#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4b n GLU 2 N 0.00 0.00 -0.03 2.12 2.13 -1.26 -5.00 120.64 118.60 1d4b n GLU 2 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 1d4b n GLU 2 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 1d4b n GLU 2 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1d4b n TYR 3 N -2.75 0.00 -1.91 4.31 4.02 -1.26 -4.94 117.16 114.63 1d4b n TYR 3 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1d4b n TYR 3 Cb 0.00 -0.30 -0.03 0.00 -0.02 0.00 0.00 39.34 38.99 1d4b n TYR 3 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1d4b s LEU 4 N -4.85 3.46 -1.24 7.72 1.98 -1.26 -4.89 118.68 119.60 1d4b s LEU 4 Ca -0.06 1.25 -0.11 0.00 -2.89 0.00 0.00 54.13 52.32 1d4b s LEU 4 Cb 0.02 -3.30 0.18 0.00 0.66 0.00 0.00 46.19 43.75 1d4b s LEU 4 CO 0.22 -1.93 1.69 -0.24 -1.89 0.00 0.00 176.35 174.20 1d4b n SER 5 N 11.29 5.21 0.00 3.68 2.88 -1.26 -4.83 113.62 130.59 1d4b n SER 5 Ca 0.25 -3.08 0.00 0.00 -1.33 0.00 0.00 58.87 54.71 1d4b n SER 5 Cb 0.48 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 1d4b n SER 5 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1d4b n ALA 6 N 4.32 0.00 0.05 -1.46 0.00 -1.26 -5.12 120.51 117.03 1d4b n ALA 6 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1d4b n ALA 6 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1d4b n ALA 6 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1d4b n LEU 7 N 0.00 0.37 0.00 0.00 -0.00 -1.26 -5.10 117.00 111.01 1d4b n LEU 7 Ca 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 56.01 56.16 1d4b n LEU 7 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.38 1d4b n LEU 7 CO 0.00 -0.65 0.00 0.59 -0.00 0.00 0.00 177.39 177.33 1d4b n ASN 8 N -3.05 0.00 -4.70 1.96 4.13 -1.26 -5.09 115.26 107.24 1d4b n ASN 8 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 1d4b n ASN 8 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 1d4b n ASN 8 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1d4b s PRO 9 N 0.00 4.40 -0.03 3.52 0.04 -1.26 -4.95 135.00 136.72 1d4b s PRO 9 Ca 0.00 1.77 -0.23 0.00 0.04 0.00 0.00 61.00 62.58 1d4b s PRO 9 Cb 0.00 -3.42 -0.23 0.00 0.04 0.00 0.00 34.50 30.89 1d4b s PRO 9 CO 0.00 -0.33 1.06 1.03 0.04 0.00 0.00 177.00 178.79 1d4b h SER 10 N 7.06 0.32 -3.23 6.66 0.87 -2.06 -3.45 113.55 119.72 1d4b h SER 10 Ca -0.39 -0.76 -0.57 0.00 -1.23 0.00 0.00 61.79 58.84 1d4b h SER 10 Cb 1.20 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.03 1d4b h SER 10 CO 0.84 1.04 -0.26 -0.62 -0.53 0.00 0.00 176.83 177.30 1d4b s ASP 11 N -6.43 6.52 -0.20 6.23 -1.08 -1.26 -5.08 116.67 115.36 1d4b s ASP 11 Ca -0.15 0.67 0.01 0.00 -0.52 0.00 0.00 52.55 52.56 1d4b s ASP 11 Cb 0.02 -2.13 0.05 0.00 -1.46 0.00 0.00 42.92 39.40 1d4b s ASP 11 CO 0.76 0.01 -0.09 -0.76 0.52 0.00 0.00 175.17 175.61 1d4b s LEU 12 N -2.74 2.34 0.11 -1.34 1.02 -1.26 -5.12 118.68 111.69 1d4b s LEU 12 Ca 0.43 -0.94 0.07 0.00 0.02 0.00 0.00 54.13 53.71 1d4b s LEU 12 Cb -0.12 -1.22 -0.04 0.00 0.02 0.00 0.00 46.19 44.83 1d4b s LEU 12 CO 0.24 -0.16 -0.18 -1.48 0.02 0.00 0.00 176.35 174.79 1d4b s LEU 13 N 1.39 2.34 0.00 1.79 2.34 -1.26 -4.98 118.68 120.30 1d4b s LEU 13 Ca -0.02 -0.73 0.00 0.00 0.06 0.00 0.00 54.13 53.44 1d4b s LEU 13 Cb -0.17 -0.73 0.00 0.00 -0.56 0.00 0.00 46.19 44.74 1d4b s LEU 13 CO -0.08 -0.03 0.00 -2.11 -1.06 0.00 0.00 176.35 173.07 1d4b n ARG 14 N 0.85 0.00 -1.55 1.48 1.85 -1.26 -5.10 116.66 112.94 1d4b n ARG 14 Ca -0.18 0.00 -0.49 0.00 -1.00 0.00 0.00 57.85 56.19 1d4b n ARG 14 Cb 0.55 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.91 1d4b n ARG 14 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1d4b n SER 15 N -0.72 2.73 -4.78 2.89 3.41 -1.26 -4.92 113.62 110.96 1d4b n SER 15 Ca 0.00 0.52 -0.38 0.00 -0.26 0.00 0.00 58.87 58.74 1d4b n SER 15 Cb 0.00 -1.36 -0.06 0.00 -0.26 0.00 0.00 64.21 62.53 1d4b n SER 15 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1d4b s VAL 16 N 6.67 4.34 -0.56 -3.33 1.01 -1.26 -5.02 120.40 122.25 1d4b s VAL 16 Ca 1.03 1.70 -0.18 0.00 0.00 0.00 0.00 61.98 64.52 1d4b s VAL 16 Cb -0.70 -4.09 0.10 0.00 0.00 0.00 0.00 36.38 31.69 1d4b s VAL 16 CO 0.47 0.39 0.65 -0.44 0.00 0.00 0.00 175.10 176.17 1d4b s SER 17 N -1.33 6.19 -0.58 3.32 0.01 -1.26 -4.99 113.70 115.06 1d4b s SER 17 Ca 0.40 -1.37 -0.01 0.00 1.31 0.00 0.00 55.95 56.28 1d4b s SER 17 Cb -0.21 -2.28 0.15 0.00 0.21 0.00 0.00 66.02 63.88 1d4b s SER 17 CO 0.26 -1.01 0.37 0.54 0.41 0.00 0.00 173.24 173.80 1d4b s ASN 18 N 3.39 4.98 0.43 2.44 4.22 -1.26 -5.08 114.94 124.05 1d4b s ASN 18 Ca 0.11 -2.83 -0.24 0.00 -2.14 0.00 0.00 52.86 47.76 1d4b s ASN 18 Cb -0.24 -1.79 -0.08 0.00 1.28 0.00 0.00 41.25 40.42 1d4b s ASN 18 CO 0.07 -0.34 1.15 -0.63 -2.04 0.00 0.00 177.10 175.31 1d4b s ILE 19 N -0.03 3.19 -0.29 0.54 1.01 -1.26 -5.03 121.20 119.34 1d4b s ILE 19 Ca 0.16 0.94 -0.01 0.00 0.00 0.00 0.00 60.65 61.74 1d4b s ILE 19 Cb -0.22 -3.50 0.13 0.00 0.01 0.00 0.00 42.46 38.88 1d4b s ILE 19 CO -0.03 0.03 0.25 -0.44 0.00 0.00 0.00 174.94 174.75 1d4b s SER 20 N -1.28 2.24 0.89 3.58 0.01 -1.26 -5.15 113.70 112.73 1d4b s SER 20 Ca 0.60 -0.97 -0.14 0.00 1.31 0.00 0.00 55.95 56.76 1d4b s SER 20 Cb -0.29 0.24 0.15 0.00 0.21 0.00 0.00 66.02 66.33 1d4b s SER 20 CO 0.36 -0.40 1.25 -0.55 0.41 0.00 0.00 173.24 174.30 1d4b s SER 21 N 2.23 3.76 -0.32 2.44 0.15 -1.26 -5.08 113.70 115.62 1d4b s SER 21 Ca 0.10 0.46 0.05 0.00 0.70 0.00 0.00 55.95 57.26 1d4b s SER 21 Cb -0.15 -0.71 0.18 0.00 -1.71 0.00 0.00 66.02 63.63 1d4b s SER 21 CO -0.33 -2.34 0.55 -0.70 1.20 0.00 0.00 173.24 171.61 1d4b s GLU 22 N -5.73 0.59 1.18 5.44 2.56 -1.26 -5.16 118.70 116.32 1d4b s GLU 22 Ca 0.69 0.20 -0.19 0.00 0.00 0.00 0.00 54.97 55.67 1d4b s GLU 22 Cb -0.07 0.04 0.28 0.00 2.00 0.00 0.00 34.13 36.38 1d4b s GLU 22 CO 0.51 -1.09 1.13 -0.06 -0.56 0.00 0.00 175.26 175.19 1d4b s PHE 23 N 2.48 0.61 0.00 5.30 0.08 -1.26 -5.08 117.98 120.11 1d4b s PHE 23 Ca 0.12 0.48 -0.00 0.00 0.12 0.00 0.00 56.93 57.65 1d4b s PHE 23 Cb -0.10 -3.51 -0.00 0.00 -0.57 0.00 0.00 43.02 38.84 1d4b s PHE 23 CO -0.22 -3.76 0.00 0.20 -0.10 0.00 0.00 175.22 171.35 1d4b s GLY 24 N -3.98 0.05 -0.30 4.36 0.00 -1.26 -5.12 107.32 101.07 1d4b s GLY 24 Ca 0.71 -0.11 -0.02 0.00 0.00 0.00 0.00 44.72 45.30 1d4b s GLY 24 CO 0.56 -0.13 0.22 0.50 0.00 0.00 0.00 173.10 174.25 1d4b s ARG 25 N -0.35 0.28 0.10 2.90 0.52 -1.26 -5.13 118.95 116.01 1d4b s ARG 25 Ca -0.04 -0.38 -0.20 0.00 -0.52 0.00 0.00 55.73 54.59 1d4b s ARG 25 Cb -0.02 -0.90 -0.07 0.00 0.52 0.00 0.00 34.95 34.48 1d4b s ARG 25 CO -0.00 -1.04 0.60 0.50 0.02 0.00 0.00 175.30 175.38 1d4b s ARG 26 N 2.17 4.24 -0.62 3.54 3.52 -1.26 -5.03 118.95 125.50 1d4b s ARG 26 Ca 0.10 0.78 0.05 0.00 -0.13 0.00 0.00 55.73 56.53 1d4b s ARG 26 Cb -0.15 -3.21 0.19 0.00 -1.56 0.00 0.00 34.95 30.22 1d4b s ARG 26 CO -0.32 0.61 0.53 1.33 -0.81 0.00 0.00 175.30 176.64 1d4b n VAL 27 N 1.61 1.20 -2.91 7.11 0.24 -1.26 -4.92 118.33 119.40 1d4b n VAL 27 Ca -0.09 -4.67 -0.13 0.00 -2.04 0.00 0.00 64.34 57.41 1d4b n VAL 27 Cb 0.51 -2.07 0.02 0.00 -1.47 0.00 0.00 33.84 30.83 1d4b n VAL 27 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 1d4b n TRP 28 N 1.79 -2.00 -1.47 6.34 -0.00 -1.26 -4.97 117.44 115.87 1d4b n TRP 28 Ca 0.24 -2.59 -0.23 0.00 -0.00 0.00 0.00 57.50 54.92 1d4b n TRP 28 Cb 0.40 0.85 0.12 0.00 -0.00 0.00 0.00 31.31 32.68 1d4b n TRP 28 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 177.69 175.32 1d4b n THR 29 N 1.01 3.08 -2.39 5.87 5.66 -1.26 -4.68 114.28 121.57 1d4b n THR 29 Ca 0.13 -2.92 -0.32 0.00 -3.05 0.00 0.00 64.05 57.89 1d4b n THR 29 Cb 0.63 -0.81 0.01 0.00 -1.55 0.00 0.00 70.33 68.62 1d4b n THR 29 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1d4b n SER 30 N -0.98 5.76 -3.65 1.09 2.88 -1.26 -5.00 113.62 112.47 1d4b n SER 30 Ca 0.52 -3.75 -0.13 0.00 -1.33 0.00 0.00 58.87 54.18 1d4b n SER 30 Cb 1.03 -0.72 -0.06 0.00 -0.75 0.00 0.00 64.21 63.71 1d4b n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1d4b s ALA 31 N -3.76 -1.07 0.53 -1.46 0.00 -1.26 -5.15 121.76 109.57 1d4b s ALA 31 Ca 0.49 0.39 -0.19 0.00 0.00 0.00 0.00 51.96 52.64 1d4b s ALA 31 Cb 0.38 0.33 -0.07 0.00 0.00 0.00 0.00 23.12 23.77 1d4b s ALA 31 CO -0.25 -0.46 1.08 -1.25 0.00 0.00 0.00 175.76 174.88 1d4b s PRO 32 N -2.39 3.54 0.83 0.00 0.04 -1.26 -5.03 135.00 130.73 1d4b s PRO 32 Ca -0.06 1.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.31 1d4b s PRO 32 Cb -0.01 -2.05 0.09 0.00 0.04 0.00 0.00 34.50 32.57 1d4b s PRO 32 CO -0.02 -0.66 1.10 -1.25 0.04 0.00 0.00 177.00 176.21 1d4b s PRO 33 N -3.38 1.79 -0.04 0.56 0.04 -1.26 -4.97 135.00 127.74 1d4b s PRO 33 Ca 0.69 0.67 -0.30 0.00 0.04 0.00 0.00 61.00 62.10 1d4b s PRO 33 Cb -0.19 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1d4b s PRO 33 CO 0.25 -1.83 1.32 -1.25 0.04 0.00 0.00 177.00 175.53 1d4b s PRO 34 N -5.10 4.30 0.41 0.56 0.04 -1.26 -4.93 135.00 129.01 1d4b s PRO 34 Ca 0.62 1.84 -0.26 0.00 0.04 0.00 0.00 61.00 63.23 1d4b s PRO 34 Cb -0.15 -3.60 -0.09 0.00 0.04 0.00 0.00 34.50 30.69 1d4b s PRO 34 CO 0.55 -0.55 1.38 -1.14 0.04 0.00 0.00 177.00 177.28 1d4b s GLN 35 N 2.49 3.95 -0.02 4.56 0.74 -1.26 -4.81 119.66 125.31 1d4b s GLN 35 Ca 0.60 2.32 0.01 0.00 0.05 0.00 0.00 55.36 58.34 1d4b s GLN 35 Cb -0.28 -2.80 0.01 0.00 1.10 0.00 0.00 33.01 31.04 1d4b s GLN 35 CO 0.24 -0.57 -0.03 0.50 -0.55 0.00 0.00 175.29 174.88 1d4b s ARG 36 N -2.23 0.41 -0.10 1.67 6.06 -1.25 -4.98 118.95 118.54 1d4b s ARG 36 Ca 0.56 -0.07 -0.30 0.00 -2.50 0.00 0.00 55.73 53.43 1d4b s ARG 36 Cb -0.42 -0.46 -0.03 0.00 0.06 0.00 0.00 34.95 34.11 1d4b s ARG 36 CO 0.54 -0.01 1.36 -1.25 -2.50 0.00 0.00 175.30 173.45 1d4b s PRO 37 N 0.41 4.25 -0.13 5.12 0.04 -1.26 -2.97 135.00 140.45 1d4b s PRO 37 Ca -0.04 1.83 0.02 0.00 0.04 0.00 0.00 61.00 62.84 1d4b s PRO 37 Cb -0.07 -3.75 0.01 0.00 0.04 0.00 0.00 34.50 30.73 1d4b s PRO 37 CO -0.01 -0.68 -0.19 -0.06 0.04 0.00 0.00 177.00 176.10 1d4b s PHE 38 N 3.24 2.44 -0.42 0.56 0.08 -0.82 -4.98 117.98 118.08 1d4b s PHE 38 Ca 0.60 -1.23 -0.28 0.00 0.12 0.00 0.00 56.93 56.14 1d4b s PHE 38 Cb -0.26 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.52 1d4b s PHE 38 CO 0.21 -0.59 1.08 0.50 -0.10 0.00 0.00 175.22 176.32 1d4b s ARG 39 N 0.92 3.82 0.08 0.44 3.52 -1.26 -2.19 118.95 124.28 1d4b s ARG 39 Ca -0.06 0.67 0.01 0.00 -0.13 0.00 0.00 55.73 56.23 1d4b s ARG 39 Cb -0.15 -3.85 -0.04 0.00 -1.56 0.00 0.00 34.95 29.35 1d4b s ARG 39 CO -0.03 -1.19 0.19 0.08 -0.81 0.00 0.00 175.30 173.54 1d4b s VAL 40 N 4.07 5.19 0.22 7.11 1.01 -0.89 -4.28 120.40 132.84 1d4b s VAL 40 Ca 0.45 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 1d4b s VAL 40 Cb -0.09 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1d4b s VAL 40 CO 0.25 0.11 0.12 0.00 0.00 0.00 0.00 175.10 175.58 1d4b s ASP 42 N -3.21 4.48 0.00 0.00 -1.08 -0.90 -4.23 116.67 111.73 1d4b s ASP 42 Ca 0.39 -1.32 0.00 0.00 -0.52 0.00 0.00 52.55 51.10 1d4b s ASP 42 Cb 0.07 0.29 0.00 0.00 -1.46 0.00 0.00 42.92 41.82 1d4b s ASP 42 CO 0.13 -0.95 0.12 1.57 0.52 0.00 0.00 175.17 176.56 1d4b n HIS 43 N -1.55 0.00 0.00 -5.34 -0.00 -1.26 -4.46 115.22 102.61 1d4b n HIS 43 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 1d4b n HIS 43 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.64 1d4b n HIS 43 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1d4b n LYS 44 N -0.28 0.00 -0.38 1.57 3.00 -1.26 -4.94 118.16 115.86 1d4b n LYS 44 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 1d4b n LYS 44 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 35.03 34.35 1d4b n LYS 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1d4b n ARG 45 N -2.31 0.00 0.11 1.64 0.63 -1.26 -4.99 116.66 110.47 1d4b n ARG 45 Ca 0.00 -0.25 -0.09 0.00 -0.92 0.00 0.00 57.85 56.58 1d4b n ARG 45 Cb 0.00 -0.14 -0.05 0.00 0.45 0.00 0.00 32.46 32.71 1d4b n ARG 45 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1d4b h THR 46 N 4.97 0.00 -3.49 5.15 1.35 -1.92 -3.43 112.91 115.55 1d4b h THR 46 Ca 0.00 0.00 -0.39 0.00 -0.55 0.00 0.00 66.41 65.47 1d4b h THR 46 Cb 1.09 0.00 -0.34 0.00 -1.73 0.00 0.00 68.15 67.17 1d4b h THR 46 CO 0.00 0.00 -0.77 -0.63 -0.25 0.00 0.00 175.52 173.87 1d4b s ILE 47 N -4.52 0.46 -0.28 6.82 1.01 -1.26 -5.05 121.20 118.38 1d4b s ILE 47 Ca -0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.43 1d4b s ILE 47 Cb 0.03 -0.50 0.09 0.00 0.01 0.00 0.00 42.46 42.10 1d4b s ILE 47 CO 0.33 0.20 0.11 -0.60 0.00 0.00 0.00 174.94 174.99 1d4b s ARG 48 N 0.87 0.34 0.01 2.79 3.52 -1.26 -2.12 118.95 123.10 1d4b s ARG 48 Ca -0.11 -0.63 -0.00 0.00 -0.13 0.00 0.00 55.73 54.86 1d4b s ARG 48 Cb -0.14 -1.47 -0.01 0.00 -1.56 0.00 0.00 34.95 31.77 1d4b s ARG 48 CO -0.00 -0.97 -0.01 0.21 -0.81 0.00 0.00 175.30 173.72 1d4b s LYS 49 N 1.97 0.18 -0.29 5.12 2.47 -0.98 -5.00 119.74 123.21 1d4b s LYS 49 Ca 0.08 -0.33 -0.09 0.00 -1.56 0.00 0.00 55.97 54.07 1d4b s LYS 49 Cb -0.16 0.06 -0.01 0.00 -1.46 0.00 0.00 37.83 36.26 1d4b s LYS 49 CO -0.30 -0.03 0.13 0.20 0.16 0.00 0.00 175.35 175.50 1d4b s GLY 50 N -0.81 1.84 0.22 5.54 0.00 -1.26 -2.09 107.32 110.75 1d4b s GLY 50 Ca -0.09 -1.30 0.09 0.00 0.00 0.00 0.00 44.72 43.42 1d4b s GLY 50 CO -0.00 0.64 -0.03 1.08 0.00 0.00 0.00 173.10 174.79 1d4b s LEU 51 N 1.61 3.16 -0.29 0.66 2.01 -0.93 -4.81 118.68 120.09 1d4b s LEU 51 Ca 0.05 -0.57 -0.15 0.00 0.01 0.00 0.00 54.13 53.47 1d4b s LEU 51 Cb -0.16 -1.76 -0.03 0.00 0.01 0.00 0.00 46.19 44.25 1d4b s LEU 51 CO 0.05 0.05 0.35 0.42 1.01 0.00 0.00 176.35 178.23 1d4b s THR 52 N -2.02 5.19 0.02 5.49 -4.23 -1.26 -1.95 115.64 116.87 1d4b s THR 52 Ca 0.29 0.40 0.01 0.00 -1.18 0.00 0.00 61.69 61.20 1d4b s THR 52 Cb -0.08 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 70.04 1d4b s THR 52 CO 0.18 0.10 -0.03 0.00 -0.54 0.00 0.00 174.62 174.33 1d4b s ALA 53 N 2.03 0.22 -0.29 3.99 0.00 -1.16 -4.87 121.76 121.67 1d4b s ALA 53 Ca 0.13 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 1d4b s ALA 53 Cb -0.16 0.05 0.10 0.00 0.00 0.00 0.00 23.12 23.12 1d4b s ALA 53 CO 0.11 -0.05 0.14 0.00 0.00 0.00 0.00 175.76 175.95 1d4b s ALA 54 N -0.87 0.62 0.24 0.00 0.00 -1.26 -3.77 121.76 116.72 1d4b s ALA 54 Ca -0.08 -1.13 -0.19 0.00 0.00 0.00 0.00 51.96 50.56 1d4b s ALA 54 Cb -0.06 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.67 1d4b s ALA 54 CO -0.00 -1.68 0.62 0.99 0.00 0.00 0.00 175.76 175.68 1d4b s THR 55 N 2.03 0.01 0.00 0.00 2.01 -1.26 -4.70 115.64 113.73 1d4b s THR 55 Ca 0.10 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.19 1d4b s THR 55 Cb -0.16 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.53 1d4b s THR 55 CO -0.34 -0.03 0.00 -1.14 -0.69 0.00 0.00 174.62 172.42 1d4b n ARG 56 N -0.41 0.00 -0.05 4.92 0.63 -1.26 -4.56 116.66 115.94 1d4b n ARG 56 Ca -0.07 0.06 -0.22 0.00 -0.92 0.00 0.00 57.85 56.70 1d4b n ARG 56 Cb 0.61 -0.35 -0.13 0.00 0.45 0.00 0.00 32.46 33.04 1d4b n ARG 56 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1d4b n GLN 57 N -1.33 0.67 0.12 -0.14 7.27 -1.26 -4.09 117.38 118.62 1d4b n GLN 57 Ca 0.00 0.40 0.20 0.00 0.07 0.00 0.00 57.00 57.66 1d4b n GLN 57 Cb 0.00 -1.72 0.71 0.00 2.41 0.00 0.00 30.24 31.64 1d4b n GLN 57 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1d4b h GLU 58 N -0.42 0.00 -0.72 3.69 4.81 -2.00 0.02 114.58 119.96 1d4b h GLU 58 Ca -0.40 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 58.93 1d4b h GLU 58 Cb 1.71 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.04 1d4b h GLU 58 CO -0.06 0.00 0.48 1.25 -0.73 0.00 0.00 179.01 179.95 1d4b h LEU 59 N 0.00 0.54 -0.21 1.64 6.46 -1.80 -1.96 115.31 119.98 1d4b h LEU 59 Ca 0.18 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 1d4b h LEU 59 Cb 1.20 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.02 1d4b h LEU 59 CO -0.00 0.32 0.14 0.25 -0.62 0.00 0.00 178.44 178.53 1d4b h LEU 60 N 0.60 0.24 -2.17 2.25 7.12 -1.23 -1.36 115.31 120.76 1d4b h LEU 60 Ca 0.33 -0.01 0.05 0.00 0.13 0.00 0.00 57.88 58.39 1d4b h LEU 60 Cb 0.50 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.56 1d4b h LEU 60 CO -0.12 0.18 0.28 0.00 -0.13 0.00 0.00 178.44 178.66 1d4b h ALA 61 N 1.08 1.70 0.13 1.25 0.00 -1.51 -1.96 119.26 119.95 1d4b h ALA 61 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1d4b h ALA 61 Cb -0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1d4b h ALA 61 CO -0.02 -0.38 -0.06 -0.22 0.00 0.00 0.00 179.25 178.57 1d4b h LYS 62 N 0.00 -0.17 -0.50 0.00 3.11 -1.19 -2.12 116.57 115.69 1d4b h LYS 62 Ca 0.09 0.01 0.15 0.00 -2.81 0.00 0.00 60.65 58.08 1d4b h LYS 62 Cb 0.65 0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.90 1d4b h LYS 62 CO -0.00 -0.06 0.39 0.00 -2.81 0.00 0.00 179.45 176.97 1d4b h ALA 63 N 0.63 2.40 -2.42 5.00 0.00 -1.42 -0.83 119.26 122.62 1d4b h ALA 63 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1d4b h ALA 63 Cb 0.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1d4b h ALA 63 CO 0.03 -0.65 0.00 1.28 0.00 0.00 0.00 179.25 179.91 1d4b n LEU 64 N -4.21 2.10 -0.10 0.00 7.99 -0.84 -4.17 117.00 117.77 1d4b n LEU 64 Ca 0.09 0.16 0.26 0.00 -0.01 0.00 0.00 56.01 56.51 1d4b n LEU 64 Cb 0.61 -0.10 0.72 0.00 -0.11 0.00 0.00 43.42 44.54 1d4b n LEU 64 CO 0.35 -0.10 1.24 -0.08 -1.51 0.00 0.00 177.39 177.29 1d4b h GLU 65 N 0.00 0.00 -0.70 3.23 4.22 -1.31 -1.33 114.58 118.70 1d4b h GLU 65 Ca 0.00 0.00 0.13 0.00 0.08 0.00 0.00 59.36 59.57 1d4b h GLU 65 Cb 0.00 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.16 1d4b h GLU 65 CO 0.00 0.00 0.25 0.00 -2.18 0.00 0.00 179.01 177.08 1d4b h THR 66 N 0.00 0.68 0.00 0.32 1.03 -1.31 -3.30 112.91 110.32 1d4b h THR 66 Ca 0.36 -0.14 -0.37 0.00 -0.01 0.00 0.00 66.41 66.25 1d4b h THR 66 Cb 1.50 0.24 -0.06 0.00 -1.07 0.00 0.00 68.15 68.77 1d4b h THR 66 CO -0.00 0.07 -2.23 0.18 -0.01 0.00 0.00 175.52 173.53 1d4b n LEU 67 N -5.03 1.87 -3.84 0.00 4.77 -0.82 -5.05 117.00 108.89 1d4b n LEU 67 Ca 0.12 0.32 -0.11 0.00 -0.03 0.00 0.00 56.01 56.32 1d4b n LEU 67 Cb 0.37 -0.77 -0.09 0.00 -2.33 0.00 0.00 43.42 40.60 1d4b n LEU 67 CO 0.19 0.41 -0.10 -0.76 -1.33 0.00 0.00 177.39 175.79 1d4b s LEU 68 N -7.50 1.36 -0.29 2.23 1.43 -0.56 -5.12 118.68 110.23 1d4b s LEU 68 Ca -0.35 -0.30 -0.25 0.00 -1.03 0.00 0.00 54.13 52.20 1d4b s LEU 68 Cb 0.12 0.92 0.00 0.00 0.03 0.00 0.00 46.19 47.27 1d4b s LEU 68 CO 0.46 -0.51 0.86 -1.48 0.23 0.00 0.00 176.35 175.90 1d4b s LEU 69 N -1.89 4.06 0.02 1.79 0.05 -1.26 -2.90 118.68 118.55 1d4b s LEU 69 Ca -0.08 0.87 -0.00 0.00 0.05 0.00 0.00 54.13 54.97 1d4b s LEU 69 Cb -0.03 -3.21 -0.02 0.00 -2.05 0.00 0.00 46.19 40.89 1d4b s LEU 69 CO -0.02 -0.63 -0.02 0.21 -0.55 0.00 0.00 176.35 175.34 1d4b s ASN 70 N 1.52 0.19 0.01 1.48 3.84 -1.26 -5.01 114.94 115.70 1d4b s ASN 70 Ca 0.36 -0.39 -0.09 0.00 0.21 0.00 0.00 52.86 52.95 1d4b s ASN 70 Cb -0.14 0.08 -0.31 0.00 -0.55 0.00 0.00 41.25 40.33 1d4b s ASN 70 CO 0.11 -0.24 0.90 1.23 -2.79 0.00 0.00 177.10 176.31 1d4b h GLY 71 N 4.94 0.43 -6.60 1.21 0.00 -2.02 -3.46 103.07 97.57 1d4b h GLY 71 Ca -0.30 -1.10 -0.33 0.00 0.00 0.00 0.00 47.33 45.60 1d4b h GLY 71 CO 0.43 0.96 -0.74 0.14 0.00 0.00 0.00 176.54 177.33 1d4b s VAL 72 N -2.61 0.04 -0.04 4.60 1.01 -1.26 -5.14 120.40 116.99 1d4b s VAL 72 Ca -0.10 0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 1d4b s VAL 72 Cb 0.06 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.27 1d4b s VAL 72 CO 0.89 0.13 0.17 -0.22 0.00 0.00 0.00 175.10 176.06 1d4b s LEU 73 N 1.23 1.38 -0.02 3.92 1.98 -1.26 -5.05 118.68 120.86 1d4b s LEU 73 Ca -0.07 0.16 -0.20 0.00 -2.89 0.00 0.00 54.13 51.13 1d4b s LEU 73 Cb -0.13 0.65 -0.05 0.00 0.66 0.00 0.00 46.19 47.32 1d4b s LEU 73 CO -0.03 -0.18 0.57 0.42 -1.89 0.00 0.00 176.35 175.25 1d4b s THR 74 N -0.46 4.96 -0.15 3.68 -4.23 -1.24 -5.02 115.64 113.18 1d4b s THR 74 Ca -0.05 1.19 -0.09 0.00 -1.18 0.00 0.00 61.69 61.55 1d4b s THR 74 Cb -0.04 -3.91 -0.05 0.00 1.34 0.00 0.00 72.50 69.85 1d4b s THR 74 CO 0.01 0.41 0.16 -0.76 -0.54 0.00 0.00 174.62 173.90 1d4b s LEU 75 N -0.12 4.30 0.05 4.79 1.02 -0.95 -3.81 118.68 123.97 1d4b s LEU 75 Ca 0.30 0.39 -0.07 0.00 0.02 0.00 0.00 54.13 54.77 1d4b s LEU 75 Cb -0.18 -2.12 -0.01 0.00 0.02 0.00 0.00 46.19 43.90 1d4b s LEU 75 CO 0.16 0.28 0.14 0.68 0.02 0.00 0.00 176.35 177.64 1d4b s VAL 76 N -0.31 0.14 0.14 -1.59 -7.23 -1.24 0.16 120.40 110.46 1d4b s VAL 76 Ca 0.12 -1.12 0.07 0.00 -1.81 0.00 0.00 61.98 59.25 1d4b s VAL 76 Cb -0.12 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 1d4b s VAL 76 CO 0.02 -0.62 -0.17 -1.48 -0.31 0.00 0.00 175.10 172.54 1d4b s LEU 77 N -2.40 2.41 -0.01 1.32 2.34 -1.13 -3.92 118.68 117.28 1d4b s LEU 77 Ca -0.01 -0.82 0.16 0.00 0.06 0.00 0.00 54.13 53.52 1d4b s LEU 77 Cb 0.01 -0.73 -0.21 0.00 -0.56 0.00 0.00 46.19 44.70 1d4b s LEU 77 CO -0.07 -0.06 0.52 1.21 -1.06 0.00 0.00 176.35 176.89 1d4b n GLU 78 N 0.48 1.17 0.04 1.48 2.13 -1.26 -3.53 120.64 121.16 1d4b n GLU 78 Ca -0.15 -0.07 -0.04 0.00 0.66 0.00 0.00 57.16 57.56 1d4b n GLU 78 Cb 0.57 -1.31 -0.02 0.00 0.27 0.00 0.00 31.44 30.94 1d4b n GLU 78 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1d4b h GLU 79 N 0.00 -0.18 0.00 5.31 4.81 -1.98 -3.28 114.58 119.26 1d4b h GLU 79 Ca 0.00 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1d4b h GLU 79 Cb 0.55 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1d4b h GLU 79 CO 0.00 -0.12 -1.51 -3.47 -0.73 0.00 0.00 179.01 173.18 1d4b n ASP 80 N -3.02 0.57 -0.94 1.04 2.03 -1.26 -5.02 116.55 109.95 1d4b n ASP 80 Ca -0.02 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1d4b n ASP 80 Cb 0.09 0.78 0.00 0.00 -0.72 0.00 0.00 41.12 41.28 1d4b n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1d4b n GLY 81 N 1.32 0.48 3.04 0.27 0.00 -1.24 -5.11 105.19 103.95 1d4b n GLY 81 Ca -0.07 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 1d4b n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d4b s THR 82 N -2.63 0.17 0.56 2.61 2.01 -1.23 -5.04 115.64 112.09 1d4b s THR 82 Ca 0.00 -1.37 -0.05 0.00 0.31 0.00 0.00 61.69 60.58 1d4b s THR 82 Cb 0.00 -0.91 -0.00 0.00 0.01 0.00 0.00 72.50 71.60 1d4b s THR 82 CO 0.00 -0.75 0.86 0.00 -0.69 0.00 0.00 174.62 174.04 1d4b s ALA 83 N -2.73 3.36 -0.11 7.40 0.00 -1.26 -2.84 121.76 125.58 1d4b s ALA 83 Ca -0.04 -0.69 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 1d4b s ALA 83 Cb -0.01 -2.56 0.06 0.00 0.00 0.00 0.00 23.12 20.61 1d4b s ALA 83 CO -0.06 -0.68 0.21 0.08 0.00 0.00 0.00 175.76 175.32 1d4b s VAL 84 N -2.91 -0.34 0.00 0.00 1.01 0.12 -4.92 120.40 113.37 1d4b s VAL 84 Ca 0.52 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1d4b s VAL 84 Cb -0.10 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.90 1d4b s VAL 84 CO 0.44 0.13 0.57 -0.90 0.00 0.00 0.00 175.10 175.34 1d4b n ASP 85 N 5.34 0.00 -3.58 3.32 5.68 -1.26 -2.24 116.55 123.80 1d4b n ASP 85 Ca -0.05 -1.26 -0.14 0.00 -0.50 0.00 0.00 54.79 52.83 1d4b n ASP 85 Cb 0.50 -0.05 -0.06 0.00 -1.14 0.00 0.00 41.12 40.36 1d4b n ASP 85 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1d4b s SER 86 N -0.26 0.75 0.44 -1.12 0.15 -1.26 -5.01 113.70 107.39 1d4b s SER 86 Ca 0.00 -1.43 0.29 0.00 0.70 0.00 0.00 55.95 55.51 1d4b s SER 86 Cb 0.00 0.57 1.57 0.00 -1.71 0.00 0.00 66.02 66.45 1d4b s SER 86 CO 0.00 -1.13 1.88 -0.08 1.20 0.00 0.00 173.24 175.10 1d4b h GLU 87 N 2.24 0.00 0.00 5.44 4.22 -2.01 -1.82 114.58 122.65 1d4b h GLU 87 Ca -0.29 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.15 1d4b h GLU 87 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1d4b h GLU 87 CO 0.41 0.00 0.00 -3.47 -2.18 0.00 0.00 179.01 173.77 1d4b n ASP 88 N -2.52 0.00 0.00 1.04 -0.08 -1.26 -4.04 116.55 109.68 1d4b n ASP 88 Ca -0.02 0.47 0.00 0.00 -1.51 0.00 0.00 54.79 53.73 1d4b n ASP 88 Cb 0.07 -0.47 0.00 0.00 2.34 0.00 0.00 41.12 43.05 1d4b n ASP 88 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1d4b n PHE 89 N -1.47 0.00 -0.12 -0.67 7.35 -0.69 0.12 117.46 121.98 1d4b n PHE 89 Ca 0.01 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.81 1d4b n PHE 89 Cb 0.04 0.00 0.46 0.00 0.35 0.00 0.00 39.48 40.33 1d4b n PHE 89 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1d4b h PHE 90 N 0.00 0.53 0.00 -5.13 0.04 -1.88 0.14 116.94 110.63 1d4b h PHE 90 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1d4b h PHE 90 Cb 0.00 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 37.98 1d4b h PHE 90 CO 0.00 0.25 0.00 0.94 -0.60 0.00 0.00 178.31 178.90 1d4b n GLN 91 N -4.48 0.06 0.08 1.51 -0.06 -0.58 -2.41 117.38 111.50 1d4b n GLN 91 Ca 0.11 0.31 0.08 0.00 -2.00 0.00 0.00 57.00 55.49 1d4b n GLN 91 Cb 0.35 -1.62 -0.03 0.00 -4.06 0.00 0.00 30.24 24.88 1d4b n GLN 91 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1d4b n LEU 92 N -1.73 0.84 -4.42 1.69 7.94 0.32 -4.93 117.00 116.71 1d4b n LEU 92 Ca 0.03 0.34 -0.21 0.00 -1.11 0.00 0.00 56.01 55.06 1d4b n LEU 92 Cb 0.18 -0.02 -0.10 0.00 0.53 0.00 0.00 43.42 44.02 1d4b n LEU 92 CO 0.15 -0.08 -0.40 -0.76 -1.11 0.00 0.00 177.39 175.19 1d4b s LEU 93 N -5.48 2.54 1.26 -1.96 1.02 -1.01 -5.10 118.68 109.95 1d4b s LEU 93 Ca -0.01 -1.12 -0.18 0.00 0.02 0.00 0.00 54.13 52.83 1d4b s LEU 93 Cb 0.09 -0.74 0.31 0.00 0.02 0.00 0.00 46.19 45.87 1d4b s LEU 93 CO 0.80 -0.23 1.02 -1.61 0.02 0.00 0.00 176.35 176.35 1d4b s GLU 94 N -3.66 -1.66 0.03 1.70 8.01 -1.26 -4.85 118.70 117.01 1d4b s GLU 94 Ca 0.28 0.26 -0.30 0.00 0.01 0.00 0.00 54.97 55.22 1d4b s GLU 94 Cb 0.01 -1.52 -0.08 0.00 -4.31 0.00 0.00 34.13 28.24 1d4b s GLU 94 CO 0.11 -4.07 1.77 0.34 0.01 0.00 0.00 175.26 173.42 1d4b s ASP 95 N -3.26 6.55 0.16 -0.19 2.15 -1.26 -4.93 116.67 115.90 1d4b s ASP 95 Ca 0.69 2.50 -0.24 0.00 0.43 0.00 0.00 52.55 55.93 1d4b s ASP 95 Cb -0.15 -2.54 0.07 0.00 -0.30 0.00 0.00 42.92 39.99 1d4b s ASP 95 CO 0.59 -0.96 1.02 1.51 -0.17 0.00 0.00 175.17 177.16 1d4b s ASP 96 N 3.32 -0.07 -0.31 -0.34 1.47 -1.26 -5.13 116.67 114.36 1d4b s ASP 96 Ca 0.79 -0.55 0.02 0.00 1.18 0.00 0.00 52.55 53.99 1d4b s ASP 96 Cb -0.39 0.48 0.09 0.00 -0.34 0.00 0.00 42.92 42.76 1d4b s ASP 96 CO 0.35 -0.93 0.05 -0.89 0.68 0.00 0.00 175.17 174.43 1d4b s THR 97 N -2.60 1.62 -0.04 2.11 2.01 -1.26 -5.04 115.64 112.43 1d4b s THR 97 Ca 0.18 -1.79 -0.02 0.00 0.31 0.00 0.00 61.69 60.37 1d4b s THR 97 Cb -0.02 -2.15 0.03 0.00 0.01 0.00 0.00 72.50 70.37 1d4b s THR 97 CO 0.04 -0.54 0.09 0.00 -0.69 0.00 0.00 174.62 173.52 1d4b s LEU 99 N 0.75 1.80 -0.08 0.00 0.20 -1.26 -4.94 118.68 115.15 1d4b s LEU 99 Ca -0.06 0.06 -0.05 0.00 0.69 0.00 0.00 54.13 54.77 1d4b s LEU 99 Cb -0.08 0.21 0.03 0.00 -0.43 0.00 0.00 46.19 45.92 1d4b s LEU 99 CO -0.03 -0.05 0.20 -0.32 -0.29 0.00 0.00 176.35 175.86 1d4b s MET 100 N -0.13 0.19 -0.17 1.98 1.75 -1.25 -4.08 119.30 117.58 1d4b s MET 100 Ca -0.02 0.38 -0.01 0.00 -1.25 0.00 0.00 55.69 54.79 1d4b s MET 100 Cb -0.01 -0.04 0.05 0.00 2.84 0.00 0.00 34.83 37.67 1d4b s MET 100 CO 0.00 -0.11 -0.01 0.08 -0.65 0.00 0.00 175.02 174.34 1d4b s VAL 101 N 0.76 0.82 0.23 10.11 1.01 -1.26 -3.74 120.40 128.32 1d4b s VAL 101 Ca -0.05 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 1d4b s VAL 101 Cb -0.07 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1d4b s VAL 101 CO -0.04 -0.02 0.33 -1.48 0.00 0.00 0.00 175.10 173.88 1d4b s LEU 102 N 1.74 0.69 0.92 3.92 2.34 -1.25 -4.88 118.68 122.17 1d4b s LEU 102 Ca -0.00 -1.14 -0.15 0.00 0.06 0.00 0.00 54.13 52.90 1d4b s LEU 102 Cb -0.16 1.16 0.16 0.00 -0.56 0.00 0.00 46.19 46.79 1d4b s LEU 102 CO -0.07 -1.01 1.27 -1.58 -1.06 0.00 0.00 176.35 173.90 1d4b s GLN 103 N -4.06 1.03 1.01 1.48 0.74 -1.26 -3.60 119.66 115.00 1d4b s GLN 103 Ca 0.30 -0.23 -0.16 0.00 0.05 0.00 0.00 55.36 55.32 1d4b s GLN 103 Cb 0.03 -1.87 0.02 0.00 1.10 0.00 0.00 33.01 32.28 1d4b s GLN 103 CO 0.11 -2.18 0.02 -1.13 -0.55 0.00 0.00 175.29 171.55 1d4b n SER 104 N -3.64 -2.72 -0.74 6.67 3.41 -1.26 -4.62 113.62 110.72 1d4b n SER 104 Ca 0.13 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1d4b n SER 104 Cb 0.60 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1d4b n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d4b n GLY 105 N 2.03 0.16 3.89 5.00 0.00 -1.26 -5.08 105.19 109.93 1d4b n GLY 105 Ca 0.03 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 1d4b n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1d4b s GLN 106 N -1.83 3.61 -0.04 1.61 0.74 -1.26 -5.09 119.66 117.39 1d4b s GLN 106 Ca 0.00 -0.09 -0.02 0.00 0.05 0.00 0.00 55.36 55.31 1d4b s GLN 106 Cb 0.00 -2.93 0.03 0.00 1.10 0.00 0.00 33.01 31.21 1d4b s GLN 106 CO 0.00 0.53 0.06 -1.54 -0.55 0.00 0.00 175.29 173.79 1d4b s SER 107 N -2.21 0.95 0.36 6.67 1.04 -1.26 -5.15 113.70 114.10 1d4b s SER 107 Ca 0.37 0.10 0.07 0.00 0.48 0.00 0.00 55.95 56.96 1d4b s SER 107 Cb -0.13 -0.10 -0.00 0.00 0.10 0.00 0.00 66.02 65.89 1d4b s SER 107 CO 0.22 -0.23 0.50 0.26 0.98 0.00 0.00 173.24 174.97 1d4b s TRP 108 N 2.02 3.02 0.85 5.02 0.51 -1.26 -5.11 118.94 123.99 1d4b s TRP 108 Ca 0.03 -0.28 -0.12 0.00 -2.12 0.00 0.00 56.10 53.61 1d4b s TRP 108 Cb -0.12 -2.11 0.10 0.00 -0.81 0.00 0.00 33.47 30.54 1d4b s TRP 108 CO -0.03 -0.13 1.17 -1.12 -0.51 0.00 0.00 176.95 176.33 1d4b s SER 109 N -4.22 4.12 0.18 2.95 0.01 -1.26 -4.99 113.70 110.48 1d4b s SER 109 Ca 0.48 0.81 -0.30 0.00 1.31 0.00 0.00 55.95 58.24 1d4b s SER 109 Cb -0.10 -1.30 -0.08 0.00 0.21 0.00 0.00 66.02 64.75 1d4b s SER 109 CO 0.32 -2.15 1.30 -2.16 0.41 0.00 0.00 173.24 170.95 1d4b s PRO 110 N -5.51 4.40 0.35 12.44 0.04 -1.26 -5.03 135.00 140.43 1d4b s PRO 110 Ca 0.63 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.73 1d4b s PRO 110 Cb -0.12 -3.21 -0.07 0.00 0.04 0.00 0.00 34.50 31.14 1d4b s PRO 110 CO 0.50 -0.25 0.05 0.99 0.04 0.00 0.00 177.00 178.33 1d4b s THR 111 N 0.25 1.37 0.04 1.26 2.01 -1.26 -5.08 115.64 114.23 1d4b s THR 111 Ca 0.57 -2.00 -0.33 0.00 0.31 0.00 0.00 61.69 60.24 1d4b s THR 111 Cb -0.36 -2.82 -0.12 0.00 0.01 0.00 0.00 72.50 69.22 1d4b s THR 111 CO 0.37 0.00 1.77 -2.11 -0.69 0.00 0.00 174.62 173.96 1d4b n ARG 112 N -0.78 2.29 -1.06 4.92 1.85 -1.26 -4.82 116.66 117.81 1d4b n ARG 112 Ca -0.03 0.84 -0.03 0.00 -1.00 0.00 0.00 57.85 57.62 1d4b n ARG 112 Cb 0.67 -2.67 -0.03 0.00 -1.05 0.00 0.00 32.46 29.38 1d4b n ARG 112 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1d4b n SER 113 N 5.42 -0.27 0.19 2.89 2.88 -1.26 -4.90 113.62 118.56 1d4b n SER 113 Ca 0.20 -1.90 -0.07 0.00 -1.33 0.00 0.00 58.87 55.77 1d4b n SER 113 Cb 0.31 0.07 -0.04 0.00 -0.75 0.00 0.00 64.21 63.80 1d4b n SER 113 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1d4b h GLY 114 N 0.29 -0.51 -4.96 0.46 0.00 -2.02 -3.39 103.07 92.94 1d4b h GLY 114 Ca -0.38 0.19 -0.46 0.00 0.00 0.00 0.00 47.33 46.68 1d4b h GLY 114 CO -0.13 -0.19 -1.02 -0.62 0.00 0.00 0.00 176.54 174.59 1d4b n VAL 115 N -3.64 1.44 -2.17 4.60 0.31 -1.26 -4.84 118.33 112.77 1d4b n VAL 115 Ca -0.06 -3.95 -0.06 0.00 -0.01 0.00 0.00 64.34 60.26 1d4b n VAL 115 Cb 0.19 -0.16 0.08 0.00 -0.91 0.00 0.00 33.84 33.04 1d4b n VAL 115 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1d4b n LEU 116 N -0.17 2.95 -3.91 7.52 4.77 -1.26 -5.07 117.00 121.83 1d4b n LEU 116 Ca 0.21 -3.69 -0.08 0.00 -0.03 0.00 0.00 56.01 52.42 1d4b n LEU 116 Cb 0.73 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1d4b n LEU 116 CO 0.29 1.42 0.37 -1.38 -1.33 0.00 0.00 177.39 176.75 1d4b s HIS 117 N -2.95 0.10 -0.47 -1.77 -3.43 -1.26 -5.03 115.29 100.48 1d4b s HIS 117 Ca 0.39 -0.55 0.06 0.00 -0.80 0.00 0.00 55.06 54.17 1d4b s HIS 117 Cb 0.38 0.52 0.18 0.00 -1.43 0.00 0.00 32.58 32.22 1d4b s HIS 117 CO -0.04 -1.20 0.60 -1.58 -2.00 0.00 0.00 174.74 170.52 1d4b s HIS 118 N -3.68 -0.88 0.20 0.38 2.46 -1.26 -5.13 115.29 107.37 1d4b s HIS 118 Ca 0.16 -0.94 -0.27 0.00 0.47 0.00 0.00 55.06 54.48 1d4b s HIS 118 Cb -0.04 -0.03 -0.08 0.00 -0.13 0.00 0.00 32.58 32.30 1d4b s HIS 118 CO 0.09 -1.14 0.85 -1.58 -2.47 0.00 0.00 174.74 170.49 1d4b s HIS 119 N 0.80 3.94 0.00 3.88 2.46 -1.26 -5.07 115.29 120.04 1d4b s HIS 119 Ca 0.29 1.76 0.00 0.00 0.47 0.00 0.00 55.06 57.57 1d4b s HIS 119 Cb -0.01 -2.86 0.00 0.00 -0.13 0.00 0.00 32.58 29.58 1d4b s HIS 119 CO -0.09 0.49 0.00 0.72 -2.47 0.00 0.00 174.74 173.39 1d4b n HIS 120 N 1.58 -1.68 -2.70 3.88 8.25 -1.26 -5.08 115.22 118.20 1d4b n HIS 120 Ca -0.04 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.40 1d4b n HIS 120 Cb 0.48 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.70 1d4b n HIS 120 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1d4b n HIS 121 N -0.56 -1.44 0.34 4.41 1.44 -1.26 -5.36 115.22 112.79 1d4b n HIS 121 Ca 0.00 -1.83 0.04 0.00 -2.01 0.00 0.00 57.72 53.92 1d4b n HIS 121 Cb 0.00 1.21 0.03 0.00 0.12 0.00 0.00 29.99 31.35 1d4b n HIS 121 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11