bkz s PHE 80 N -0.97 0.79 -0.07 0.54 0.08 -1.26 -4.90 117.98 112.19 1bkz s PHE 80 Ca 0.17 -0.63 -0.15 0.00 0.12 0.00 0.00 56.93 56.44 1bkz s PHE 80 Cb 0.13 -0.46 0.03 0.00 -0.57 0.00 0.00 43.02 42.15 1bkz s PHE 80 CO 0.01 -0.09 0.36 1.14 -0.10 0.00 0.00 175.22 176.54 1bkz s GLN 81 N -2.34 0.59 0.38 0.44 -2.07 -1.26 -5.07 119.66 110.32 1bkz s GLN 81 Ca -0.02 0.16 -0.28 0.00 -1.82 0.00 0.00 55.36 53.40 1bkz s GLN 81 Cb -0.05 0.27 -0.11 0.00 -1.09 0.00 0.00 33.01 32.03 1bkz s GLN 81 CO -0.01 -0.13 1.50 1.03 -1.32 0.00 0.00 175.29 176.36 1bkz s ARG 82 N -0.63 4.09 -0.03 9.60 0.52 -1.26 -2.10 118.95 129.14 1bkz s ARG 82 Ca -0.07 2.60 0.00 0.00 -0.52 0.00 0.00 55.73 57.73 1bkz s ARG 82 Cb -0.04 -2.96 0.00 0.00 0.52 0.00 0.00 34.95 32.47 1bkz s ARG 82 CO 0.03 -0.56 0.00 0.41 0.02 0.00 0.00 175.30 175.20 1bkz n GLY 83 N 0.49 0.47 3.08 -3.53 0.00 0.27 -4.89 105.19 101.07 1bkz n GLY 83 Ca 0.01 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 1bkz n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bkz s GLN 84 N -0.55 1.21 0.80 1.61 -1.52 -0.89 -4.97 119.66 115.35 1bkz s GLN 84 Ca 0.00 -0.46 -0.12 0.00 -1.95 0.00 0.00 55.36 52.83 1bkz s GLN 84 Cb 0.00 -1.13 0.07 0.00 -0.22 0.00 0.00 33.01 31.73 1bkz s GLN 84 CO 0.00 0.23 1.10 -1.25 -0.25 0.00 0.00 175.29 175.13 1bkz s PRO 85 N -0.11 2.07 0.18 2.91 0.04 -1.26 -2.65 135.00 136.18 1bkz s PRO 85 Ca 0.01 0.60 -0.13 0.00 0.04 0.00 0.00 61.00 61.52 1bkz s PRO 85 Cb -0.07 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.55 1bkz s PRO 85 CO 0.00 -1.62 0.40 -0.59 0.04 0.00 0.00 177.00 175.23 1bkz s PHE 86 N -3.18 0.19 -0.04 0.56 -0.12 -0.01 -4.92 117.98 110.45 1bkz s PHE 86 Ca 0.61 -0.54 -0.01 0.00 -0.05 0.00 0.00 56.93 56.93 1bkz s PHE 86 Cb -0.14 0.14 0.03 0.00 -0.63 0.00 0.00 43.02 42.42 1bkz s PHE 86 CO 0.54 -0.82 0.03 -2.00 -0.05 0.00 0.00 175.22 172.92 1bkz s GLU 87 N -3.93 0.11 -0.07 1.99 2.12 -1.26 -2.32 118.70 115.35 1bkz s GLU 87 Ca 0.14 0.23 0.05 0.00 0.36 0.00 0.00 54.97 55.75 1bkz s GLU 87 Cb 0.01 -0.51 -0.00 0.00 0.26 0.00 0.00 34.13 33.89 1bkz s GLU 87 CO -0.00 -0.25 -0.22 0.08 -0.54 0.00 0.00 175.26 174.33 1bkz s VAL 88 N 1.64 1.85 -0.13 3.70 1.01 0.13 -2.51 120.40 126.09 1bkz s VAL 88 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1bkz s VAL 88 Cb -0.13 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 1bkz s VAL 88 CO -0.03 0.52 -0.15 -0.76 0.00 0.00 0.00 175.10 174.68 1bkz s LEU 89 N 0.06 2.61 -0.28 3.92 1.43 -0.07 -0.96 118.68 125.39 1bkz s LEU 89 Ca -0.08 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1bkz s LEU 89 Cb -0.14 -1.58 0.06 0.00 0.03 0.00 0.00 46.19 44.56 1bkz s LEU 89 CO 0.05 0.16 -0.06 -0.63 0.23 0.00 0.00 176.35 176.09 1bkz s ILE 90 N 0.40 2.41 -0.22 -0.59 1.01 -0.22 -0.20 121.20 123.80 1bkz s ILE 90 Ca -0.11 -1.64 -0.06 0.00 0.00 0.00 0.00 60.65 58.83 1bkz s ILE 90 Cb -0.16 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 1bkz s ILE 90 CO 0.06 -0.11 0.04 -0.63 0.00 0.00 0.00 174.94 174.30 1bkz s ILE 91 N 1.12 4.25 -0.08 2.92 1.01 0.26 -1.39 121.20 129.29 1bkz s ILE 91 Ca -0.06 -0.21 -0.22 0.00 0.00 0.00 0.00 60.65 60.16 1bkz s ILE 91 Cb -0.20 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 1bkz s ILE 91 CO -0.04 0.40 0.66 0.00 0.00 0.00 0.00 174.94 175.96 1bkz s ALA 92 N 1.11 3.37 0.00 9.38 0.00 -0.56 -0.39 121.76 134.67 1bkz s ALA 92 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1bkz s ALA 92 Cb -0.14 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1bkz s ALA 92 CO 0.02 -0.11 0.00 -1.13 0.00 0.00 0.00 175.76 174.55 1bkz n SER 93 N 3.82 1.66 -0.17 0.00 3.41 0.09 -0.82 113.62 121.62 1bkz n SER 93 Ca -0.02 -0.87 -0.10 0.00 -0.26 0.00 0.00 58.87 57.62 1bkz n SER 93 Cb 0.51 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.49 1bkz n SER 93 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1bkz h ASP 94 N 0.00 1.01 -0.02 4.04 3.32 -1.96 -3.33 116.42 119.48 1bkz h ASP 94 Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1bkz h ASP 94 Cb 0.00 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.28 1bkz h ASP 94 CO 0.00 1.12 -0.18 -0.90 -1.72 0.00 0.00 179.24 177.56 1bkz n ASP 95 N -4.14 1.92 0.00 6.45 5.75 -1.26 -4.96 116.55 120.31 1bkz n ASP 95 Ca 0.01 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.33 1bkz n ASP 95 Cb 0.41 0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 1bkz n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bkz n GLY 96 N 1.03 -1.18 3.47 6.12 0.00 -1.25 -1.45 105.19 111.93 1bkz n GLY 96 Ca 0.08 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 1bkz n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bkz s PHE 97 N -3.00 2.98 -0.21 1.61 0.08 0.14 -0.73 117.98 118.84 1bkz s PHE 97 Ca 0.00 -0.37 -0.11 0.00 0.12 0.00 0.00 56.93 56.57 1bkz s PHE 97 Cb 0.00 -1.93 -0.05 0.00 -0.57 0.00 0.00 43.02 40.47 1bkz s PHE 97 CO 0.00 -0.07 0.16 0.15 -0.10 0.00 0.00 175.22 175.36 1bkz s LYS 98 N 0.34 4.16 -0.26 0.44 1.02 0.48 -0.77 119.74 125.15 1bkz s LYS 98 Ca -0.06 -0.19 -0.09 0.00 0.02 0.00 0.00 55.97 55.65 1bkz s LYS 98 Cb -0.15 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.67 1bkz s LYS 98 CO 0.04 0.22 0.11 0.00 -0.92 0.00 0.00 175.35 174.80 1bkz s ALA 99 N 0.59 3.30 -0.17 5.17 0.00 0.45 -0.58 121.76 130.52 1bkz s ALA 99 Ca 0.09 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 1bkz s ALA 99 Cb -0.12 -2.23 -0.00 0.00 0.00 0.00 0.00 23.12 20.77 1bkz s ALA 99 CO 0.01 -0.51 -0.13 0.08 0.00 0.00 0.00 175.76 175.21 1bkz s VAL 100 N 1.67 2.83 -0.07 0.00 1.01 0.72 -0.52 120.40 126.03 1bkz s VAL 100 Ca 0.07 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1bkz s VAL 100 Cb -0.15 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.01 1bkz s VAL 100 CO 0.06 0.50 -0.15 -0.69 0.00 0.00 0.00 175.10 174.82 1bkz s VAL 101 N 0.97 1.34 -1.42 2.92 1.01 -0.63 -0.89 120.40 123.71 1bkz s VAL 101 Ca -0.02 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1bkz s VAL 101 Cb -0.15 -1.20 0.04 0.00 0.00 0.00 0.00 36.38 35.07 1bkz s VAL 101 CO -0.02 0.40 0.78 0.61 0.00 0.00 0.00 175.10 176.87 1bkz n GLY 102 N 3.67 -0.36 2.42 4.51 0.00 -1.04 -2.26 105.19 112.11 1bkz n GLY 102 Ca -0.21 0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 1bkz n GLY 102 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bkz n ASP 103 N -2.95 -4.49 -3.99 1.61 9.92 -1.26 -5.01 116.55 110.37 1bkz n ASP 103 Ca -0.16 0.18 -0.18 0.00 -0.53 0.00 0.00 54.79 54.11 1bkz n ASP 103 Cb 0.62 -2.64 -0.15 0.00 -0.64 0.00 0.00 41.12 38.31 1bkz n ASP 103 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bkz s ALA 104 N -2.07 0.62 0.08 2.24 0.00 -0.96 -5.10 121.76 116.57 1bkz s ALA 104 Ca 0.00 -0.30 -0.31 0.00 0.00 0.00 0.00 51.96 51.36 1bkz s ALA 104 Cb 0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 23.12 22.85 1bkz s ALA 104 CO 0.00 0.14 1.80 -1.14 0.00 0.00 0.00 175.76 176.55 1bkz s GLN 105 N -0.10 4.16 -0.15 0.00 2.00 -1.26 -1.60 119.66 122.71 1bkz s GLN 105 Ca 0.02 2.50 -0.00 0.00 -2.00 0.00 0.00 55.36 55.87 1bkz s GLN 105 Cb -0.04 -3.72 -0.09 0.00 0.80 0.00 0.00 33.01 29.96 1bkz s GLN 105 CO -0.00 -0.83 -0.15 0.98 -0.50 0.00 0.00 175.29 174.79 1bkz n TYR 106 N 6.09 0.00 -3.49 1.67 9.36 0.32 -4.91 117.16 126.20 1bkz n TYR 106 Ca 0.18 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.24 1bkz n TYR 106 Cb 0.40 -0.58 -0.05 0.00 -0.63 0.00 0.00 39.34 38.48 1bkz n TYR 106 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1bkz s HIS 107 N -2.30 -0.62 -0.16 2.98 5.04 -1.02 -4.52 115.29 114.69 1bkz s HIS 107 Ca -0.21 0.87 0.00 0.00 -1.54 0.00 0.00 55.06 54.18 1bkz s HIS 107 Cb 0.06 0.46 0.02 0.00 0.04 0.00 0.00 32.58 33.16 1bkz s HIS 107 CO 0.34 -0.68 -0.15 -1.58 -2.34 0.00 0.00 174.74 170.33 1bkz s HIS 108 N -2.00 2.30 -0.45 3.88 2.46 -1.26 -0.41 115.29 119.81 1bkz s HIS 108 Ca -0.07 -1.32 -0.10 0.00 0.47 0.00 0.00 55.06 54.04 1bkz s HIS 108 Cb -0.00 -1.66 0.09 0.00 -0.13 0.00 0.00 32.58 30.88 1bkz s HIS 108 CO 0.03 -0.70 0.31 0.12 -2.47 0.00 0.00 174.74 172.03 1bkz s PHE 109 N 1.45 3.35 0.34 3.88 5.36 0.05 -4.95 117.98 127.46 1bkz s PHE 109 Ca 0.05 -1.57 -0.28 0.00 -0.96 0.00 0.00 56.93 54.16 1bkz s PHE 109 Cb -0.13 -3.21 -0.12 0.00 -0.34 0.00 0.00 43.02 39.23 1bkz s PHE 109 CO -0.11 -0.90 1.42 -2.13 -1.46 0.00 0.00 175.22 172.04 1bkz n ARG 110 N 4.96 2.43 -1.74 10.12 3.00 -1.26 -0.69 116.66 133.48 1bkz n ARG 110 Ca -0.10 0.85 -0.42 0.00 -0.00 0.00 0.00 57.85 58.19 1bkz n ARG 110 Cb 0.42 -2.53 -0.01 0.00 0.00 0.00 0.00 32.46 30.35 1bkz n ARG 110 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1bkz n HIS 111 N 0.70 2.70 -0.03 -0.14 8.25 -0.53 -4.86 115.22 121.33 1bkz n HIS 111 Ca 0.04 0.44 -0.03 0.00 -0.26 0.00 0.00 57.72 57.92 1bkz n HIS 111 Cb 0.37 -2.50 -0.04 0.00 1.12 0.00 0.00 29.99 28.94 1bkz n HIS 111 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1bkz n ARG 112 N 0.87 2.96 -4.38 -0.41 1.74 -1.26 -5.01 116.66 111.17 1bkz n ARG 112 Ca 0.04 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.86 1bkz n ARG 112 Cb 0.37 -1.13 -0.12 0.00 -1.02 0.00 0.00 32.46 30.56 1bkz n ARG 112 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1bkz s LEU 113 N -4.44 2.39 0.22 0.55 1.43 -1.26 -5.10 118.68 112.48 1bkz s LEU 113 Ca -0.03 -0.82 -0.31 0.00 -1.03 0.00 0.00 54.13 51.94 1bkz s LEU 113 Cb 0.02 -1.08 -0.11 0.00 0.03 0.00 0.00 46.19 45.04 1bkz s LEU 113 CO 0.20 0.10 1.65 -2.84 0.23 0.00 0.00 176.35 175.68 1bkz s PRO 114 N -2.46 4.15 0.60 1.29 0.02 -1.26 -4.84 135.00 132.49 1bkz s PRO 114 Ca 0.17 2.54 0.29 0.00 0.02 0.00 0.00 61.00 64.01 1bkz s PRO 114 Cb -0.08 -3.08 1.57 0.00 0.02 0.00 0.00 34.50 32.93 1bkz s PRO 114 CO 0.08 -0.68 1.97 -0.07 -0.33 0.00 0.00 177.00 177.97 1bkz h LEU 115 N 6.21 0.00 -1.93 -5.54 3.38 -1.99 -1.83 115.31 113.61 1bkz h LEU 115 Ca -0.44 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1bkz h LEU 115 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1bkz h LEU 115 CO 0.90 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 179.37 1bkz h ALA 116 N 1.55 1.09 0.00 1.53 0.00 -1.89 -2.99 119.26 118.56 1bkz h ALA 116 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1bkz h ALA 116 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1bkz h ALA 116 CO -0.00 0.07 -0.12 0.54 0.00 0.00 0.00 179.25 179.75 1bkz n ARG 117 N -3.29 0.20 -1.96 0.00 1.74 -0.69 -4.82 116.66 107.84 1bkz n ARG 117 Ca -0.01 0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.80 1bkz n ARG 117 Cb 0.24 -1.71 -0.02 0.00 -1.02 0.00 0.00 32.46 29.95 1bkz n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1bkz s VAL 118 N -3.09 2.56 0.00 1.55 1.01 -1.13 -4.35 120.40 116.95 1bkz s VAL 118 Ca 0.11 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1bkz s VAL 118 Cb 0.14 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1bkz s VAL 118 CO 0.61 0.06 0.00 0.54 0.00 0.00 0.00 175.10 176.31 1bkz n ARG 119 N 2.72 2.57 -3.73 2.72 5.12 0.57 -4.18 116.66 122.45 1bkz n ARG 119 Ca 0.09 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.87 1bkz n ARG 119 Cb 0.39 -0.27 -0.09 0.00 -1.16 0.00 0.00 32.46 31.33 1bkz n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1bkz s LEU 120 N -0.53 0.54 -0.12 0.55 2.96 -0.87 -0.34 118.68 120.87 1bkz s LEU 120 Ca 0.00 0.45 0.02 0.00 -0.22 0.00 0.00 54.13 54.38 1bkz s LEU 120 Cb 0.00 1.44 -0.01 0.00 0.50 0.00 0.00 46.19 48.12 1bkz s LEU 120 CO 0.00 -0.33 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.83 1bkz s VAL 121 N -0.67 2.62 -0.03 1.68 1.01 0.04 -0.76 120.40 124.29 1bkz s VAL 121 Ca -0.08 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1bkz s VAL 121 Cb -0.04 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.28 1bkz s VAL 121 CO 0.03 0.54 -0.14 -0.70 0.00 0.00 0.00 175.10 174.83 1bkz s GLU 122 N 0.39 1.41 -0.08 2.72 2.12 -0.36 -0.98 118.70 123.93 1bkz s GLU 122 Ca -0.14 -0.48 0.03 0.00 0.36 0.00 0.00 54.97 54.74 1bkz s GLU 122 Cb -0.17 -1.26 0.01 0.00 0.26 0.00 0.00 34.13 32.97 1bkz s GLU 122 CO 0.06 0.20 -0.17 0.08 -0.54 0.00 0.00 175.26 174.89 1bkz s VAL 123 N 0.07 1.50 0.32 3.70 1.01 0.10 -0.39 120.40 126.71 1bkz s VAL 123 Ca -0.03 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 1bkz s VAL 123 Cb -0.10 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.98 1bkz s VAL 123 CO 0.01 0.44 0.57 0.61 0.00 0.00 0.00 175.10 176.73 1bkz n GLY 124 N 3.69 1.56 0.20 4.51 0.00 -0.60 0.11 105.19 114.66 1bkz n GLY 124 Ca -0.21 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1bkz n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bkz n GLY 125 N -0.46 -1.53 3.28 -0.02 0.00 -1.26 -1.06 105.19 104.13 1bkz n GLY 125 Ca -0.04 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 1bkz n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bkz n ASP 126 N 0.01 4.75 -3.73 1.61 8.00 -0.22 -4.90 116.55 122.06 1bkz n ASP 126 Ca 0.00 -2.93 -0.12 0.00 0.71 0.00 0.00 54.79 52.44 1bkz n ASP 126 Cb 0.00 -1.67 -0.07 0.00 -0.02 0.00 0.00 41.12 39.36 1bkz n ASP 126 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1bkz s VAL 127 N 3.07 0.07 -0.33 2.53 0.11 -1.26 -4.37 120.40 120.22 1bkz s VAL 127 Ca 0.49 -0.56 0.03 0.00 -2.93 0.00 0.00 61.98 59.01 1bkz s VAL 127 Cb 0.06 -0.85 0.10 0.00 -1.53 0.00 0.00 36.38 34.16 1bkz s VAL 127 CO 0.02 -0.31 0.05 -1.10 -3.33 0.00 0.00 175.10 170.43 1bkz s GLN 128 N -2.13 1.36 0.28 1.54 -0.21 -0.18 -4.46 119.66 115.86 1bkz s GLN 128 Ca -0.08 -1.67 -0.29 0.00 0.02 0.00 0.00 55.36 53.34 1bkz s GLN 128 Cb -0.02 -2.93 -0.10 0.00 1.00 0.00 0.00 33.01 30.96 1bkz s GLN 128 CO -0.00 -0.93 1.28 -0.51 -2.12 0.00 0.00 175.29 173.01 1bkz s LEU 129 N 1.07 4.44 -0.12 2.90 1.02 -1.26 -0.79 118.68 125.95 1bkz s LEU 129 Ca 0.09 2.53 -0.09 0.00 0.02 0.00 0.00 54.13 56.69 1bkz s LEU 129 Cb -0.19 -3.63 -0.03 0.00 0.02 0.00 0.00 46.19 42.36 1bkz s LEU 129 CO -0.11 -0.47 -0.17 -0.67 0.02 0.00 0.00 176.35 174.95 1bkz n ASP 130 N 1.50 1.43 -3.47 2.29 -0.08 0.50 -4.76 116.55 113.96 1bkz n ASP 130 Ca 0.02 0.49 -0.12 0.00 -1.51 0.00 0.00 54.79 53.67 1bkz n ASP 130 Cb 0.42 -0.77 -0.03 0.00 2.34 0.00 0.00 41.12 43.09 1bkz n ASP 130 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1bkz s SER 131 N -5.29 -0.51 -0.17 1.67 1.04 -0.95 -5.00 113.70 104.49 1bkz s SER 131 Ca -0.14 -0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.26 1bkz s SER 131 Cb 0.02 0.57 0.05 0.00 0.10 0.00 0.00 66.02 66.76 1bkz s SER 131 CO 0.21 -0.92 -0.01 -0.69 0.98 0.00 0.00 173.24 172.80 1bkz s VAL 132 N -3.59 0.78 0.01 5.02 1.01 -1.26 -1.10 120.40 121.26 1bkz s VAL 132 Ca 0.01 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.55 1bkz s VAL 132 Cb -0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1bkz s VAL 132 CO -0.11 -0.00 -0.24 -0.13 0.00 0.00 0.00 175.10 174.61 1bkz s ARG 133 N 1.76 2.03 -0.15 2.72 1.81 -0.37 -4.98 118.95 121.77 1bkz s ARG 133 Ca 0.00 -0.98 0.01 0.00 -1.72 0.00 0.00 55.73 53.05 1bkz s ARG 133 Cb -0.16 -2.07 0.02 0.00 -0.45 0.00 0.00 34.95 32.29 1bkz s ARG 133 CO -0.07 0.55 -0.18 0.42 -0.68 0.00 0.00 175.30 175.33 1bkz s ILE 134 N -0.73 1.87 -0.88 1.52 1.01 -1.26 -1.01 121.20 121.72 1bkz s ILE 134 Ca 0.11 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 60.00 1bkz s ILE 134 Cb -0.10 -1.70 0.06 0.00 0.01 0.00 0.00 42.46 40.73 1bkz s ILE 134 CO 0.01 0.51 0.72 0.49 0.00 0.00 0.00 174.94 176.67