#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 -4.44 2.12 2.13 -1.26 -5.11 120.64 114.08 1d4b n GLU 2 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 1d4b n GLU 2 Cb 0.00 -0.27 -0.10 0.00 0.27 0.00 0.00 31.44 31.34 1d4b n GLU 2 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1d4b s TYR 3 N -1.92 1.99 0.25 4.31 2.02 -1.26 -5.04 117.35 117.70 1d4b s TYR 3 Ca 0.00 -0.66 -0.02 0.00 -0.37 0.00 0.00 57.07 56.02 1d4b s TYR 3 Cb 0.00 -1.11 0.30 0.00 -0.40 0.00 0.00 41.96 40.74 1d4b s TYR 3 CO 0.00 0.33 1.71 1.25 -1.57 0.00 0.00 175.55 177.27 1d4b h LEU 4 N 2.27 0.72 -7.35 -1.29 5.85 -2.04 -3.43 115.31 110.03 1d4b h LEU 4 Ca -0.40 -0.21 -0.19 0.00 0.84 0.00 0.00 57.88 57.92 1d4b h LEU 4 Cb 1.24 -0.19 -0.29 0.00 0.37 0.00 0.00 40.66 41.78 1d4b h LEU 4 CO 0.67 0.86 -0.47 -0.55 -0.34 0.00 0.00 178.44 178.61 1d4b s SER 5 N -6.71 -0.28 0.00 1.25 0.15 -1.26 -5.02 113.70 101.82 1d4b s SER 5 Ca -0.09 0.55 0.15 0.00 0.70 0.00 0.00 55.95 57.26 1d4b s SER 5 Cb 0.14 0.44 0.09 0.00 -1.71 0.00 0.00 66.02 64.98 1d4b s SER 5 CO 0.82 -0.16 0.93 0.00 1.20 0.00 0.00 173.24 176.03 1d4b n ALA 6 N 4.12 2.60 -3.00 5.45 0.00 -1.26 -5.00 120.51 123.41 1d4b n ALA 6 Ca -0.24 -0.59 -0.11 0.00 0.00 0.00 0.00 53.44 52.49 1d4b n ALA 6 Cb 0.54 -0.50 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 1d4b n ALA 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1d4b s LEU 7 N -1.37 0.60 -0.37 0.00 1.02 -1.26 -5.09 118.68 112.21 1d4b s LEU 7 Ca 0.16 -0.23 0.05 0.00 0.02 0.00 0.00 54.13 54.13 1d4b s LEU 7 Cb 0.12 1.63 0.28 0.00 0.02 0.00 0.00 46.19 48.24 1d4b s LEU 7 CO 0.22 -0.74 1.24 -0.46 0.02 0.00 0.00 176.35 176.63 1d4b n ASN 8 N 0.17 -1.64 -3.44 2.29 0.23 -1.26 -5.04 115.26 106.57 1d4b n ASN 8 Ca -0.17 -2.42 -0.35 0.00 -0.53 0.00 0.00 54.58 51.11 1d4b n ASN 8 Cb 0.62 1.30 -0.03 0.00 -2.08 0.00 0.00 39.78 39.58 1d4b n ASN 8 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1d4b n PRO 9 N -0.01 2.13 -2.80 -0.53 -0.04 -1.26 -4.52 135.00 127.97 1d4b n PRO 9 Ca -0.07 -1.84 -0.06 0.00 -0.04 0.00 0.00 63.50 61.49 1d4b n PRO 9 Cb 0.74 -2.78 0.01 0.00 -0.04 0.00 0.00 33.50 31.42 1d4b n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1d4b n SER 10 N 5.67 -3.20 0.00 3.54 3.41 -1.26 -4.99 113.62 116.78 1d4b n SER 10 Ca 0.51 -2.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.18 1d4b n SER 10 Cb 0.28 1.62 0.00 0.00 -0.26 0.00 0.00 64.21 65.85 1d4b n SER 10 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1d4b n ASP 11 N 2.75 2.14 -4.53 4.04 5.75 -1.26 -4.95 116.55 120.49 1d4b n ASP 11 Ca 0.18 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.54 1d4b n ASP 11 Cb 0.56 0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.64 1d4b n ASP 11 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 1d4b s LEU 12 N -4.01 3.88 -0.22 -2.12 0.05 -1.26 -4.74 118.68 110.27 1d4b s LEU 12 Ca 0.00 -1.57 -0.13 0.00 0.05 0.00 0.00 54.13 52.48 1d4b s LEU 12 Cb 0.00 -2.53 -0.09 0.00 -2.05 0.00 0.00 46.19 41.52 1d4b s LEU 12 CO 0.00 -1.41 -0.32 -0.11 -0.55 0.00 0.00 176.35 173.97 1d4b n LEU 13 N 8.31 1.76 -4.56 1.48 0.00 -1.26 -4.84 117.00 117.88 1d4b n LEU 13 Ca 0.30 0.30 -0.40 0.00 0.00 0.00 0.00 56.01 56.21 1d4b n LEU 13 Cb 0.50 -0.72 -0.03 0.00 0.00 0.00 0.00 43.42 43.18 1d4b n LEU 13 CO 0.62 0.31 1.54 -0.60 0.00 0.00 0.00 177.39 179.26 1d4b s ARG 14 N -2.54 2.84 -0.39 1.96 3.52 -1.26 -4.79 118.95 118.29 1d4b s ARG 14 Ca -0.32 0.70 0.11 0.00 -0.13 0.00 0.00 55.73 56.08 1d4b s ARG 14 Cb 0.11 -4.32 0.37 0.00 -1.56 0.00 0.00 34.95 29.55 1d4b s ARG 14 CO 0.42 -2.47 0.98 0.43 -0.81 0.00 0.00 175.30 173.85 1d4b n SER 15 N 11.85 -0.42 -4.36 -2.12 7.64 -1.26 -5.09 113.62 119.85 1d4b n SER 15 Ca 0.19 -3.09 -0.36 0.00 1.01 0.00 0.00 58.87 56.63 1d4b n SER 15 Cb 0.51 0.41 -0.13 0.00 -1.01 0.00 0.00 64.21 63.99 1d4b n SER 15 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1d4b s VAL 16 N -1.35 3.77 0.26 0.44 1.01 -1.26 -5.10 120.40 118.16 1d4b s VAL 16 Ca 0.30 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.96 1d4b s VAL 16 Cb 0.36 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1d4b s VAL 16 CO -0.05 0.35 0.02 -0.94 0.00 0.00 0.00 175.10 174.48 1d4b s SER 17 N 1.53 4.67 0.12 3.32 1.04 -1.26 -5.14 113.70 117.98 1d4b s SER 17 Ca 0.06 -0.59 -0.15 0.00 0.48 0.00 0.00 55.95 55.75 1d4b s SER 17 Cb -0.15 -0.92 0.03 0.00 0.10 0.00 0.00 66.02 65.08 1d4b s SER 17 CO -0.00 0.00 0.37 0.54 0.98 0.00 0.00 173.24 175.13 1d4b s ASN 18 N -3.66 -0.18 0.00 7.02 4.22 -1.26 -5.12 114.94 115.96 1d4b s ASN 18 Ca 0.31 -0.37 0.00 0.00 -2.14 0.00 0.00 52.86 50.67 1d4b s ASN 18 Cb -0.07 0.46 0.00 0.00 1.28 0.00 0.00 41.25 42.92 1d4b s ASN 18 CO 0.20 -0.84 0.00 0.00 -2.04 0.00 0.00 177.10 174.43 1d4b n ILE 19 N -0.20 0.00 -4.13 0.54 0.13 -1.26 -5.18 119.36 109.27 1d4b n ILE 19 Ca -0.16 0.00 -0.10 0.00 -1.10 0.00 0.00 62.75 61.39 1d4b n ILE 19 Cb 0.64 0.00 -0.10 0.00 -0.84 0.00 0.00 39.64 39.33 1d4b n ILE 19 CO 0.00 0.00 0.00 -0.44 2.80 0.00 0.00 176.55 178.91 1d4b s SER 20 N 0.00 0.91 -0.28 9.51 0.01 -1.26 -5.16 113.70 117.43 1d4b s SER 20 Ca 0.00 -0.90 -0.23 0.00 1.31 0.00 0.00 55.95 56.12 1d4b s SER 20 Cb 0.00 0.11 0.10 0.00 0.21 0.00 0.00 66.02 66.43 1d4b s SER 20 CO 0.00 -0.44 0.85 -0.94 0.41 0.00 0.00 173.24 173.12 1d4b s SER 21 N -2.69 -0.64 -0.65 2.44 1.04 -1.26 -5.05 113.70 106.89 1d4b s SER 21 Ca 0.06 1.19 0.00 0.00 0.48 0.00 0.00 55.95 57.68 1d4b s SER 21 Cb 0.03 1.22 0.41 0.00 0.10 0.00 0.00 66.02 67.78 1d4b s SER 21 CO -0.05 -0.20 1.80 -0.62 0.98 0.00 0.00 173.24 175.14 1d4b n GLU 22 N 2.75 2.94 -2.94 4.02 1.02 -1.26 -5.01 120.64 122.16 1d4b n GLU 22 Ca -0.14 -3.65 -0.34 0.00 -0.02 0.00 0.00 57.16 53.00 1d4b n GLU 22 Cb 0.56 -2.28 -0.06 0.00 -0.02 0.00 0.00 31.44 29.64 1d4b n GLU 22 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1d4b s PHE 23 N -3.84 3.49 0.00 -0.32 0.40 -1.26 -4.45 117.98 111.99 1d4b s PHE 23 Ca 0.56 1.52 0.00 0.00 -0.60 0.00 0.00 56.93 58.41 1d4b s PHE 23 Cb 0.46 -2.75 0.00 0.00 0.51 0.00 0.00 43.02 41.24 1d4b s PHE 23 CO -0.16 0.11 0.00 0.41 0.70 0.00 0.00 175.22 176.27 1d4b n GLY 24 N -0.00 2.48 3.50 4.36 0.00 -1.26 -5.08 105.19 109.19 1d4b n GLY 24 Ca 0.03 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1d4b n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d4b s ARG 25 N 0.00 3.26 -0.44 1.61 1.81 -1.26 -4.89 118.95 119.04 1d4b s ARG 25 Ca 0.00 -0.42 0.03 0.00 -1.72 0.00 0.00 55.73 53.62 1d4b s ARG 25 Cb 0.00 -4.10 0.19 0.00 -0.45 0.00 0.00 34.95 30.59 1d4b s ARG 25 CO 0.00 -1.59 0.81 0.50 -0.68 0.00 0.00 175.30 174.34 1d4b s ARG 26 N 4.03 0.75 0.98 3.54 3.52 -1.26 -5.16 118.95 125.36 1d4b s ARG 26 Ca 0.28 -0.61 -0.12 0.00 -0.13 0.00 0.00 55.73 55.16 1d4b s ARG 26 Cb -0.14 0.00 0.18 0.00 -1.56 0.00 0.00 34.95 33.43 1d4b s ARG 26 CO 0.17 -0.97 1.08 0.54 -0.81 0.00 0.00 175.30 175.31 1d4b s VAL 27 N 1.23 2.29 -0.02 7.11 0.11 -1.26 -4.99 120.40 124.87 1d4b s VAL 27 Ca 0.24 0.09 -0.11 0.00 -2.93 0.00 0.00 61.98 59.27 1d4b s VAL 27 Cb 0.02 -2.49 -0.06 0.00 -1.53 0.00 0.00 36.38 32.32 1d4b s VAL 27 CO -0.08 -0.12 0.58 -0.25 -3.33 0.00 0.00 175.10 171.90 1d4b h TRP 28 N -1.89 -0.37 0.00 1.54 2.91 -2.03 -3.49 115.95 112.62 1d4b h TRP 28 Ca -0.53 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.48 1d4b h TRP 28 Cb 1.31 0.12 0.00 0.00 -0.51 0.00 0.00 29.16 30.08 1d4b h TRP 28 CO 0.35 -0.23 0.00 -2.37 -1.03 0.00 0.00 178.44 175.16 1d4b n THR 29 N -4.24 0.00 0.00 2.65 5.66 -1.26 -5.12 114.28 111.97 1d4b n THR 29 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1d4b n THR 29 Cb 0.16 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.94 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 -0.45 0.00 -3.61 1.09 7.64 -1.26 -5.16 113.62 111.87 1d4b n SER 30 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1d4b n SER 30 Cb 0.00 0.27 -0.06 0.00 -1.01 0.00 0.00 64.21 63.40 1d4b n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1d4b s ALA 31 N -1.00 -1.93 0.91 -0.43 0.00 -1.26 -5.17 121.76 112.88 1d4b s ALA 31 Ca 0.00 1.74 -0.12 0.00 0.00 0.00 0.00 51.96 53.58 1d4b s ALA 31 Cb 0.00 -1.05 0.14 0.00 0.00 0.00 0.00 23.12 22.20 1d4b s ALA 31 CO 0.00 -0.28 1.12 -1.25 0.00 0.00 0.00 175.76 175.35 1d4b s PRO 32 N -0.33 1.18 0.54 0.00 0.04 -1.26 -5.01 135.00 130.15 1d4b s PRO 32 Ca 0.00 0.43 -0.19 0.00 0.04 0.00 0.00 61.00 61.28 1d4b s PRO 32 Cb -0.03 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.62 1d4b s PRO 32 CO -0.02 -2.20 1.08 -1.25 0.04 0.00 0.00 177.00 174.65 1d4b s PRO 33 N -5.18 3.47 1.05 0.56 0.04 -1.26 -5.04 135.00 128.65 1d4b s PRO 33 Ca 0.63 1.41 -0.15 0.00 0.04 0.00 0.00 61.00 62.93 1d4b s PRO 33 Cb -0.16 -2.04 0.21 0.00 0.04 0.00 0.00 34.50 32.56 1d4b s PRO 33 CO 0.54 -0.71 1.15 -1.25 0.04 0.00 0.00 177.00 176.77 1d4b s PRO 34 N -3.50 0.03 0.28 0.56 0.04 -1.26 -4.90 135.00 126.26 1d4b s PRO 34 Ca 0.68 0.08 -0.29 0.00 0.04 0.00 0.00 61.00 61.52 1d4b s PRO 34 Cb -0.19 -1.73 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 1d4b s PRO 34 CO 0.27 -2.91 1.04 -1.14 0.04 0.00 0.00 177.00 174.31 1d4b s GLN 35 N -5.36 4.64 -0.04 4.56 0.74 -1.26 -4.80 119.66 118.14 1d4b s GLN 35 Ca 0.68 1.66 -0.02 0.00 0.05 0.00 0.00 55.36 57.73 1d4b s GLN 35 Cb -0.12 -3.12 0.02 0.00 1.10 0.00 0.00 33.01 30.89 1d4b s GLN 35 CO 0.55 0.26 0.09 0.50 -0.55 0.00 0.00 175.29 176.15 1d4b s ARG 36 N -1.52 0.08 -0.46 1.67 6.06 -1.25 -4.99 118.95 118.54 1d4b s ARG 36 Ca 0.45 0.20 -0.28 0.00 -2.50 0.00 0.00 55.73 53.60 1d4b s ARG 36 Cb -0.29 -0.06 -0.00 0.00 0.06 0.00 0.00 34.95 34.67 1d4b s ARG 36 CO 0.36 -0.08 1.56 -1.25 -2.50 0.00 0.00 175.30 173.40 1d4b s PRO 37 N 0.50 3.32 -0.38 5.12 0.04 -1.26 -3.02 135.00 139.33 1d4b s PRO 37 Ca -0.04 0.89 -0.13 0.00 0.04 0.00 0.00 61.00 61.76 1d4b s PRO 37 Cb -0.05 -4.14 0.01 0.00 0.04 0.00 0.00 34.50 30.36 1d4b s PRO 37 CO -0.02 -1.88 0.25 -0.06 0.04 0.00 0.00 177.00 175.33 1d4b s PHE 38 N 6.42 3.23 -0.06 0.56 0.08 -0.89 -4.93 117.98 122.39 1d4b s PHE 38 Ca 0.64 -0.56 -0.30 0.00 0.12 0.00 0.00 56.93 56.83 1d4b s PHE 38 Cb -0.15 -2.51 -0.05 0.00 -0.57 0.00 0.00 43.02 39.74 1d4b s PHE 38 CO 0.29 -0.53 1.52 0.50 -0.10 0.00 0.00 175.22 176.90 1d4b s ARG 39 N 1.66 4.21 0.06 0.44 3.52 -1.26 -3.53 118.95 124.06 1d4b s ARG 39 Ca 0.05 2.04 0.05 0.00 -0.13 0.00 0.00 55.73 57.73 1d4b s ARG 39 Cb -0.18 -3.83 -0.04 0.00 -1.56 0.00 0.00 34.95 29.33 1d4b s ARG 39 CO 0.09 -0.76 -0.06 0.08 -0.81 0.00 0.00 175.30 173.84 1d4b s VAL 40 N 3.51 3.63 0.08 7.11 1.01 -0.69 -4.35 120.40 130.70 1d4b s VAL 40 Ca 0.67 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1d4b s VAL 40 Cb -0.31 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1d4b s VAL 40 CO 0.26 0.22 -0.07 0.00 0.00 0.00 0.00 175.10 175.51 1d4b s ASP 42 N -2.55 4.25 0.00 0.00 -1.08 -0.40 -4.32 116.67 112.58 1d4b s ASP 42 Ca 0.04 -0.23 0.00 0.00 -0.52 0.00 0.00 52.55 51.84 1d4b s ASP 42 Cb 0.00 -0.14 0.00 0.00 -1.46 0.00 0.00 42.92 41.33 1d4b s ASP 42 CO -0.03 -1.93 0.14 1.57 0.52 0.00 0.00 175.17 175.43 1d4b n HIS 43 N -2.94 0.00 0.00 -5.34 -0.00 -1.26 -4.44 115.22 101.24 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 -0.32 0.00 -0.29 1.57 3.00 -1.26 -4.95 118.16 115.91 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 -0.68 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 -2.28 0.00 0.10 1.64 0.63 -1.26 -4.97 116.66 110.52 1d4b n ARG 45 Ca 0.00 -0.23 -0.14 0.00 -0.92 0.00 0.00 57.85 56.56 1d4b n ARG 45 Cb 0.00 -0.15 -0.07 0.00 0.45 0.00 0.00 32.46 32.70 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 4.51 0.22 -3.75 5.15 1.35 -1.92 -3.43 112.91 115.04 1d4b h THR 46 Ca 0.00 0.00 -0.32 0.00 -0.55 0.00 0.00 66.41 65.54 1d4b h THR 46 Cb 1.07 0.22 -0.30 0.00 -1.73 0.00 0.00 68.15 67.40 1d4b h THR 46 CO 0.00 0.00 -0.75 -0.63 -0.25 0.00 0.00 175.52 173.89 1d4b s ILE 47 N -5.95 0.31 -0.27 6.82 1.01 -1.26 -5.04 121.20 116.82 1d4b s ILE 47 Ca -0.16 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 1d4b s ILE 47 Cb 0.08 -0.30 0.10 0.00 0.01 0.00 0.00 42.46 42.34 1d4b s ILE 47 CO 0.64 0.12 0.13 -0.60 0.00 0.00 0.00 174.94 175.22 1d4b s ARG 48 N 0.24 0.18 0.04 2.79 3.52 -1.26 -1.27 118.95 123.19 1d4b s ARG 48 Ca -0.02 -0.46 -0.01 0.00 -0.13 0.00 0.00 55.73 55.11 1d4b s ARG 48 Cb -0.06 -1.23 -0.03 0.00 -1.56 0.00 0.00 34.95 32.07 1d4b s ARG 48 CO -0.00 -0.97 -0.03 0.21 -0.81 0.00 0.00 175.30 173.69 1d4b s LYS 49 N 2.11 0.54 -0.06 5.12 2.47 -1.03 -5.02 119.74 123.87 1d4b s LYS 49 Ca 0.08 -1.07 0.04 0.00 -1.56 0.00 0.00 55.97 53.46 1d4b s LYS 49 Cb -0.16 0.19 0.00 0.00 -1.46 0.00 0.00 37.83 36.40 1d4b s LYS 49 CO -0.33 -0.10 -0.17 0.20 0.16 0.00 0.00 175.35 175.11 1d4b s GLY 50 N -2.57 0.98 0.23 5.54 0.00 -1.26 -1.71 107.32 108.53 1d4b s GLY 50 Ca 0.01 -0.69 0.04 0.00 0.00 0.00 0.00 44.72 44.09 1d4b s GLY 50 CO -0.08 -0.25 -0.03 1.08 0.00 0.00 0.00 173.10 173.82 1d4b s LEU 51 N 0.23 2.29 -0.26 0.66 1.43 -1.23 -4.94 118.68 116.86 1d4b s LEU 51 Ca -0.09 -1.19 -0.19 0.00 -1.03 0.00 0.00 54.13 51.64 1d4b s LEU 51 Cb -0.14 -0.36 -0.02 0.00 0.03 0.00 0.00 46.19 45.70 1d4b s LEU 51 CO 0.04 -0.45 0.57 0.42 0.23 0.00 0.00 176.35 177.15 1d4b s THR 52 N -3.32 5.03 -0.00 5.49 -4.23 -1.26 -2.09 115.64 115.26 1d4b s THR 52 Ca 0.27 0.99 -0.00 0.00 -1.18 0.00 0.00 61.69 61.77 1d4b s THR 52 Cb 0.05 -3.88 0.00 0.00 1.34 0.00 0.00 72.50 70.01 1d4b s THR 52 CO 0.08 0.06 0.01 0.00 -0.54 0.00 0.00 174.62 174.23 1d4b s ALA 53 N 2.40 -0.02 -0.29 3.99 0.00 -1.17 -4.93 121.76 121.74 1d4b s ALA 53 Ca 0.23 0.01 -0.04 0.00 0.00 0.00 0.00 51.96 52.17 1d4b s ALA 53 Cb -0.16 -0.01 0.10 0.00 0.00 0.00 0.00 23.12 23.06 1d4b s ALA 53 CO 0.09 -0.01 0.14 0.00 0.00 0.00 0.00 175.76 175.98 1d4b s ALA 54 N -0.02 0.57 0.13 0.00 0.00 -1.26 -3.77 121.76 117.40 1d4b s ALA 54 Ca -0.00 -1.07 -0.20 0.00 0.00 0.00 0.00 51.96 50.69 1d4b s ALA 54 Cb -0.00 -1.42 0.05 0.00 0.00 0.00 0.00 23.12 21.75 1d4b s ALA 54 CO -0.00 -1.66 0.50 0.99 0.00 0.00 0.00 175.76 175.59 1d4b s THR 55 N 2.09 0.04 -0.09 0.00 2.01 -1.26 -4.99 115.64 113.44 1d4b s THR 55 Ca 0.09 -0.29 -0.06 0.00 0.31 0.00 0.00 61.69 61.74 1d4b s THR 55 Cb -0.16 -1.07 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 1d4b s THR 55 CO -0.36 -0.16 -0.12 -1.14 -0.69 0.00 0.00 174.62 172.15 1d4b n ARG 56 N -0.18 0.29 -0.10 4.92 0.63 -1.26 -4.32 116.66 116.64 1d4b n ARG 56 Ca -0.17 0.41 -0.21 0.00 -0.92 0.00 0.00 57.85 56.96 1d4b n ARG 56 Cb 0.64 -1.33 -0.11 0.00 0.45 0.00 0.00 32.46 32.11 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 -3.74 0.56 0.32 -0.14 7.27 -1.26 -4.09 117.38 116.30 1d4b n GLN 57 Ca -0.05 0.57 0.17 0.00 0.07 0.00 0.00 57.00 57.76 1d4b n GLN 57 Cb 0.17 -1.74 0.88 0.00 2.41 0.00 0.00 30.24 31.97 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 -1.00 0.00 -0.83 3.69 4.81 -2.00 -2.42 114.58 116.83 1d4b h GLU 58 Ca -0.33 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.08 1d4b h GLU 58 Cb 1.26 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.53 1d4b h GLU 58 CO -0.20 0.00 0.34 1.25 -0.73 0.00 0.00 179.01 179.67 1d4b h LEU 59 N 0.00 0.28 -0.32 1.64 5.85 -1.75 -0.52 115.31 120.49 1d4b h LEU 59 Ca 0.00 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1d4b h LEU 59 Cb 0.46 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1d4b h LEU 59 CO 0.00 0.04 -0.01 0.25 -0.34 0.00 0.00 178.44 178.38 1d4b h LEU 60 N 0.41 0.56 -2.05 2.25 5.85 -1.70 -2.57 115.31 118.06 1d4b h LEU 60 Ca 0.49 -0.32 0.11 0.00 0.84 0.00 0.00 57.88 59.01 1d4b h LEU 60 Cb 0.85 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1d4b h LEU 60 CO -0.48 0.74 0.33 0.00 -0.34 0.00 0.00 178.44 178.69 1d4b h ALA 61 N 0.84 2.22 -0.57 1.25 0.00 -1.27 0.01 119.26 121.75 1d4b h ALA 61 Ca 0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1d4b h ALA 61 Cb 0.46 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1d4b h ALA 61 CO 0.02 -0.53 0.03 -0.22 0.00 0.00 0.00 179.25 178.54 1d4b h LYS 62 N 0.00 0.96 -0.54 0.00 3.11 -0.95 -2.44 116.57 116.71 1d4b h LYS 62 Ca 0.19 -0.27 0.13 0.00 -2.81 0.00 0.00 60.65 57.89 1d4b h LYS 62 Cb 0.84 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.94 1d4b h LYS 62 CO -0.00 0.93 0.38 0.00 -2.81 0.00 0.00 179.45 177.94 1d4b h ALA 63 N 1.13 2.34 0.03 5.00 0.00 -1.02 -1.22 119.26 125.52 1d4b h ALA 63 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1d4b h ALA 63 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1d4b h ALA 63 CO 0.02 -0.49 -0.01 -0.07 0.00 0.00 0.00 179.25 178.70 1d4b h LEU 64 N 0.12 -0.03 -0.97 0.00 3.38 -1.50 -3.37 115.31 112.94 1d4b h LEU 64 Ca 0.26 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.46 1d4b h LEU 64 Cb 0.85 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.49 1d4b h LEU 64 CO -0.03 0.08 0.53 -0.08 0.09 0.00 0.00 178.44 179.03 1d4b h GLU 65 N -0.24 0.52 -0.35 1.13 4.22 -1.43 0.40 114.58 118.83 1d4b h GLU 65 Ca -0.00 -0.03 0.05 0.00 0.08 0.00 0.00 59.36 59.45 1d4b h GLU 65 Cb 0.03 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.08 1d4b h GLU 65 CO 0.01 0.34 -0.56 0.00 -2.18 0.00 0.00 179.01 176.63 1d4b h THR 66 N 0.54 0.00 0.00 0.32 1.03 -1.38 -3.35 112.91 110.07 1d4b h THR 66 Ca 0.61 0.00 -0.35 0.00 -0.01 0.00 0.00 66.41 66.66 1d4b h THR 66 Cb 1.14 0.00 -0.05 0.00 -1.07 0.00 0.00 68.15 68.17 1d4b h THR 66 CO -0.48 0.00 -2.17 0.18 -0.01 0.00 0.00 175.52 173.04 1d4b n LEU 67 N -5.39 1.87 -3.73 0.00 7.99 -1.00 -5.02 117.00 111.73 1d4b n LEU 67 Ca -0.04 0.32 -0.12 0.00 -0.01 0.00 0.00 56.01 56.16 1d4b n LEU 67 Cb 0.35 -0.77 -0.13 0.00 -0.11 0.00 0.00 43.42 42.77 1d4b n LEU 67 CO 0.02 0.38 -0.09 -0.76 -1.51 0.00 0.00 177.39 175.43 1d4b s LEU 68 N -7.53 0.40 -0.18 2.23 1.43 0.14 -5.11 118.68 110.06 1d4b s LEU 68 Ca -0.35 0.57 -0.07 0.00 -1.03 0.00 0.00 54.13 53.25 1d4b s LEU 68 Cb 0.12 0.83 -0.04 0.00 0.03 0.00 0.00 46.19 47.14 1d4b s LEU 68 CO 0.45 -0.16 0.06 -1.48 0.23 0.00 0.00 176.35 175.45 1d4b s LEU 69 N 1.16 3.81 0.05 1.79 0.05 -1.17 -3.72 118.68 120.66 1d4b s LEU 69 Ca -0.08 0.08 -0.02 0.00 0.05 0.00 0.00 54.13 54.16 1d4b s LEU 69 Cb -0.09 -1.96 -0.04 0.00 -2.05 0.00 0.00 46.19 42.05 1d4b s LEU 69 CO -0.08 0.18 -0.01 0.21 -0.55 0.00 0.00 176.35 176.10 1d4b s ASN 70 N 0.34 0.45 0.24 1.48 3.84 -1.26 -4.98 114.94 115.04 1d4b s ASN 70 Ca 0.03 -0.95 -0.03 0.00 0.21 0.00 0.00 52.86 52.12 1d4b s ASN 70 Cb -0.12 0.21 0.26 0.00 -0.55 0.00 0.00 41.25 41.04 1d4b s ASN 70 CO 0.00 -0.60 1.69 1.23 -2.79 0.00 0.00 177.10 176.63 1d4b h GLY 71 N 3.17 0.83 -6.36 1.21 0.00 -2.05 -3.42 103.07 96.43 1d4b h GLY 71 Ca -0.34 -0.64 -0.41 0.00 0.00 0.00 0.00 47.33 45.95 1d4b h GLY 71 CO 0.64 0.58 -0.77 0.14 0.00 0.00 0.00 176.54 177.14 1d4b s VAL 72 N -4.75 0.47 -0.04 4.60 1.01 -1.26 -5.14 120.40 115.28 1d4b s VAL 72 Ca -0.09 -0.06 -0.07 0.00 0.00 0.00 0.00 61.98 61.76 1d4b s VAL 72 Cb 0.14 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 36.01 1d4b s VAL 72 CO 0.82 0.22 0.17 -0.22 0.00 0.00 0.00 175.10 176.10 1d4b s LEU 73 N 1.09 1.36 -0.17 3.92 1.98 -1.26 -5.06 118.68 120.54 1d4b s LEU 73 Ca -0.08 0.16 -0.14 0.00 -2.89 0.00 0.00 54.13 51.18 1d4b s LEU 73 Cb -0.14 0.68 -0.05 0.00 0.66 0.00 0.00 46.19 47.34 1d4b s LEU 73 CO -0.01 -0.19 0.30 0.42 -1.89 0.00 0.00 176.35 174.98 1d4b s THR 74 N -0.47 5.30 -0.01 3.68 -4.23 -1.23 -5.03 115.64 113.64 1d4b s THR 74 Ca -0.06 0.55 -0.16 0.00 -1.18 0.00 0.00 61.69 60.84 1d4b s THR 74 Cb -0.04 -3.64 -0.06 0.00 1.34 0.00 0.00 72.50 70.11 1d4b s THR 74 CO 0.01 0.37 0.44 -0.76 -0.54 0.00 0.00 174.62 174.13 1d4b s LEU 75 N 0.63 4.45 0.05 4.79 1.43 -0.94 -3.81 118.68 125.27 1d4b s LEU 75 Ca 0.16 0.98 -0.07 0.00 -1.03 0.00 0.00 54.13 54.17 1d4b s LEU 75 Cb -0.13 -2.64 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 1d4b s LEU 75 CO 0.04 0.27 0.14 0.68 0.23 0.00 0.00 176.35 177.71 1d4b s VAL 76 N -0.81 0.14 0.06 -1.59 -7.23 -1.24 0.24 120.40 109.96 1d4b s VAL 76 Ca 0.25 -1.12 0.07 0.00 -1.81 0.00 0.00 61.98 59.36 1d4b s VAL 76 Cb -0.17 -1.08 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 1d4b s VAL 76 CO 0.14 -0.62 -0.19 -1.48 -0.31 0.00 0.00 175.10 172.64 1d4b s LEU 77 N -2.39 2.21 0.08 1.32 2.34 -1.19 -3.96 118.68 117.07 1d4b s LEU 77 Ca -0.01 -0.55 0.23 0.00 0.06 0.00 0.00 54.13 53.86 1d4b s LEU 77 Cb 0.01 -0.82 0.14 0.00 -0.56 0.00 0.00 46.19 44.96 1d4b s LEU 77 CO -0.07 0.09 1.12 1.21 -1.06 0.00 0.00 176.35 177.64 1d4b n GLU 78 N 1.64 0.31 0.32 1.48 2.13 -1.26 -2.65 120.64 122.61 1d4b n GLU 78 Ca -0.18 0.03 -0.16 0.00 0.66 0.00 0.00 57.16 57.50 1d4b n GLU 78 Cb 0.54 -1.63 -0.09 0.00 0.27 0.00 0.00 31.44 30.53 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 -0.94 0.00 5.31 4.81 -1.99 -3.32 114.58 118.45 1d4b h GLU 79 Ca 0.00 0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 1d4b h GLU 79 Cb 0.75 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 1d4b h GLU 79 CO 0.00 -0.62 -2.06 -3.47 -0.73 0.00 0.00 179.01 172.12 1d4b n ASP 80 N -5.11 0.27 -1.34 1.04 2.03 -1.26 -5.03 116.55 107.14 1d4b n ASP 80 Ca -0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.19 1d4b n ASP 80 Cb 0.42 1.64 0.00 0.00 -0.72 0.00 0.00 41.12 42.46 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 1.48 0.53 3.01 0.27 0.00 -1.08 -5.10 105.19 104.30 1d4b n GLY 81 Ca -0.12 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.90 0.14 0.25 2.61 2.01 -1.23 -5.01 115.64 111.50 1d4b s THR 82 Ca 0.00 -1.13 -0.20 0.00 0.31 0.00 0.00 61.69 60.68 1d4b s THR 82 Cb 0.00 -0.57 -0.09 0.00 0.01 0.00 0.00 72.50 71.85 1d4b s THR 82 CO 0.00 -0.62 0.75 0.00 -0.69 0.00 0.00 174.62 174.06 1d4b s ALA 83 N -2.06 3.38 0.03 7.40 0.00 -1.26 -3.20 121.76 126.05 1d4b s ALA 83 Ca -0.10 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.07 1d4b s ALA 83 Cb -0.06 -2.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 1d4b s ALA 83 CO -0.03 0.31 -0.07 0.08 0.00 0.00 0.00 175.76 176.05 1d4b s VAL 84 N -1.59 0.50 0.00 0.00 1.01 0.14 -4.98 120.40 115.47 1d4b s VAL 84 Ca 0.45 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1d4b s VAL 84 Cb -0.16 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1d4b s VAL 84 CO 0.21 -0.27 0.70 -0.90 0.00 0.00 0.00 175.10 174.85 1d4b n ASP 85 N 1.83 0.00 -3.56 3.32 5.68 -1.26 -2.22 116.55 120.33 1d4b n ASP 85 Ca -0.20 -1.50 -0.14 0.00 -0.50 0.00 0.00 54.79 52.45 1d4b n ASP 85 Cb 0.55 -0.10 -0.06 0.00 -1.14 0.00 0.00 41.12 40.37 1d4b n ASP 85 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1d4b s SER 86 N -0.50 0.77 0.09 -1.12 1.04 -1.26 -5.01 113.70 107.72 1d4b s SER 86 Ca 0.00 -1.44 0.10 0.00 0.48 0.00 0.00 55.95 55.09 1d4b s SER 86 Cb 0.00 0.58 0.46 0.00 0.10 0.00 0.00 66.02 67.16 1d4b s SER 86 CO 0.00 -1.14 1.30 1.21 0.98 0.00 0.00 173.24 175.59 1d4b n GLU 87 N -0.49 0.05 0.13 4.02 2.13 -1.26 -2.44 120.64 122.78 1d4b n GLU 87 Ca 0.02 0.48 0.08 0.00 0.66 0.00 0.00 57.16 58.40 1d4b n GLU 87 Cb 0.63 -1.63 0.43 0.00 0.27 0.00 0.00 31.44 31.13 1d4b n GLU 87 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1d4b n ASP 88 N -1.73 0.41 -0.21 4.31 2.03 -1.26 -3.28 116.55 116.81 1d4b n ASP 88 Ca 0.01 0.67 -0.11 0.00 0.52 0.00 0.00 54.79 55.88 1d4b n ASP 88 Cb 0.06 -0.71 -0.08 0.00 -0.72 0.00 0.00 41.12 39.67 1d4b n ASP 88 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1d4b h PHE 89 N 0.00 -1.51 -0.69 -0.67 3.57 -1.91 0.62 116.94 116.35 1d4b h PHE 89 Ca 0.00 0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 1d4b h PHE 89 Cb 0.10 0.73 -0.03 0.00 2.79 0.00 0.00 35.95 39.54 1d4b h PHE 89 CO 0.00 -0.37 0.23 0.74 -2.23 0.00 0.00 178.31 176.68 1d4b h PHE 90 N -0.20 1.10 0.00 0.41 0.04 -1.87 -1.99 116.94 114.43 1d4b h PHE 90 Ca 0.09 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1d4b h PHE 90 Cb 0.44 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1d4b h PHE 90 CO -0.83 0.87 0.00 0.37 -0.60 0.00 0.00 178.31 178.12 1d4b h GLN 91 N 1.00 0.00 0.00 1.51 5.75 -1.31 -2.17 115.11 119.89 1d4b h GLN 91 Ca 0.22 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.70 1d4b h GLN 91 Cb 0.28 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.82 1d4b h GLN 91 CO -0.01 0.00 -0.99 1.25 -2.65 0.00 0.00 178.83 176.43 1d4b h LEU 92 N 0.00 0.00 -9.08 -2.39 5.85 0.93 -3.47 115.31 107.16 1d4b h LEU 92 Ca 0.00 0.00 -0.65 0.00 0.84 0.00 0.00 57.88 58.07 1d4b h LEU 92 Cb 0.25 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 41.10 1d4b h LEU 92 CO 0.00 0.07 -0.81 -0.76 -0.34 0.00 0.00 178.44 176.61 1d4b s LEU 93 N -5.47 2.50 1.26 2.25 1.02 -0.82 -5.09 118.68 114.33 1d4b s LEU 93 Ca -0.00 -0.85 -0.18 0.00 0.02 0.00 0.00 54.13 53.11 1d4b s LEU 93 Cb 0.09 -1.21 0.31 0.00 0.02 0.00 0.00 46.19 45.40 1d4b s LEU 93 CO 0.79 0.11 1.02 -1.61 0.02 0.00 0.00 176.35 176.68 1d4b s GLU 94 N -2.76 -1.67 0.02 1.70 0.41 -1.26 -4.83 118.70 110.31 1d4b s GLU 94 Ca 0.22 0.27 -0.30 0.00 -0.41 0.00 0.00 54.97 54.75 1d4b s GLU 94 Cb -0.08 -1.51 -0.08 0.00 -1.78 0.00 0.00 34.13 30.68 1d4b s GLU 94 CO 0.11 -4.08 1.79 0.34 -0.49 0.00 0.00 175.26 172.92 1d4b s ASP 95 N -3.24 6.56 0.15 -0.19 2.15 -1.26 -4.92 116.67 115.91 1d4b s ASP 95 Ca 0.69 2.49 -0.24 0.00 0.43 0.00 0.00 52.55 55.91 1d4b s ASP 95 Cb -0.16 -2.54 0.08 0.00 -0.30 0.00 0.00 42.92 40.00 1d4b s ASP 95 CO 0.59 -0.97 1.05 1.51 -0.17 0.00 0.00 175.17 177.18 1d4b s ASP 96 N 3.54 -0.06 -0.32 -0.34 1.47 -1.26 -5.12 116.67 114.57 1d4b s ASP 96 Ca 0.80 -0.52 0.03 0.00 1.18 0.00 0.00 52.55 54.04 1d4b s ASP 96 Cb -0.39 0.45 0.10 0.00 -0.34 0.00 0.00 42.92 42.73 1d4b s ASP 96 CO 0.35 -0.87 0.04 -0.89 0.68 0.00 0.00 175.17 174.48 1d4b s THR 97 N -2.54 1.98 -0.04 2.11 2.01 -1.26 -5.07 115.64 112.83 1d4b s THR 97 Ca 0.18 -2.07 -0.02 0.00 0.31 0.00 0.00 61.69 60.09 1d4b s THR 97 Cb -0.01 -2.43 0.02 0.00 0.01 0.00 0.00 72.50 70.09 1d4b s THR 97 CO 0.03 -0.55 0.10 0.00 -0.69 0.00 0.00 174.62 173.52 1d4b s LEU 99 N 0.70 0.95 -0.02 0.00 2.96 -1.26 -4.98 118.68 117.03 1d4b s LEU 99 Ca -0.05 0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 1d4b s LEU 99 Cb -0.07 0.09 0.01 0.00 0.50 0.00 0.00 46.19 46.72 1d4b s LEU 99 CO -0.03 -0.14 -0.03 -0.32 -1.32 0.00 0.00 176.35 174.52 1d4b s MET 100 N 1.10 0.44 -0.15 1.98 1.75 -1.25 -4.27 119.30 118.89 1d4b s MET 100 Ca -0.09 -0.06 -0.03 0.00 -1.25 0.00 0.00 55.69 54.26 1d4b s MET 100 Cb -0.12 -0.50 0.05 0.00 2.84 0.00 0.00 34.83 37.10 1d4b s MET 100 CO -0.04 -0.02 0.03 0.08 -0.65 0.00 0.00 175.02 174.42 1d4b s VAL 101 N 0.52 0.40 0.30 10.11 1.01 -1.26 -3.71 120.40 127.77 1d4b s VAL 101 Ca -0.06 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 1d4b s VAL 101 Cb -0.09 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1d4b s VAL 101 CO -0.01 -0.08 0.42 -1.48 0.00 0.00 0.00 175.10 173.96 1d4b s LEU 102 N 1.93 0.87 0.47 3.92 2.34 -1.25 -4.95 118.68 122.01 1d4b s LEU 102 Ca 0.01 -1.33 -0.11 0.00 0.06 0.00 0.00 54.13 52.76 1d4b s LEU 102 Cb -0.16 1.36 -0.06 0.00 -0.56 0.00 0.00 46.19 46.78 1d4b s LEU 102 CO -0.07 -1.18 0.86 -1.58 -1.06 0.00 0.00 176.35 173.31 1d4b s GLN 103 N -3.48 3.74 1.27 1.48 0.74 -1.26 -3.56 119.66 118.60 1d4b s GLN 103 Ca 0.30 0.57 -0.18 0.00 0.05 0.00 0.00 55.36 56.10 1d4b s GLN 103 Cb 0.01 -2.29 0.32 0.00 1.10 0.00 0.00 33.01 32.15 1d4b s GLN 103 CO 0.16 -0.20 1.00 -1.54 -0.55 0.00 0.00 175.29 174.16 1d4b s SER 104 N -3.47 0.16 -0.22 6.67 1.04 -1.26 -4.14 113.70 112.48 1d4b s SER 104 Ca 0.53 1.11 -0.00 0.00 0.48 0.00 0.00 55.95 58.07 1d4b s SER 104 Cb -0.10 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.34 1d4b s SER 104 CO 0.37 -4.65 0.02 0.61 0.98 0.00 0.00 173.24 170.57 1d4b n GLY 105 N 0.75 0.33 3.19 7.32 0.00 -1.26 -5.04 105.19 110.48 1d4b n GLY 105 Ca 0.08 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.28 1.01 0.32 1.61 0.74 -1.26 -5.16 119.66 112.64 1d4b s GLN 106 Ca 0.01 -1.48 0.04 0.00 0.05 0.00 0.00 55.36 53.97 1d4b s GLN 106 Cb -0.00 0.02 -0.04 0.00 1.10 0.00 0.00 33.01 34.09 1d4b s GLN 106 CO 0.01 -0.21 0.16 -1.12 -0.55 0.00 0.00 175.29 173.58 1d4b s SER 107 N -3.10 1.77 0.63 6.67 0.01 -1.26 -5.15 113.70 113.27 1d4b s SER 107 Ca 0.24 -1.58 -0.11 0.00 1.31 0.00 0.00 55.95 55.81 1d4b s SER 107 Cb 0.07 0.39 -0.03 0.00 0.21 0.00 0.00 66.02 66.66 1d4b s SER 107 CO 0.03 -0.89 1.04 0.26 0.41 0.00 0.00 173.24 174.09 1d4b s TRP 108 N -3.52 3.58 -0.39 2.43 0.51 -1.26 -4.99 118.94 115.29 1d4b s TRP 108 Ca 0.34 1.26 -0.28 0.00 -2.12 0.00 0.00 56.10 55.30 1d4b s TRP 108 Cb 0.05 -2.77 0.02 0.00 -0.81 0.00 0.00 33.47 29.95 1d4b s TRP 108 CO 0.18 -0.77 1.03 0.45 -0.51 0.00 0.00 176.95 177.32 1d4b s SER 109 N -4.20 6.74 0.97 2.95 0.15 -1.26 -5.02 113.70 114.03 1d4b s SER 109 Ca 0.56 0.67 -0.13 0.00 0.70 0.00 0.00 55.95 57.75 1d4b s SER 109 Cb -0.11 -2.51 0.17 0.00 -1.71 0.00 0.00 66.02 61.86 1d4b s SER 109 CO 0.54 -0.98 1.12 -2.16 1.20 0.00 0.00 173.24 172.96 1d4b s PRO 110 N 3.81 0.62 -0.66 5.44 0.04 -1.26 -5.00 135.00 138.00 1d4b s PRO 110 Ca 0.43 0.32 -0.12 0.00 0.04 0.00 0.00 61.00 61.67 1d4b s PRO 110 Cb -0.11 -1.78 0.17 0.00 0.04 0.00 0.00 34.50 32.83 1d4b s PRO 110 CO 0.22 -2.56 0.57 0.99 0.04 0.00 0.00 177.00 176.26 1d4b s THR 111 N -3.15 4.94 0.99 1.26 2.01 -1.26 -5.06 115.64 115.35 1d4b s THR 111 Ca 0.65 -2.19 -0.12 0.00 0.31 0.00 0.00 61.69 60.34 1d4b s THR 111 Cb -0.16 -4.13 0.12 0.00 0.01 0.00 0.00 72.50 68.34 1d4b s THR 111 CO 0.55 -0.92 0.70 -2.11 -0.69 0.00 0.00 174.62 172.16 1d4b n ARG 112 N 4.37 -0.76 -1.58 4.92 1.85 -1.26 -4.96 116.66 119.24 1d4b n ARG 112 Ca 0.02 -0.17 -0.04 0.00 -1.00 0.00 0.00 57.85 56.66 1d4b n ARG 112 Cb 0.43 -2.07 0.01 0.00 -1.05 0.00 0.00 32.46 29.78 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 -2.86 -1.00 0.00 2.89 2.88 -1.26 -5.03 113.62 109.24 1d4b n SER 113 Ca 0.08 -1.81 0.00 0.00 -1.33 0.00 0.00 58.87 55.80 1d4b n SER 113 Cb 0.54 0.39 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 1d4b n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1d4b n GLY 114 N -0.55 -0.61 3.55 0.46 0.00 -1.26 -5.13 105.19 101.65 1d4b n GLY 114 Ca -0.20 0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1d4b n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d4b s VAL 115 N 0.00 2.78 0.47 1.61 0.11 -1.26 -5.15 120.40 118.96 1d4b s VAL 115 Ca 0.00 -2.17 0.04 0.00 -2.93 0.00 0.00 61.98 56.92 1d4b s VAL 115 Cb 0.00 -2.57 0.04 0.00 -1.53 0.00 0.00 36.38 32.32 1d4b s VAL 115 CO 0.00 -0.35 0.35 0.18 -3.33 0.00 0.00 175.10 171.95 1d4b n LEU 116 N -0.77 0.00 -3.79 2.54 7.99 -1.26 -4.93 117.00 116.77 1d4b n LEU 116 Ca -0.05 -2.42 -0.04 0.00 -0.01 0.00 0.00 56.01 53.48 1d4b n LEU 116 Cb 0.60 -0.03 -0.01 0.00 -0.11 0.00 0.00 43.42 43.87 1d4b n LEU 116 CO 0.40 -0.54 0.68 -1.38 -1.51 0.00 0.00 177.39 175.04 1d4b s HIS 117 N -2.31 -0.09 -0.29 -1.77 -3.43 -1.26 -5.17 115.29 100.97 1d4b s HIS 117 Ca 0.26 -0.28 -0.12 0.00 -0.80 0.00 0.00 55.06 54.12 1d4b s HIS 117 Cb -0.02 0.67 0.12 0.00 -1.43 0.00 0.00 32.58 31.92 1d4b s HIS 117 CO 0.17 -0.96 0.72 -1.01 -2.00 0.00 0.00 174.74 171.66 1d4b s HIS 118 N -3.16 -1.16 -0.10 0.38 3.76 -1.26 -5.15 115.29 108.60 1d4b s HIS 118 Ca 0.14 2.09 -0.04 0.00 -0.15 0.00 0.00 55.06 57.10 1d4b s HIS 118 Cb -0.03 0.69 0.05 0.00 1.11 0.00 0.00 32.58 34.41 1d4b s HIS 118 CO 0.04 -0.57 0.20 -1.58 -0.85 0.00 0.00 174.74 171.97 1d4b s HIS 119 N 2.43 -0.26 0.05 1.40 2.46 -1.26 -5.04 115.29 115.06 1d4b s HIS 119 Ca -0.07 0.71 0.00 0.00 0.47 0.00 0.00 55.06 56.17 1d4b s HIS 119 Cb -0.09 -0.19 0.00 0.00 -0.13 0.00 0.00 32.58 32.17 1d4b s HIS 119 CO -0.19 -0.32 0.00 0.72 -2.47 0.00 0.00 174.74 172.49 1d4b n HIS 120 N 5.33 -0.37 -1.67 3.88 8.25 -1.26 -5.11 115.22 124.27 1d4b n HIS 120 Ca -0.05 0.07 -0.26 0.00 -0.26 0.00 0.00 57.72 57.22 1d4b n HIS 120 Cb 0.50 0.35 0.19 0.00 1.12 0.00 0.00 29.99 32.14 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 -2.71 -3.96 -1.85 4.41 1.44 -1.26 -5.21 115.22 106.08 1d4b n HIS 121 Ca 0.00 -1.00 0.00 0.00 -2.01 0.00 0.00 57.72 54.71 1d4b n HIS 121 Cb 0.00 -0.91 0.00 0.00 0.12 0.00 0.00 29.99 29.20 1d4b n HIS 121 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14