#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4b s GLU 2 N 0.00 0.57 0.09 2.12 2.02 -1.26 -5.08 118.70 117.17 1d4b s GLU 2 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.07 1d4b s GLU 2 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.49 1d4b s GLU 2 CO 0.00 -0.13 0.00 0.98 0.02 0.00 0.00 175.26 176.13 1d4b n TYR 3 N 1.90 -0.80 -3.52 1.61 9.36 -1.26 -5.12 117.16 119.33 1d4b n TYR 3 Ca -0.18 0.14 0.00 0.00 3.32 0.00 0.00 57.90 61.18 1d4b n TYR 3 Cb 0.57 0.49 -0.03 0.00 -0.63 0.00 0.00 39.34 39.73 1d4b n TYR 3 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 1d4b s LEU 4 N -5.66 -1.19 0.00 2.98 2.96 -1.26 -5.17 118.68 111.34 1d4b s LEU 4 Ca 0.00 1.39 0.00 0.00 -0.22 0.00 0.00 54.13 55.30 1d4b s LEU 4 Cb 0.00 2.26 0.00 0.00 0.50 0.00 0.00 46.19 48.95 1d4b s LEU 4 CO 0.00 -0.23 0.00 -1.20 -1.32 0.00 0.00 176.35 173.60 1d4b n SER 5 N 5.44 0.49 0.16 3.68 7.64 -1.26 -5.11 113.62 124.66 1d4b n SER 5 Ca -0.09 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.79 1d4b n SER 5 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1d4b n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1d4b n ALA 6 N -3.00 2.10 0.00 -0.43 0.00 -1.26 -5.07 120.51 112.85 1d4b n ALA 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1d4b n ALA 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -3.40 0.00 -4.50 0.00 0.00 -1.26 -5.14 117.00 102.71 1d4b n LEU 7 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 56.01 55.77 1d4b n LEU 7 Cb 0.00 0.29 -0.10 0.00 0.00 0.00 0.00 43.42 43.61 1d4b n LEU 7 CO 0.00 -0.29 -0.45 0.54 0.00 0.00 0.00 177.39 177.19 1d4b s ASN 8 N -1.60 3.66 0.13 1.96 2.20 -1.26 -5.04 114.94 115.00 1d4b s ASN 8 Ca 0.00 -1.06 -0.08 0.00 -0.94 0.00 0.00 52.86 50.78 1d4b s ASN 8 Cb 0.00 -0.33 -0.06 0.00 -2.00 0.00 0.00 41.25 38.85 1d4b s ASN 8 CO 0.00 -0.03 1.37 1.55 -2.94 0.00 0.00 177.10 177.05 1d4b h PRO 9 N 2.19 0.66 0.00 3.55 0.13 -2.03 -3.47 132.00 133.03 1d4b h PRO 9 Ca -0.41 -0.52 0.00 0.00 -0.87 0.00 0.00 66.00 64.20 1d4b h PRO 9 Cb 1.26 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1d4b h PRO 9 CO 0.63 1.14 0.00 0.45 -0.23 0.00 0.00 178.00 179.99 1d4b n SER 10 N -3.91 -0.65 -3.99 1.44 2.88 -1.26 -5.13 113.62 103.00 1d4b n SER 10 Ca -0.06 0.14 -0.08 0.00 -1.33 0.00 0.00 58.87 57.54 1d4b n SER 10 Cb 0.72 1.02 -0.08 0.00 -0.75 0.00 0.00 64.21 65.11 1d4b n SER 10 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1d4b s ASP 11 N -1.19 0.26 -0.40 -3.46 -4.77 -1.26 -5.13 116.67 100.72 1d4b s ASP 11 Ca 0.00 -0.87 0.08 0.00 -3.30 0.00 0.00 52.55 48.45 1d4b s ASP 11 Cb 0.00 0.30 0.18 0.00 -1.09 0.00 0.00 42.92 42.31 1d4b s ASP 11 CO 0.00 -0.71 0.62 -1.48 0.70 0.00 0.00 175.17 174.30 1d4b s LEU 12 N -2.92 -1.51 -0.21 2.11 2.34 -1.26 -5.11 118.68 112.12 1d4b s LEU 12 Ca 0.10 -0.70 0.00 0.00 0.06 0.00 0.00 54.13 53.59 1d4b s LEU 12 Cb 0.06 1.94 0.02 0.00 -0.56 0.00 0.00 46.19 47.65 1d4b s LEU 12 CO -0.07 -0.19 -0.13 -0.76 -1.06 0.00 0.00 176.35 174.13 1d4b s LEU 13 N 1.94 2.69 -0.11 1.48 1.43 -1.26 -5.10 118.68 119.75 1d4b s LEU 13 Ca 0.15 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 52.49 1d4b s LEU 13 Cb -0.05 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.61 1d4b s LEU 13 CO -0.09 -0.06 -0.23 -0.60 0.23 0.00 0.00 176.35 175.60 1d4b s ARG 14 N 1.29 3.01 -0.43 1.70 3.52 -1.26 -5.03 118.95 121.75 1d4b s ARG 14 Ca 0.02 -0.86 0.04 0.00 -0.13 0.00 0.00 55.73 54.79 1d4b s ARG 14 Cb -0.15 -2.33 0.27 0.00 -1.56 0.00 0.00 34.95 31.18 1d4b s ARG 14 CO -0.09 0.11 1.05 -1.13 -0.81 0.00 0.00 175.30 174.43 1d4b n SER 15 N 3.72 -2.28 -4.10 -2.12 3.41 -1.26 -5.10 113.62 105.90 1d4b n SER 15 Ca -0.19 -2.86 -0.35 0.00 -0.26 0.00 0.00 58.87 55.21 1d4b n SER 15 Cb 0.52 1.51 -0.12 0.00 -0.26 0.00 0.00 64.21 65.86 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 0.44 3.16 -0.30 -3.33 1.01 -1.26 -5.03 120.40 115.09 1d4b s VAL 16 Ca 0.28 -2.25 -0.13 0.00 0.00 0.00 0.00 61.98 59.88 1d4b s VAL 16 Cb 0.24 -3.18 0.16 0.00 0.00 0.00 0.00 36.38 33.60 1d4b s VAL 16 CO -0.17 -0.70 0.90 -0.44 0.00 0.00 0.00 175.10 174.68 1d4b s SER 17 N 1.48 -0.73 0.28 3.32 0.01 -1.26 -5.17 113.70 111.63 1d4b s SER 17 Ca 0.10 0.96 0.09 0.00 1.31 0.00 0.00 55.95 58.41 1d4b s SER 17 Cb -0.22 1.81 -0.06 0.00 0.21 0.00 0.00 66.02 67.77 1d4b s SER 17 CO -0.05 -0.14 -0.12 0.54 0.41 0.00 0.00 173.24 173.89 1d4b s ASN 18 N 2.58 3.18 0.00 2.44 2.20 -1.26 -5.14 114.94 118.95 1d4b s ASN 18 Ca -0.03 -1.12 0.00 0.00 -0.94 0.00 0.00 52.86 50.77 1d4b s ASN 18 Cb -0.08 -0.24 0.00 0.00 -2.00 0.00 0.00 41.25 38.93 1d4b s ASN 18 CO -0.18 -0.18 0.00 0.00 -2.94 0.00 0.00 177.10 173.80 1d4b n ILE 19 N -0.61 0.00 -3.64 0.54 0.13 -1.26 -5.17 119.36 109.35 1d4b n ILE 19 Ca -0.06 0.00 -0.09 0.00 -1.10 0.00 0.00 62.75 61.50 1d4b n ILE 19 Cb 0.62 0.00 -0.07 0.00 -0.84 0.00 0.00 39.64 39.35 1d4b n ILE 19 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 1d4b s SER 20 N 0.00 -0.88 -0.25 9.51 1.04 -1.26 -5.14 113.70 116.72 1d4b s SER 20 Ca 0.00 1.49 -0.03 0.00 0.48 0.00 0.00 55.95 57.89 1d4b s SER 20 Cb 0.00 1.41 0.10 0.00 0.10 0.00 0.00 66.02 67.63 1d4b s SER 20 CO 0.00 -0.24 0.21 -0.94 0.98 0.00 0.00 173.24 173.24 1d4b s SER 21 N 1.24 2.08 -1.24 7.02 1.04 -1.26 -5.06 113.70 117.53 1d4b s SER 21 Ca -0.07 -0.68 -0.09 0.00 0.48 0.00 0.00 55.95 55.59 1d4b s SER 21 Cb -0.05 0.18 0.19 0.00 0.10 0.00 0.00 66.02 66.44 1d4b s SER 21 CO -0.13 -0.37 1.73 -0.62 0.98 0.00 0.00 173.24 174.82 1d4b n GLU 22 N 5.30 3.69 -2.54 4.02 1.02 -1.26 -4.94 120.64 125.92 1d4b n GLU 22 Ca -0.05 -3.74 -0.41 0.00 -0.02 0.00 0.00 57.16 52.95 1d4b n GLU 22 Cb 0.47 -2.88 -0.03 0.00 -0.02 0.00 0.00 31.44 28.98 1d4b n GLU 22 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1d4b s PHE 23 N 0.14 2.48 -0.35 -0.32 5.36 -1.26 -4.93 117.98 119.09 1d4b s PHE 23 Ca 0.39 -0.71 0.01 0.00 -0.96 0.00 0.00 56.93 55.66 1d4b s PHE 23 Cb 0.06 -4.67 0.09 0.00 -0.34 0.00 0.00 43.02 38.17 1d4b s PHE 23 CO 0.01 -1.95 0.08 0.20 -1.46 0.00 0.00 175.22 172.11 1d4b s GLY 24 N 4.97 1.91 -0.45 13.12 0.00 -1.26 -4.95 107.32 120.66 1d4b s GLY 24 Ca 0.46 -2.39 0.05 0.00 0.00 0.00 0.00 44.72 42.84 1d4b s GLY 24 CO -0.07 0.92 1.00 0.54 0.00 0.00 0.00 173.10 175.48 1d4b n ARG 25 N 4.43 0.70 -3.43 2.90 1.74 -1.26 -5.07 116.66 116.66 1d4b n ARG 25 Ca -0.02 -1.57 -0.28 0.00 -0.77 0.00 0.00 57.85 55.22 1d4b n ARG 25 Cb 0.42 -1.16 -0.11 0.00 -1.02 0.00 0.00 32.46 30.59 1d4b n ARG 25 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1d4b s ARG 26 N 0.51 0.81 -0.20 5.56 0.52 -1.26 -4.95 118.95 119.94 1d4b s ARG 26 Ca 0.29 -1.86 0.15 0.00 -0.52 0.00 0.00 55.73 53.79 1d4b s ARG 26 Cb 0.24 -1.41 0.45 0.00 0.52 0.00 0.00 34.95 34.75 1d4b s ARG 26 CO -0.19 -1.32 1.18 1.33 0.02 0.00 0.00 175.30 176.31 1d4b n VAL 27 N 3.25 1.66 -4.79 3.52 0.24 -1.26 -5.05 118.33 115.89 1d4b n VAL 27 Ca 0.23 -3.02 -0.33 0.00 -2.04 0.00 0.00 64.34 59.19 1d4b n VAL 27 Cb 0.44 0.07 -0.13 0.00 -1.47 0.00 0.00 33.84 32.75 1d4b n VAL 27 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1d4b s TRP 28 N -2.82 2.74 0.00 6.34 0.52 -1.26 -4.92 118.94 119.54 1d4b s TRP 28 Ca 0.39 -0.13 0.00 0.00 0.02 0.00 0.00 56.10 56.38 1d4b s TRP 28 Cb 0.38 -1.62 0.00 0.00 -1.15 0.00 0.00 33.47 31.07 1d4b s TRP 28 CO -0.05 0.23 0.00 -2.37 0.02 0.00 0.00 176.95 174.78 1d4b n THR 29 N 2.15 0.00 -3.20 2.01 5.66 -1.26 -5.02 114.28 114.62 1d4b n THR 29 Ca -0.17 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.60 1d4b n THR 29 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 1d4b n THR 29 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1d4b n SER 30 N -1.02 0.82 0.28 1.09 7.64 -1.26 -4.97 113.62 116.20 1d4b n SER 30 Ca 0.00 -2.88 -0.16 0.00 1.01 0.00 0.00 58.87 56.83 1d4b n SER 30 Cb 0.00 -0.63 -0.08 0.00 -1.01 0.00 0.00 64.21 62.48 1d4b n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1d4b h ALA 31 N 3.69 -0.67 -2.64 -0.43 0.00 -1.97 -3.42 119.26 113.82 1d4b h ALA 31 Ca 0.09 -0.15 -0.52 0.00 0.00 0.00 0.00 54.91 54.33 1d4b h ALA 31 Cb 0.87 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1d4b h ALA 31 CO 0.52 -0.86 0.52 -1.25 0.00 0.00 0.00 179.25 178.17 1d4b s PRO 32 N -5.99 4.53 0.83 0.00 0.04 -1.26 -5.02 135.00 128.12 1d4b s PRO 32 Ca -0.16 1.79 -0.12 0.00 0.04 0.00 0.00 61.00 62.55 1d4b s PRO 32 Cb 0.04 -3.27 0.09 0.00 0.04 0.00 0.00 34.50 31.40 1d4b s PRO 32 CO 0.62 -0.04 1.11 -1.25 0.04 0.00 0.00 177.00 177.48 1d4b s PRO 33 N -0.14 1.85 0.79 0.56 0.04 -1.26 -5.04 135.00 131.80 1d4b s PRO 33 Ca 0.52 0.56 -0.11 0.00 0.04 0.00 0.00 61.00 62.01 1d4b s PRO 33 Cb -0.31 -1.90 0.07 0.00 0.04 0.00 0.00 34.50 32.40 1d4b s PRO 33 CO 0.35 -1.77 1.09 -1.25 0.04 0.00 0.00 177.00 175.46 1d4b s PRO 34 N -5.18 2.12 -0.17 0.56 0.04 -1.26 -5.00 135.00 126.12 1d4b s PRO 34 Ca 0.61 0.81 -0.06 0.00 0.04 0.00 0.00 61.00 62.40 1d4b s PRO 34 Cb -0.15 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1d4b s PRO 34 CO 0.54 -1.63 0.04 -1.14 0.04 0.00 0.00 177.00 174.84 1d4b s GLN 35 N -5.06 3.82 -0.06 4.56 0.74 -1.26 -4.68 119.66 117.72 1d4b s GLN 35 Ca 0.61 -0.38 -0.06 0.00 0.05 0.00 0.00 55.36 55.57 1d4b s GLN 35 Cb -0.15 -3.11 0.02 0.00 1.10 0.00 0.00 33.01 30.86 1d4b s GLN 35 CO 0.55 0.31 0.17 0.50 -0.55 0.00 0.00 175.29 176.27 1d4b s ARG 36 N 0.24 0.20 -0.69 1.67 6.06 -1.25 -4.97 118.95 120.21 1d4b s ARG 36 Ca 0.02 0.24 -0.26 0.00 -2.50 0.00 0.00 55.73 53.23 1d4b s ARG 36 Cb -0.13 0.09 -0.01 0.00 0.06 0.00 0.00 34.95 34.96 1d4b s ARG 36 CO 0.01 -0.03 1.77 -1.25 -2.50 0.00 0.00 175.30 173.30 1d4b s PRO 37 N 0.11 2.74 -0.24 5.12 0.04 -1.26 -2.73 135.00 138.78 1d4b s PRO 37 Ca -0.00 0.27 -0.24 0.00 0.04 0.00 0.00 61.00 61.07 1d4b s PRO 37 Cb -0.01 -4.50 -0.01 0.00 0.04 0.00 0.00 34.50 30.02 1d4b s PRO 37 CO 0.00 -2.72 0.80 -0.06 0.04 0.00 0.00 177.00 175.06 1d4b s PHE 38 N 8.56 3.31 -0.37 0.56 0.08 -0.82 -4.79 117.98 124.52 1d4b s PHE 38 Ca 0.62 1.10 -0.29 0.00 0.12 0.00 0.00 56.93 58.48 1d4b s PHE 38 Cb -0.10 -3.02 0.01 0.00 -0.57 0.00 0.00 43.02 39.34 1d4b s PHE 38 CO 0.15 -0.38 1.29 0.50 -0.10 0.00 0.00 175.22 176.68 1d4b s ARG 39 N 2.74 3.78 0.07 0.44 3.52 -1.26 -3.46 118.95 124.78 1d4b s ARG 39 Ca 0.34 1.00 0.01 0.00 -0.13 0.00 0.00 55.73 56.95 1d4b s ARG 39 Cb -0.15 -3.92 -0.04 0.00 -1.56 0.00 0.00 34.95 29.28 1d4b s ARG 39 CO 0.08 -1.30 0.17 0.08 -0.81 0.00 0.00 175.30 173.52 1d4b s VAL 40 N 4.67 5.13 0.07 7.11 1.01 -1.00 -4.32 120.40 133.07 1d4b s VAL 40 Ca 0.55 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1d4b s VAL 40 Cb -0.13 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1d4b s VAL 40 CO 0.27 0.14 -0.09 0.00 0.00 0.00 0.00 175.10 175.42 1d4b s ASP 42 N -2.14 4.45 0.00 0.00 -1.08 -0.10 -4.27 116.67 113.52 1d4b s ASP 42 Ca -0.00 -0.32 0.00 0.00 -0.52 0.00 0.00 52.55 51.71 1d4b s ASP 42 Cb -0.05 -0.11 0.00 0.00 -1.46 0.00 0.00 42.92 41.30 1d4b s ASP 42 CO -0.00 -1.79 0.13 1.57 0.52 0.00 0.00 175.17 175.60 1d4b n HIS 43 N -2.79 0.00 0.00 -5.34 -0.00 -1.26 -4.43 115.22 101.40 1d4b n HIS 43 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.86 1d4b n HIS 43 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.59 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 -0.30 0.00 -0.36 1.57 3.00 -1.26 -4.94 118.16 115.87 1d4b n LYS 44 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 1d4b n LYS 44 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 35.03 34.34 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 -2.30 0.00 0.05 1.64 0.63 -1.26 -4.97 116.66 110.45 1d4b n ARG 45 Ca 0.00 -0.26 -0.11 0.00 -0.92 0.00 0.00 57.85 56.56 1d4b n ARG 45 Cb 0.00 -0.15 -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 4.89 0.64 -3.47 5.15 1.35 -1.92 -3.42 112.91 116.12 1d4b h THR 46 Ca 0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 66.41 65.52 1d4b h THR 46 Cb 1.09 0.64 -0.35 0.00 -1.73 0.00 0.00 68.15 67.80 1d4b h THR 46 CO 0.00 0.00 -0.74 -0.63 -0.25 0.00 0.00 175.52 173.90 1d4b s ILE 47 N -6.14 0.13 -0.30 6.82 1.01 -1.26 -5.03 121.20 116.42 1d4b s ILE 47 Ca -0.14 0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.61 1d4b s ILE 47 Cb 0.09 -0.24 0.11 0.00 0.01 0.00 0.00 42.46 42.42 1d4b s ILE 47 CO 0.67 0.14 0.15 -0.60 0.00 0.00 0.00 174.94 175.30 1d4b s ARG 48 N 1.16 0.26 0.03 2.79 3.52 -1.26 -0.92 118.95 124.53 1d4b s ARG 48 Ca -0.08 -0.67 -0.01 0.00 -0.13 0.00 0.00 55.73 54.85 1d4b s ARG 48 Cb -0.13 -1.17 -0.03 0.00 -1.56 0.00 0.00 34.95 32.06 1d4b s ARG 48 CO -0.02 -1.06 -0.02 0.21 -0.81 0.00 0.00 175.30 173.60 1d4b s LYS 49 N 1.92 0.44 -0.10 5.12 2.47 -1.14 -5.03 119.74 123.42 1d4b s LYS 49 Ca 0.11 -0.83 0.04 0.00 -1.56 0.00 0.00 55.97 53.72 1d4b s LYS 49 Cb -0.17 0.15 -0.00 0.00 -1.46 0.00 0.00 37.83 36.35 1d4b s LYS 49 CO -0.30 -0.08 -0.24 0.20 0.16 0.00 0.00 175.35 175.09 1d4b s GLY 50 N -2.02 1.33 0.21 5.54 0.00 -1.26 -2.39 107.32 108.73 1d4b s GLY 50 Ca -0.07 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 43.70 1d4b s GLY 50 CO -0.04 -0.36 -0.01 1.08 0.00 0.00 0.00 173.10 173.76 1d4b s LEU 51 N 0.29 2.20 -0.24 0.66 1.43 -1.22 -4.92 118.68 116.87 1d4b s LEU 51 Ca -0.17 -1.19 -0.29 0.00 -1.03 0.00 0.00 54.13 51.45 1d4b s LEU 51 Cb -0.18 -0.23 0.01 0.00 0.03 0.00 0.00 46.19 45.83 1d4b s LEU 51 CO 0.08 -0.51 1.02 0.42 0.23 0.00 0.00 176.35 177.60 1d4b s THR 52 N -3.47 4.68 -0.00 5.49 -4.23 -1.26 -1.94 115.64 114.91 1d4b s THR 52 Ca 0.26 1.96 0.01 0.00 -1.18 0.00 0.00 61.69 62.74 1d4b s THR 52 Cb 0.05 -4.30 -0.00 0.00 1.34 0.00 0.00 72.50 69.59 1d4b s THR 52 CO 0.07 -0.19 -0.02 0.00 -0.54 0.00 0.00 174.62 173.94 1d4b s ALA 53 N 3.20 0.16 -0.29 3.99 0.00 -1.10 -4.94 121.76 122.78 1d4b s ALA 53 Ca 0.43 -0.08 -0.04 0.00 0.00 0.00 0.00 51.96 52.28 1d4b s ALA 53 Cb -0.15 -0.05 0.10 0.00 0.00 0.00 0.00 23.12 23.03 1d4b s ALA 53 CO 0.07 0.04 0.13 0.00 0.00 0.00 0.00 175.76 176.00 1d4b s ALA 54 N -0.02 0.62 -0.03 0.00 0.00 -1.26 -3.78 121.76 117.28 1d4b s ALA 54 Ca 0.00 -1.09 -0.14 0.00 0.00 0.00 0.00 51.96 50.73 1d4b s ALA 54 Cb -0.01 -1.39 0.02 0.00 0.00 0.00 0.00 23.12 21.74 1d4b s ALA 54 CO -0.00 -1.65 0.30 0.99 0.00 0.00 0.00 175.76 175.40 1d4b s THR 55 N 2.09 0.05 0.00 0.00 2.01 -1.26 -4.93 115.64 113.60 1d4b s THR 55 Ca 0.09 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.68 1d4b s THR 55 Cb -0.16 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 71.77 1d4b s THR 55 CO -0.37 -0.23 0.00 -1.14 -0.69 0.00 0.00 174.62 172.20 1d4b n ARG 56 N 1.54 0.00 -0.02 4.92 0.63 -1.26 -4.37 116.66 118.10 1d4b n ARG 56 Ca -0.20 0.12 -0.22 0.00 -0.92 0.00 0.00 57.85 56.63 1d4b n ARG 56 Cb 0.56 -0.48 -0.13 0.00 0.45 0.00 0.00 32.46 32.85 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 -1.68 0.71 0.00 -0.14 7.27 -1.26 -4.00 117.38 118.28 1d4b n GLN 57 Ca 0.00 0.34 0.07 0.00 0.07 0.00 0.00 57.00 57.48 1d4b n GLN 57 Cb 0.00 -1.72 0.38 0.00 2.41 0.00 0.00 30.24 31.31 1d4b n GLN 57 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1d4b n GLU 58 N -3.72 0.20 -0.22 3.69 2.13 -1.26 -3.23 120.64 118.23 1d4b n GLU 58 Ca -0.32 0.15 -0.03 0.00 0.66 0.00 0.00 57.16 57.62 1d4b n GLU 58 Cb 0.96 -1.50 0.07 0.00 0.27 0.00 0.00 31.44 31.24 1d4b n GLU 58 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1d4b h LEU 59 N 0.00 0.57 -0.99 4.31 5.85 -1.76 -1.84 115.31 121.45 1d4b h LEU 59 Ca 0.00 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1d4b h LEU 59 Cb 0.15 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 1d4b h LEU 59 CO 0.00 0.39 0.64 0.25 -0.34 0.00 0.00 178.44 179.38 1d4b h LEU 60 N 0.71 1.04 -2.07 2.25 5.85 -1.82 -0.35 115.31 120.92 1d4b h LEU 60 Ca 0.27 0.00 0.11 0.00 0.84 0.00 0.00 57.88 59.09 1d4b h LEU 60 Cb 0.09 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1d4b h LEU 60 CO -0.14 0.69 0.32 0.00 -0.34 0.00 0.00 178.44 178.97 1d4b h ALA 61 N 1.43 2.17 -0.23 1.25 0.00 -1.54 -1.37 119.26 120.97 1d4b h ALA 61 Ca 0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1d4b h ALA 61 Cb 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1d4b h ALA 61 CO -0.15 -0.50 0.11 -0.22 0.00 0.00 0.00 179.25 178.49 1d4b h LYS 62 N 0.00 0.33 -1.01 0.00 3.64 -0.99 -2.05 116.57 116.49 1d4b h LYS 62 Ca 0.17 -0.05 0.24 0.00 -1.27 0.00 0.00 60.65 59.75 1d4b h LYS 62 Cb 0.80 -0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.44 1d4b h LYS 62 CO -0.00 0.34 0.60 0.00 -2.27 0.00 0.00 179.45 178.12 1d4b h ALA 63 N 0.98 1.82 -0.05 5.00 0.00 -1.32 0.32 119.26 126.00 1d4b h ALA 63 Ca 0.08 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1d4b h ALA 63 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1d4b h ALA 63 CO -0.01 -0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.24 1d4b n LEU 64 N -4.85 0.05 -0.07 0.00 4.77 -1.02 -4.13 117.00 111.75 1d4b n LEU 64 Ca 0.26 0.55 0.23 0.00 -0.03 0.00 0.00 56.01 57.02 1d4b n LEU 64 Cb 0.74 -0.49 0.69 0.00 -2.33 0.00 0.00 43.42 42.03 1d4b n LEU 64 CO 0.18 -0.49 1.21 -0.08 -1.33 0.00 0.00 177.39 176.88 1d4b h GLU 65 N 0.00 0.03 -0.62 3.23 4.22 -1.32 -0.87 114.58 119.26 1d4b h GLU 65 Ca 0.00 -0.00 0.11 0.00 0.08 0.00 0.00 59.36 59.55 1d4b h GLU 65 Cb 0.00 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.16 1d4b h GLU 65 CO 0.00 0.02 0.15 0.00 -2.18 0.00 0.00 179.01 177.00 1d4b h THR 66 N 0.03 0.65 0.00 0.32 1.03 -0.52 -3.32 112.91 111.11 1d4b h THR 66 Ca 0.32 -0.10 -0.35 0.00 -0.01 0.00 0.00 66.41 66.27 1d4b h THR 66 Cb 1.22 0.34 -0.05 0.00 -1.07 0.00 0.00 68.15 68.59 1d4b h THR 66 CO -0.01 0.05 -2.14 0.18 -0.01 0.00 0.00 175.52 173.59 1d4b n LEU 67 N -5.11 1.84 -3.80 0.00 4.77 -0.94 -5.04 117.00 108.73 1d4b n LEU 67 Ca 0.09 0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 56.27 1d4b n LEU 67 Cb 0.33 -0.75 -0.11 0.00 -2.33 0.00 0.00 43.42 40.55 1d4b n LEU 67 CO 0.18 0.37 -0.09 -0.76 -1.33 0.00 0.00 177.39 175.76 1d4b s LEU 68 N -7.50 1.10 -0.17 2.23 1.43 -0.37 -5.14 118.68 110.26 1d4b s LEU 68 Ca -0.34 0.32 -0.20 0.00 -1.03 0.00 0.00 54.13 52.88 1d4b s LEU 68 Cb 0.12 0.89 -0.03 0.00 0.03 0.00 0.00 46.19 47.20 1d4b s LEU 68 CO 0.45 -0.19 0.58 -1.48 0.23 0.00 0.00 176.35 175.94 1d4b s LEU 69 N -0.34 4.18 0.11 1.79 0.05 -1.26 -3.32 118.68 119.90 1d4b s LEU 69 Ca -0.04 0.82 0.01 0.00 0.05 0.00 0.00 54.13 54.96 1d4b s LEU 69 Cb -0.03 -2.83 -0.04 0.00 -2.05 0.00 0.00 46.19 41.24 1d4b s LEU 69 CO 0.01 -0.18 -0.02 0.21 -0.55 0.00 0.00 176.35 175.82 1d4b s ASN 70 N 1.05 0.87 -0.03 1.48 2.47 -1.26 -5.03 114.94 114.49 1d4b s ASN 70 Ca 0.28 -1.08 -0.04 0.00 0.42 0.00 0.00 52.86 52.43 1d4b s ASN 70 Cb -0.16 0.16 -0.28 0.00 -1.45 0.00 0.00 41.25 39.52 1d4b s ASN 70 CO 0.11 -0.57 0.73 1.23 -3.72 0.00 0.00 177.10 174.88 1d4b h GLY 71 N 2.92 0.31 -6.34 1.21 0.00 -2.04 -3.46 103.07 95.67 1d4b h GLY 71 Ca -0.35 -0.80 -0.40 0.00 0.00 0.00 0.00 47.33 45.77 1d4b h GLY 71 CO 0.63 0.70 -0.77 0.14 0.00 0.00 0.00 176.54 177.25 1d4b s VAL 72 N -2.60 0.47 -0.03 4.60 1.01 -1.26 -5.14 120.40 117.46 1d4b s VAL 72 Ca -0.12 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 1d4b s VAL 72 Cb 0.06 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.93 1d4b s VAL 72 CO 0.84 0.22 0.10 -0.22 0.00 0.00 0.00 175.10 176.04 1d4b s LEU 73 N 1.06 1.63 -0.27 3.92 1.98 -1.26 -5.06 118.68 120.67 1d4b s LEU 73 Ca -0.09 0.09 -0.15 0.00 -2.89 0.00 0.00 54.13 51.10 1d4b s LEU 73 Cb -0.14 0.41 -0.04 0.00 0.66 0.00 0.00 46.19 47.08 1d4b s LEU 73 CO -0.01 -0.12 0.36 0.42 -1.89 0.00 0.00 176.35 175.11 1d4b s THR 74 N -0.31 5.19 -0.02 3.68 -4.23 -1.24 -5.00 115.64 113.70 1d4b s THR 74 Ca -0.04 0.53 -0.16 0.00 -1.18 0.00 0.00 61.69 60.83 1d4b s THR 74 Cb -0.03 -3.68 -0.05 0.00 1.34 0.00 0.00 72.50 70.07 1d4b s THR 74 CO 0.00 0.16 0.45 -0.76 -0.54 0.00 0.00 174.62 173.94 1d4b s LEU 75 N 2.04 4.43 0.20 4.79 1.43 -1.06 -3.81 118.68 126.69 1d4b s LEU 75 Ca 0.14 0.97 -0.05 0.00 -1.03 0.00 0.00 54.13 54.16 1d4b s LEU 75 Cb -0.16 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 1d4b s LEU 75 CO 0.10 0.23 0.24 0.68 0.23 0.00 0.00 176.35 177.83 1d4b s VAL 76 N -0.62 0.02 -0.04 -1.59 -7.23 -1.24 0.41 120.40 110.11 1d4b s VAL 76 Ca 0.25 -1.74 -0.02 0.00 -1.81 0.00 0.00 61.98 58.66 1d4b s VAL 76 Cb -0.17 -2.27 0.03 0.00 0.56 0.00 0.00 36.38 34.53 1d4b s VAL 76 CO 0.13 -0.09 0.07 -1.48 -0.31 0.00 0.00 175.10 173.42 1d4b s LEU 77 N -3.08 0.22 0.26 1.32 2.34 -1.16 -3.96 118.68 114.62 1d4b s LEU 77 Ca 0.30 0.11 0.24 0.00 0.06 0.00 0.00 54.13 54.84 1d4b s LEU 77 Cb 0.04 -0.08 0.97 0.00 -0.56 0.00 0.00 46.19 46.57 1d4b s LEU 77 CO 0.08 -0.24 1.72 1.21 -1.06 0.00 0.00 176.35 178.07 1d4b n GLU 78 N 5.17 0.21 0.00 1.48 2.13 -1.26 -1.85 120.64 126.52 1d4b n GLU 78 Ca -0.06 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.16 1d4b n GLU 78 Cb 0.50 -1.87 0.00 0.00 0.27 0.00 0.00 31.44 30.34 1d4b n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1d4b n GLU 79 N -2.26 0.00 0.02 5.31 2.13 -1.26 -3.91 120.64 120.67 1d4b n GLU 79 Ca 0.02 0.54 -0.02 0.00 0.66 0.00 0.00 57.16 58.37 1d4b n GLU 79 Cb 0.25 -1.45 -0.09 0.00 0.27 0.00 0.00 31.44 30.42 1d4b n GLU 79 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1d4b h ASP 80 N 0.00 0.00 -1.33 4.31 3.58 -2.01 -3.49 116.42 117.48 1d4b h ASP 80 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1d4b h ASP 80 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1d4b h ASP 80 CO 0.00 0.69 0.00 0.61 -2.88 0.00 0.00 179.24 177.66 1d4b n GLY 81 N 1.43 0.76 2.98 -0.78 0.00 -0.77 -5.11 105.19 103.70 1d4b n GLY 81 Ca -0.11 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.33 0.10 0.51 2.61 2.01 -1.23 -5.02 115.64 112.29 1d4b s THR 82 Ca 0.00 -0.84 -0.08 0.00 0.31 0.00 0.00 61.69 61.08 1d4b s THR 82 Cb 0.00 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 1d4b s THR 82 CO 0.00 -0.46 0.85 0.00 -0.69 0.00 0.00 174.62 174.32 1d4b s ALA 83 N -1.37 3.30 -0.03 7.40 0.00 -1.26 -3.00 121.76 126.80 1d4b s ALA 83 Ca -0.15 -0.33 -0.07 0.00 0.00 0.00 0.00 51.96 51.41 1d4b s ALA 83 Cb -0.09 -2.75 0.01 0.00 0.00 0.00 0.00 23.12 20.29 1d4b s ALA 83 CO -0.01 -0.38 0.17 0.08 0.00 0.00 0.00 175.76 175.62 1d4b s VAL 84 N -2.79 0.04 0.00 0.00 1.01 0.16 -4.95 120.40 113.88 1d4b s VAL 84 Ca 0.50 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1d4b s VAL 84 Cb -0.10 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.92 1d4b s VAL 84 CO 0.45 -0.19 0.73 -0.90 0.00 0.00 0.00 175.10 175.19 1d4b n ASP 85 N 2.19 0.00 -3.55 3.32 5.68 -1.26 -2.58 116.55 120.35 1d4b n ASP 85 Ca -0.18 -1.54 -0.14 0.00 -0.50 0.00 0.00 54.79 52.43 1d4b n ASP 85 Cb 0.57 -0.11 -0.06 0.00 -1.14 0.00 0.00 41.12 40.38 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 -0.54 0.80 0.05 -1.12 0.15 -1.26 -5.01 113.70 106.78 1d4b s SER 86 Ca 0.00 -1.45 0.09 0.00 0.70 0.00 0.00 55.95 55.29 1d4b s SER 86 Cb 0.00 0.58 0.42 0.00 -1.71 0.00 0.00 66.02 65.30 1d4b s SER 86 CO 0.00 -1.14 1.29 1.21 1.20 0.00 0.00 173.24 175.80 1d4b n GLU 87 N -0.50 0.03 0.00 5.44 0.00 -1.26 -2.43 120.64 121.93 1d4b n GLU 87 Ca 0.02 0.42 0.02 0.00 0.00 0.00 0.00 57.16 57.63 1d4b n GLU 87 Cb 0.63 -1.58 0.10 0.00 0.00 0.00 0.00 31.44 30.59 1d4b n GLU 87 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1d4b n ASP 88 N -1.64 0.00 0.00 4.31 2.03 -1.26 -3.82 116.55 116.17 1d4b n ASP 88 Ca 0.01 0.48 0.00 0.00 0.52 0.00 0.00 54.79 55.81 1d4b n ASP 88 Cb 0.08 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 1d4b n ASP 88 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1d4b n PHE 89 N -1.49 0.00 0.23 -0.67 7.35 -1.02 -0.02 117.46 121.84 1d4b n PHE 89 Ca 0.01 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.86 1d4b n PHE 89 Cb 0.05 -0.44 0.82 0.00 0.35 0.00 0.00 39.48 40.26 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 0.00 0.00 -5.13 0.04 -1.89 0.13 116.94 110.09 1d4b h PHE 90 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1d4b h PHE 90 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1d4b h PHE 90 CO -0.73 0.00 0.00 0.94 -0.60 0.00 0.00 178.31 177.92 1d4b n GLN 91 N -3.96 0.03 0.09 1.51 -0.06 0.79 -3.16 117.38 112.63 1d4b n GLN 91 Ca -0.00 0.07 0.09 0.00 -2.00 0.00 0.00 57.00 55.16 1d4b n GLN 91 Cb 0.23 -1.53 -0.01 0.00 -4.06 0.00 0.00 30.24 24.86 1d4b n GLN 91 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1d4b h LEU 92 N 0.00 0.00 -9.24 1.69 5.85 0.24 -3.47 115.31 110.38 1d4b h LEU 92 Ca 0.00 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.19 1d4b h LEU 92 Cb 0.48 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.37 1d4b h LEU 92 CO 0.00 0.12 -0.67 -0.76 -0.34 0.00 0.00 178.44 176.79 1d4b s LEU 93 N -5.48 2.55 1.27 2.25 1.02 -1.19 -5.12 118.68 113.99 1d4b s LEU 93 Ca -0.01 -1.20 -0.19 0.00 0.02 0.00 0.00 54.13 52.75 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 0.79 -0.31 1.02 -1.61 0.02 0.00 0.00 176.35 176.25 1d4b s GLU 94 N -3.70 -1.73 0.03 1.70 8.01 -1.26 -4.84 118.70 116.91 1d4b s GLU 94 Ca 0.31 0.26 -0.30 0.00 0.01 0.00 0.00 54.97 55.25 1d4b s GLU 94 Cb 0.04 -1.51 -0.08 0.00 -4.31 0.00 0.00 34.13 28.27 1d4b s GLU 94 CO 0.14 -4.12 1.86 0.34 0.01 0.00 0.00 175.26 173.49 1d4b s ASP 95 N -3.24 6.50 0.14 -0.19 2.15 -1.26 -4.91 116.67 115.86 1d4b s ASP 95 Ca 0.69 2.58 -0.24 0.00 0.43 0.00 0.00 52.55 56.01 1d4b s ASP 95 Cb -0.15 -2.54 0.08 0.00 -0.30 0.00 0.00 42.92 40.01 1d4b s ASP 95 CO 0.59 -1.01 1.05 1.51 -0.17 0.00 0.00 175.17 177.14 1d4b s ASP 96 N 3.86 -0.06 -0.31 -0.34 1.47 -1.26 -5.13 116.67 114.91 1d4b s ASP 96 Ca 0.83 -0.51 0.02 0.00 1.18 0.00 0.00 52.55 54.07 1d4b s ASP 96 Cb -0.41 0.44 0.09 0.00 -0.34 0.00 0.00 42.92 42.71 1d4b s ASP 96 CO 0.38 -0.86 0.05 -0.89 0.68 0.00 0.00 175.17 174.53 1d4b s THR 97 N -2.52 1.60 -0.04 2.11 2.01 -1.26 -5.06 115.64 112.48 1d4b s THR 97 Ca 0.19 -1.76 -0.02 0.00 0.31 0.00 0.00 61.69 60.41 1d4b s THR 97 Cb -0.01 -2.12 0.02 0.00 0.01 0.00 0.00 72.50 70.40 1d4b s THR 97 CO 0.03 -0.52 0.08 0.00 -0.69 0.00 0.00 174.62 173.52 1d4b s LEU 99 N 0.69 1.81 -0.08 0.00 0.20 -1.26 -4.95 118.68 115.09 1d4b s LEU 99 Ca -0.05 0.06 -0.05 0.00 0.69 0.00 0.00 54.13 54.77 1d4b s LEU 99 Cb -0.08 0.20 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 -0.12 0.19 -0.15 1.98 1.75 -1.25 -4.18 119.30 117.52 1d4b s MET 100 Ca -0.02 0.39 -0.03 0.00 -1.25 0.00 0.00 55.69 54.78 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 0.06 0.08 -0.65 0.00 0.00 175.02 174.40 1d4b s VAL 101 N 0.78 0.16 0.30 10.11 1.01 -1.26 -3.66 120.40 127.84 1d4b s VAL 101 Ca -0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1d4b s VAL 101 Cb -0.07 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 1d4b s VAL 101 CO -0.04 -0.12 0.41 -1.48 0.00 0.00 0.00 175.10 173.87 1d4b s LEU 102 N 2.03 0.90 0.59 3.92 2.34 -1.25 -4.81 118.68 122.39 1d4b s LEU 102 Ca 0.02 -1.34 -0.11 0.00 0.06 0.00 0.00 54.13 52.76 1d4b s LEU 102 Cb -0.15 1.33 -0.04 0.00 -0.56 0.00 0.00 46.19 46.77 1d4b s LEU 102 CO -0.07 -1.18 0.99 -1.58 -1.06 0.00 0.00 176.35 173.45 1d4b s GLN 103 N -3.48 3.63 1.17 1.48 0.74 -1.26 -3.63 119.66 118.30 1d4b s GLN 103 Ca 0.30 0.69 -0.17 0.00 0.05 0.00 0.00 55.36 56.24 1d4b s GLN 103 Cb 0.01 -2.13 0.27 0.00 1.10 0.00 0.00 33.01 32.26 1d4b s GLN 103 CO 0.17 -0.48 1.07 -1.54 -0.55 0.00 0.00 175.29 173.95 1d4b s SER 104 N -4.04 1.17 0.00 6.67 1.04 -1.26 -4.43 113.70 112.84 1d4b s SER 104 Ca 0.54 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.91 1d4b s SER 104 Cb -0.11 -1.41 0.00 0.00 0.10 0.00 0.00 66.02 64.61 1d4b s SER 104 CO 0.50 -4.01 0.00 0.61 0.98 0.00 0.00 173.24 171.33 1d4b n GLY 105 N -0.47 1.18 3.03 7.32 0.00 -1.26 -5.08 105.19 109.91 1d4b n GLY 105 Ca 0.09 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.49 0.44 0.39 1.61 0.74 -1.26 -5.17 119.66 113.92 1d4b s GLN 106 Ca 0.00 -0.85 0.03 0.00 0.05 0.00 0.00 55.36 54.59 1d4b s GLN 106 Cb 0.00 0.13 -0.04 0.00 1.10 0.00 0.00 33.01 34.20 1d4b s GLN 106 CO 0.00 -0.07 0.09 -1.12 -0.55 0.00 0.00 175.29 173.65 1d4b s SER 107 N -2.03 2.75 0.13 6.67 0.01 -1.26 -5.12 113.70 114.85 1d4b s SER 107 Ca -0.07 -1.57 -0.30 0.00 1.31 0.00 0.00 55.95 55.32 1d4b s SER 107 Cb -0.03 0.30 -0.06 0.00 0.21 0.00 0.00 66.02 66.44 1d4b s SER 107 CO -0.04 -0.81 0.96 0.26 0.41 0.00 0.00 173.24 174.02 1d4b s TRP 108 N -3.22 3.83 -0.30 2.43 0.51 -1.26 -5.02 118.94 115.91 1d4b s TRP 108 Ca 0.27 1.81 -0.14 0.00 -2.12 0.00 0.00 56.10 55.92 1d4b s TRP 108 Cb 0.05 -3.05 -0.03 0.00 -0.81 0.00 0.00 33.47 29.62 1d4b s TRP 108 CO 0.14 0.21 0.32 0.45 -0.51 0.00 0.00 176.95 177.56 1d4b s SER 109 N -0.19 6.16 0.68 2.95 0.15 -1.26 -5.07 113.70 117.13 1d4b s SER 109 Ca 0.46 -0.02 -0.13 0.00 0.70 0.00 0.00 55.95 56.96 1d4b s SER 109 Cb -0.24 -2.18 0.01 0.00 -1.71 0.00 0.00 66.02 61.90 1d4b s SER 109 CO 0.30 -0.22 1.08 -2.16 1.20 0.00 0.00 173.24 173.45 1d4b s PRO 110 N 1.96 2.81 0.06 5.44 0.04 -1.26 -5.05 135.00 139.00 1d4b s PRO 110 Ca 0.11 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.37 1d4b s PRO 110 Cb -0.16 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1d4b s PRO 110 CO 0.11 -1.22 0.09 0.99 0.04 0.00 0.00 177.00 177.01 1d4b s THR 111 N -2.65 4.68 0.05 1.26 2.01 -1.26 -5.11 115.64 114.61 1d4b s THR 111 Ca 0.63 -0.63 -0.19 0.00 0.31 0.00 0.00 61.69 61.80 1d4b s THR 111 Cb -0.17 -3.23 0.04 0.00 0.01 0.00 0.00 72.50 69.15 1d4b s THR 111 CO 0.47 0.19 0.45 0.00 -0.69 0.00 0.00 174.62 175.03 1d4b s ARG 112 N -2.23 0.97 0.00 4.92 3.03 -1.26 -5.12 118.95 119.25 1d4b s ARG 112 Ca 0.28 -0.34 0.00 0.00 2.03 0.00 0.00 55.73 57.70 1d4b s ARG 112 Cb -0.12 0.43 0.00 0.00 -1.03 0.00 0.00 34.95 34.23 1d4b s ARG 112 CO 0.21 -0.34 0.02 0.43 -1.13 0.00 0.00 175.30 174.48 1d4b n SER 113 N 0.43 0.00 -4.88 -2.89 7.64 -1.26 -4.92 113.62 107.74 1d4b n SER 113 Ca -0.18 0.02 -0.30 0.00 1.01 0.00 0.00 58.87 59.42 1d4b n SER 113 Cb 0.60 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.78 1d4b n SER 113 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1d4b s GLY 114 N -0.52 1.79 1.00 0.23 0.00 -1.26 -5.05 107.32 103.52 1d4b s GLY 114 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 44.72 44.35 1d4b s GLY 114 CO 0.00 -0.06 1.09 0.54 0.00 0.00 0.00 173.10 174.67 1d4b s VAL 115 N -2.59 2.21 -0.17 1.40 0.11 -1.26 -5.00 120.40 115.11 1d4b s VAL 115 Ca 0.51 0.07 -0.08 0.00 -2.93 0.00 0.00 61.98 59.54 1d4b s VAL 115 Cb -0.10 -2.21 -0.05 0.00 -1.53 0.00 0.00 36.38 32.49 1d4b s VAL 115 CO 0.38 -0.09 0.12 -0.76 -3.33 0.00 0.00 175.10 171.41 1d4b s LEU 116 N -6.75 4.16 -0.16 2.54 1.43 -1.26 -5.07 118.68 113.58 1d4b s LEU 116 Ca 0.67 0.26 -0.25 0.00 -1.03 0.00 0.00 54.13 53.78 1d4b s LEU 116 Cb -0.22 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.93 1d4b s LEU 116 CO 0.60 0.25 0.80 -1.00 0.23 0.00 0.00 176.35 177.23 1d4b s HIS 117 N -0.06 3.43 -0.08 0.29 3.76 -1.26 -5.05 115.29 116.33 1d4b s HIS 117 Ca 0.09 1.22 0.01 0.00 -0.15 0.00 0.00 55.06 56.23 1d4b s HIS 117 Cb -0.12 -2.97 -0.03 0.00 1.11 0.00 0.00 32.58 30.58 1d4b s HIS 117 CO 0.00 -0.20 -0.09 -1.01 -0.85 0.00 0.00 174.74 172.59 1d4b s HIS 118 N 1.97 2.87 0.51 1.40 3.76 -1.26 -5.12 115.29 119.42 1d4b s HIS 118 Ca 0.37 -0.14 0.04 0.00 -0.15 0.00 0.00 55.06 55.18 1d4b s HIS 118 Cb -0.17 -1.73 0.03 0.00 1.11 0.00 0.00 32.58 31.82 1d4b s HIS 118 CO 0.13 0.19 0.71 -1.01 -0.85 0.00 0.00 174.74 173.91 1d4b s HIS 119 N -0.52 2.80 -0.03 1.40 3.76 -1.26 -5.11 115.29 116.32 1d4b s HIS 119 Ca 0.07 -0.16 0.04 0.00 -0.15 0.00 0.00 55.06 54.86 1d4b s HIS 119 Cb -0.12 -2.62 -0.00 0.00 1.11 0.00 0.00 32.58 30.95 1d4b s HIS 119 CO 0.02 -0.73 -0.13 -1.58 -0.85 0.00 0.00 174.74 171.46 1d4b s HIS 120 N -2.62 1.31 -0.00 1.40 2.46 -1.26 -5.07 115.29 111.50 1d4b s HIS 120 Ca 0.57 -0.34 -0.09 0.00 0.47 0.00 0.00 55.06 55.67 1d4b s HIS 120 Cb -0.10 -0.89 -0.05 0.00 -0.13 0.00 0.00 32.58 31.41 1d4b s HIS 120 CO 0.37 -0.11 0.70 0.45 -2.47 0.00 0.00 174.74 173.67 1d4b h HIS 121 N 6.24 -0.30 0.00 3.88 3.86 -2.09 -3.58 115.15 123.15 1d4b h HIS 121 Ca -0.33 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 1d4b h HIS 121 Cb 1.17 0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.74 1d4b h HIS 121 CO 0.43 -0.19 0.00 0.72 0.86 0.00 0.00 177.93 179.75