#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gk6 n ASN -5 N 0.00 -2.20 -4.35 1.62 5.15 -1.26 -4.99 115.26 109.23 3gk6 n ASN -5 Ca 0.00 -0.82 -0.24 0.00 -0.60 0.00 0.00 54.58 52.92 3gk6 n ASN -5 Cb 0.00 -3.93 -0.12 0.00 -0.53 0.00 0.00 39.78 35.20 3gk6 n ASN -5 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3gk6 s LEU -4 N -6.88 2.41 -0.45 1.20 1.43 -1.26 -4.66 118.68 110.48 3gk6 s LEU -4 Ca 0.20 -0.83 -0.16 0.00 -1.03 0.00 0.00 54.13 52.31 3gk6 s LEU -4 Cb -0.10 -0.95 0.05 0.00 0.03 0.00 0.00 46.19 45.21 3gk6 s LEU -4 CO 0.82 0.03 0.38 -0.47 0.23 0.00 0.00 176.35 177.35 3gk6 s TYR -3 N -1.77 3.22 -0.49 0.29 5.04 0.05 -4.96 117.35 118.73 3gk6 s TYR -3 Ca 0.16 -0.71 -0.21 0.00 -2.44 0.00 0.00 57.07 53.87 3gk6 s TYR -3 Cb -0.07 -2.95 0.04 0.00 0.35 0.00 0.00 41.96 39.33 3gk6 s TYR -3 CO 0.07 -0.73 0.72 0.12 -1.34 0.00 0.00 175.55 174.39 3gk6 s PHE -2 N 1.79 2.99 -0.00 4.97 5.36 -1.26 -0.91 117.98 130.91 3gk6 s PHE -2 Ca 0.06 -0.19 0.22 0.00 -0.96 0.00 0.00 56.93 56.06 3gk6 s PHE -2 Cb -0.21 -3.61 0.69 0.00 -0.34 0.00 0.00 43.02 39.55 3gk6 s PHE -2 CO 0.09 -1.05 1.72 0.37 -1.46 0.00 0.00 175.22 174.90 3gk6 h GLN -1 N 9.03 0.00 0.00 10.12 4.15 -1.33 -3.49 115.11 133.58 3gk6 h GLN -1 Ca -0.26 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.16 3gk6 h GLN -1 Cb 1.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.78 3gk6 h GLN -1 CO 0.97 0.25 0.00 0.41 -1.93 0.00 0.00 178.83 178.53 3gk6 n GLY 0 N 0.50 0.22 0.00 2.39 0.00 -1.22 -4.95 105.19 102.13 3gk6 n GLY 0 Ca 0.01 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3gk6 n GLY 0 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3gk6 n ASN 2 N 0.00 0.00 -4.75 1.61 4.05 0.04 -1.98 115.26 114.23 3gk6 n ASN 2 Ca 0.00 0.00 -0.40 0.00 0.45 0.00 0.00 54.58 54.63 3gk6 n ASN 2 Cb 0.00 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 40.96 3gk6 n ASN 2 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 3gk6 s ILE 3 N -0.42 4.76 0.22 -1.44 2.07 -1.26 -0.72 121.20 124.39 3gk6 s ILE 3 Ca 0.00 1.55 -0.21 0.00 -1.41 0.00 0.00 60.65 60.58 3gk6 s ILE 3 Cb 0.00 -4.08 0.04 0.00 0.13 0.00 0.00 42.46 38.55 3gk6 s ILE 3 CO 0.00 0.38 0.64 -0.94 -1.91 0.00 0.00 174.94 173.11 3gk6 s SER 4 N -0.12 -0.39 -0.05 4.50 1.04 -0.03 -4.99 113.70 113.66 3gk6 s SER 4 Ca 0.37 -0.34 -0.24 0.00 0.48 0.00 0.00 55.95 56.22 3gk6 s SER 4 Cb -0.20 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 3gk6 s SER 4 CO 0.22 -1.15 0.73 -1.61 0.98 0.00 0.00 173.24 172.41 3gk6 s GLU 5 N -3.84 4.45 -0.05 4.02 8.01 -1.26 -0.77 118.70 129.26 3gk6 s GLU 5 Ca 0.07 0.94 0.06 0.00 0.01 0.00 0.00 54.97 56.05 3gk6 s GLU 5 Cb -0.03 -3.44 -0.01 0.00 -4.31 0.00 0.00 34.13 26.34 3gk6 s GLU 5 CO -0.03 0.08 -0.24 0.42 0.01 0.00 0.00 175.26 175.50 3gk6 s ILE 6 N 0.74 2.16 0.23 -1.63 1.01 -0.03 -4.98 121.20 118.70 3gk6 s ILE 6 Ca 0.39 -1.04 -0.30 0.00 0.00 0.00 0.00 60.65 59.70 3gk6 s ILE 6 Cb -0.18 -1.78 -0.09 0.00 0.01 0.00 0.00 42.46 40.42 3gk6 s ILE 6 CO 0.19 0.57 1.09 0.20 0.00 0.00 0.00 174.94 177.00 3gk6 s ASN 7 N -0.28 7.29 0.89 3.58 0.01 -1.26 -1.87 114.94 123.29 3gk6 s ASN 7 Ca 0.00 2.17 -0.11 0.00 -0.71 0.00 0.00 52.86 54.21 3gk6 s ASN 7 Cb -0.13 -2.61 0.12 0.00 0.41 0.00 0.00 41.25 39.04 3gk6 s ASN 7 CO 0.03 -0.16 1.09 -0.83 -1.51 0.00 0.00 177.10 175.71 3gk6 s GLY 8 N -0.52 1.63 0.14 0.66 0.00 -1.26 -4.74 107.32 103.22 3gk6 s GLY 8 Ca 0.47 0.02 -0.24 0.00 0.00 0.00 0.00 44.72 44.97 3gk6 s GLY 8 CO 0.38 0.49 0.61 -0.11 0.00 0.00 0.00 173.10 174.46 3gk6 s PHE 9 N -2.90 -0.54 -0.09 1.90 -0.71 -0.47 -4.85 117.98 110.32 3gk6 s PHE 9 Ca 0.63 0.38 -0.03 0.00 -1.04 0.00 0.00 56.93 56.87 3gk6 s PHE 9 Cb -0.18 0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 42.14 3gk6 s PHE 9 CO 0.57 -0.83 0.03 -1.21 -1.34 0.00 0.00 175.22 172.44 3gk6 s GLU 10 N -3.58 3.08 0.01 1.99 2.02 -1.26 -0.94 118.70 120.02 3gk6 s GLU 10 Ca 0.00 -0.35 -0.02 0.00 0.02 0.00 0.00 54.97 54.62 3gk6 s GLU 10 Cb -0.01 -2.88 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 3gk6 s GLU 10 CO -0.12 0.72 0.01 0.14 0.02 0.00 0.00 175.26 176.04 3gk6 s VAL 11 N -0.92 0.09 -0.01 2.63 -7.23 -0.44 -4.37 120.40 110.14 3gk6 s VAL 11 Ca 0.14 -0.77 0.05 0.00 -1.81 0.00 0.00 61.98 59.59 3gk6 s VAL 11 Cb -0.11 -0.28 -0.01 0.00 0.56 0.00 0.00 36.38 36.54 3gk6 s VAL 11 CO 0.03 -0.42 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.36 3gk6 s THR 12 N -1.29 1.21 -0.39 5.32 2.01 -0.37 -0.48 115.64 121.66 3gk6 s THR 12 Ca -0.14 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.21 3gk6 s THR 12 Cb -0.08 -1.01 0.00 0.00 0.01 0.00 0.00 72.50 71.41 3gk6 s THR 12 CO -0.00 0.34 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 3gk6 n GLY 13 N 2.76 -0.64 3.87 4.40 0.00 -0.87 -1.37 105.19 113.35 3gk6 n GLY 13 Ca -0.15 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 3gk6 n GLY 13 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gk6 s PHE 14 N -3.35 3.60 0.01 1.61 0.08 -0.06 -1.05 117.98 118.83 3gk6 s PHE 14 Ca 0.00 0.56 0.07 0.00 0.12 0.00 0.00 56.93 57.68 3gk6 s PHE 14 Cb 0.00 -1.99 -0.03 0.00 -0.57 0.00 0.00 43.02 40.43 3gk6 s PHE 14 CO 0.00 0.70 -0.19 0.54 -0.10 0.00 0.00 175.22 176.17 3gk6 s VAL 15 N -0.95 2.70 0.05 -0.44 0.11 -1.26 -1.28 120.40 119.32 3gk6 s VAL 15 Ca 0.15 -1.09 0.02 0.00 -2.93 0.00 0.00 61.98 58.13 3gk6 s VAL 15 Cb -0.12 -2.09 -0.03 0.00 -1.53 0.00 0.00 36.38 32.61 3gk6 s VAL 15 CO 0.05 0.43 -0.07 0.54 -3.33 0.00 0.00 175.10 172.71 3gk6 s VAL 16 N -0.83 0.54 -0.15 2.04 0.11 -0.52 -4.99 120.40 116.60 3gk6 s VAL 16 Ca 0.13 -1.25 -0.07 0.00 -2.93 0.00 0.00 61.98 57.87 3gk6 s VAL 16 Cb -0.10 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 3gk6 s VAL 16 CO 0.03 -0.49 0.08 -0.60 -3.33 0.00 0.00 175.10 170.78 3gk6 s ARG 17 N -2.05 3.68 0.14 1.54 3.52 -1.26 -0.75 118.95 123.77 3gk6 s ARG 17 Ca -0.06 -0.29 -0.02 0.00 -0.13 0.00 0.00 55.73 55.23 3gk6 s ARG 17 Cb -0.07 -3.15 0.01 0.00 -1.56 0.00 0.00 34.95 30.18 3gk6 s ARG 17 CO -0.01 0.48 0.22 -2.37 -0.81 0.00 0.00 175.30 172.82 3gk6 n THR 18 N 2.88 0.00 -4.16 4.11 5.66 -0.53 -4.98 114.28 117.26 3gk6 n THR 18 Ca -0.18 -0.65 -0.10 0.00 -3.05 0.00 0.00 64.05 60.07 3gk6 n THR 18 Cb 0.53 0.43 -0.10 0.00 -1.55 0.00 0.00 70.33 69.64 3gk6 n THR 18 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3gk6 s THR 19 N -2.60 0.55 0.24 1.09 -1.32 -1.26 -1.47 115.64 110.87 3gk6 s THR 19 Ca 0.11 -1.91 -0.06 0.00 -1.21 0.00 0.00 61.69 58.61 3gk6 s THR 19 Cb -0.01 -1.73 0.24 0.00 -1.51 0.00 0.00 72.50 69.49 3gk6 s THR 19 CO 0.08 -0.82 1.91 -1.13 -2.21 0.00 0.00 174.62 172.45 3gk6 h ASN 20 N 2.96 1.08 -0.84 8.08 -0.73 -1.82 -1.97 115.58 122.34 3gk6 h ASN 20 Ca -0.35 -0.02 -0.03 0.00 1.87 0.00 0.00 56.30 57.76 3gk6 h ASN 20 Cb 1.17 -0.26 -0.04 0.00 0.27 0.00 0.00 38.32 39.46 3gk6 h ASN 20 CO 0.64 0.77 0.40 0.00 -0.37 0.00 0.00 177.43 178.87 3gk6 h ALA 21 N 1.37 1.11 -0.54 1.57 0.00 -1.94 -2.24 119.26 118.59 3gk6 h ALA 21 Ca 0.36 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3gk6 h ALA 21 Cb -0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.33 3gk6 h ALA 21 CO -0.09 0.67 0.15 -0.44 0.00 0.00 0.00 179.25 179.53 3gk6 h ASP 22 N 1.21 0.75 0.00 0.00 3.32 -1.79 -2.95 116.42 116.95 3gk6 h ASP 22 Ca 0.29 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3gk6 h ASP 22 Cb 0.13 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3gk6 h ASP 22 CO -0.03 0.73 0.00 -0.62 -1.72 0.00 0.00 179.24 177.59 3gk6 n GLU 23 N -4.29 0.81 0.00 3.56 -0.58 -0.79 -2.16 120.64 117.19 3gk6 n GLU 23 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 3gk6 n GLU 23 Cb 0.21 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 3gk6 n GLU 23 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3gk6 n ASN 25 N 1.31 0.00 -1.36 1.62 2.85 -1.12 -4.67 115.26 113.89 3gk6 n ASN 25 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3gk6 n ASN 25 Cb 0.40 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.42 3gk6 n ASN 25 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3gk6 n PRO 26 N 0.76 0.00 0.00 1.20 -0.02 -1.26 -1.53 135.00 134.15 3gk6 n PRO 26 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3gk6 n PRO 26 Cb 0.00 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 3gk6 n PRO 26 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3gk6 n THR 28 N 1.08 0.00 -1.86 3.45 -2.24 -1.26 -4.99 114.28 108.46 3gk6 n THR 28 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 3gk6 n THR 28 Cb 0.00 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.24 3gk6 n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gk6 s ALA 29 N 0.00 3.22 -0.04 6.98 0.00 -0.58 -4.71 121.76 126.63 3gk6 s ALA 29 Ca 0.00 1.40 0.08 0.00 0.00 0.00 0.00 51.96 53.44 3gk6 s ALA 29 Cb 0.00 -3.56 -0.13 0.00 0.00 0.00 0.00 23.12 19.43 3gk6 s ALA 29 CO 0.00 -1.11 0.20 1.63 0.00 0.00 0.00 175.76 176.48 3gk6 n LYS 30 N -0.16 0.53 -0.12 0.00 5.02 -1.26 -4.71 118.16 117.45 3gk6 n LYS 30 Ca 0.05 -0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 56.14 3gk6 n LYS 30 Cb 0.42 -1.18 -0.02 0.00 -0.02 0.00 0.00 35.03 34.23 3gk6 n LYS 30 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3gk6 h ILE 31 N 0.00 1.27 -0.36 -0.18 2.04 -1.97 -0.59 117.51 117.73 3gk6 h ILE 31 Ca 0.00 -1.50 0.04 0.00 1.00 0.00 0.00 64.86 64.40 3gk6 h ILE 31 Cb 0.37 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 3gk6 h ILE 31 CO 0.00 0.50 0.13 1.23 0.00 0.00 0.00 178.15 180.01 3gk6 h GLY 32 N 0.73 0.46 1.37 5.37 0.00 -2.00 -1.77 103.07 107.22 3gk6 h GLY 32 Ca 0.07 -0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 3gk6 h GLY 32 CO 0.08 0.04 -0.05 3.43 0.00 0.00 0.00 176.54 180.04 3gk6 h ASN 33 N 0.29 0.74 -0.41 0.19 2.35 -1.78 -1.91 115.58 115.05 3gk6 h ASN 33 Ca 0.16 -0.20 0.06 0.00 -0.55 0.00 0.00 56.30 55.77 3gk6 h ASN 33 Cb 0.13 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.25 3gk6 h ASN 33 CO -0.16 0.84 0.12 0.25 -1.65 0.00 0.00 177.43 176.83 3gk6 h LEU 34 N 0.70 0.09 -0.91 1.61 5.85 -0.75 -1.32 115.31 120.58 3gk6 h LEU 34 Ca 0.13 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 3gk6 h LEU 34 Cb 0.51 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3gk6 h LEU 34 CO 0.03 0.09 -0.16 -0.50 -0.34 0.00 0.00 178.44 177.56 3gk6 h TRP 35 N 0.27 0.68 -0.82 1.25 4.06 -0.98 -1.69 115.95 118.73 3gk6 h TRP 35 Ca 0.19 -0.13 -0.01 0.00 2.06 0.00 0.00 58.89 61.01 3gk6 h TRP 35 Cb 0.20 -0.18 -0.04 0.00 -1.00 0.00 0.00 29.16 28.15 3gk6 h TRP 35 CO -0.17 0.75 0.47 1.49 -3.56 0.00 0.00 178.44 177.41 3gk6 h GLU 36 N 0.56 1.13 -0.80 0.49 4.57 -0.96 0.18 114.58 119.75 3gk6 h GLU 36 Ca 0.09 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 3gk6 h GLU 36 Cb 0.59 -0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 3gk6 h GLU 36 CO 0.04 0.82 0.43 -0.22 -1.18 0.00 0.00 179.01 178.91 3gk6 h LYS 37 N 1.14 1.13 -0.20 1.92 3.64 -0.94 -0.42 116.57 122.83 3gk6 h LYS 37 Ca 0.29 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3gk6 h LYS 37 Cb 0.01 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 3gk6 h LYS 37 CO -0.05 0.84 0.09 0.35 -2.27 0.00 0.00 179.45 178.41 3gk6 h PHE 38 N 1.12 0.30 -0.72 1.91 3.57 -0.64 0.20 116.94 122.67 3gk6 h PHE 38 Ca 0.28 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.82 3gk6 h PHE 38 Cb 0.04 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.64 3gk6 h PHE 38 CO 0.00 0.32 0.42 1.88 -2.23 0.00 0.00 178.31 178.70 3gk6 h TYR 39 N 0.19 0.77 0.12 0.41 0.05 -0.45 0.15 116.97 118.21 3gk6 h TYR 39 Ca 0.07 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 3gk6 h TYR 39 Cb 0.13 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 37.63 3gk6 h TYR 39 CO -0.02 0.38 -0.06 1.25 -1.05 0.00 0.00 178.16 178.66 3gk6 h LEU 40 N 0.77 -0.13 0.00 3.88 5.85 -0.76 -3.32 115.31 121.60 3gk6 h LEU 40 Ca 0.32 -0.34 -0.29 0.00 0.84 0.00 0.00 57.88 58.41 3gk6 h LEU 40 Cb 0.17 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3gk6 h LEU 40 CO -0.17 0.29 -2.15 0.59 -0.34 0.00 0.00 178.44 176.66 3gk6 n ASN 41 N -4.97 0.21 -0.07 1.25 3.02 0.66 -4.71 115.26 110.66 3gk6 n ASN 41 Ca -0.09 0.10 -0.09 0.00 -0.03 0.00 0.00 54.58 54.47 3gk6 n ASN 41 Cb 0.24 0.88 -0.07 0.00 -0.61 0.00 0.00 39.78 40.23 3gk6 n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gk6 n ALA 42 N -2.63 1.70 -0.33 5.41 0.00 0.35 -4.66 120.51 120.36 3gk6 n ALA 42 Ca -0.25 -0.60 0.04 0.00 0.00 0.00 0.00 53.44 52.63 3gk6 n ALA 42 Cb 1.04 0.17 0.19 0.00 0.00 0.00 0.00 19.45 20.84 3gk6 n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gk6 h ALA 43 N 0.04 1.31 0.00 0.00 0.00 -1.18 -1.16 119.26 118.28 3gk6 h ALA 43 Ca -0.31 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3gk6 h ALA 43 Cb 1.50 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3gk6 h ALA 43 CO -0.04 0.22 0.00 -1.35 0.00 0.00 0.00 179.25 178.07 3gk6 h PRO 44 N 0.94 0.00 -0.02 0.00 0.11 -1.83 -1.44 132.00 129.75 3gk6 h PRO 44 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3gk6 h PRO 44 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 3gk6 h PRO 44 CO -0.23 0.00 -0.09 1.63 -0.21 0.00 0.00 178.00 179.10 3gk6 n LYS 45 N -2.42 1.98 -1.83 1.05 5.02 -0.44 -4.97 118.16 116.54 3gk6 n LYS 45 Ca -0.01 -1.56 -0.31 0.00 -2.02 0.00 0.00 58.31 54.42 3gk6 n LYS 45 Cb 0.08 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.65 3gk6 n LYS 45 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gk6 s LEU 46 N -2.10 3.08 0.53 -0.35 1.43 -0.55 -4.94 118.68 115.79 3gk6 s LEU 46 Ca 0.28 1.34 0.04 0.00 -1.03 0.00 0.00 54.13 54.76 3gk6 s LEU 46 Cb 0.20 -4.27 0.02 0.00 0.03 0.00 0.00 46.19 42.17 3gk6 s LEU 46 CO 0.36 -1.12 0.26 0.42 0.23 0.00 0.00 176.35 176.50 3gk6 s THR 47 N -3.23 1.49 -0.07 5.49 -4.23 -1.26 -5.00 115.64 108.83 3gk6 s THR 47 Ca 0.57 -1.67 0.31 0.00 -1.18 0.00 0.00 61.69 59.72 3gk6 s THR 47 Cb -0.11 -2.16 0.36 0.00 1.34 0.00 0.00 72.50 71.93 3gk6 s THR 47 CO 0.53 0.00 1.90 0.44 -0.54 0.00 0.00 174.62 176.95 3gk6 h ASP 48 N 0.96 0.00 -0.22 3.99 3.32 -2.01 -2.45 116.42 120.00 3gk6 h ASP 48 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 3gk6 h ASP 48 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3gk6 h ASP 48 CO 0.63 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 178.44 3gk6 n LYS 49 N -2.91 2.41 -1.94 3.56 5.02 -1.26 -4.96 118.16 118.09 3gk6 n LYS 49 Ca 0.01 -2.09 -0.42 0.00 -2.02 0.00 0.00 58.31 53.79 3gk6 n LYS 49 Cb 0.31 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 3gk6 n LYS 49 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3gk6 s SER 50 N -1.72 6.58 -0.15 4.39 0.01 -0.93 -4.99 113.70 116.89 3gk6 s SER 50 Ca 0.34 2.68 -0.07 0.00 1.31 0.00 0.00 55.95 60.21 3gk6 s SER 50 Cb 0.22 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 3gk6 s SER 50 CO 0.31 -0.79 0.10 -0.54 0.41 0.00 0.00 173.24 172.73 3gk6 s LYS 51 N 0.39 3.71 -0.08 12.44 1.02 -1.26 -4.95 119.74 131.02 3gk6 s LYS 51 Ca 0.65 -0.24 0.02 0.00 0.02 0.00 0.00 55.97 56.42 3gk6 s LYS 51 Cb -0.44 -3.20 -0.02 0.00 -0.52 0.00 0.00 37.83 33.64 3gk6 s LYS 51 CO 0.38 0.52 -0.12 0.08 -0.92 0.00 0.00 175.35 175.29 3gk6 s VAL 52 N -0.31 3.24 0.07 3.17 1.01 -1.26 -2.33 120.40 123.99 3gk6 s VAL 52 Ca 0.10 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.46 3gk6 s VAL 52 Cb -0.12 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3gk6 s VAL 52 CO 0.01 0.57 -0.07 -0.31 0.00 0.00 0.00 175.10 175.31 3gk6 s TYR 53 N -0.47 0.74 -0.36 5.22 2.02 -0.20 -1.19 117.35 123.11 3gk6 s TYR 53 Ca 0.06 -0.71 -0.02 0.00 -0.37 0.00 0.00 57.07 56.04 3gk6 s TYR 53 Cb -0.12 -0.44 0.08 0.00 -0.40 0.00 0.00 41.96 41.08 3gk6 s TYR 53 CO 0.02 -0.13 0.11 0.20 -1.57 0.00 0.00 175.55 174.17 3gk6 s GLY 54 N -2.26 1.89 0.17 0.71 0.00 -0.23 -1.54 107.32 106.06 3gk6 s GLY 54 Ca -0.00 -2.22 -0.26 0.00 0.00 0.00 0.00 44.72 42.24 3gk6 s GLY 54 CO -0.02 0.88 0.79 1.08 0.00 0.00 0.00 173.10 175.83 3gk6 s LEU 55 N 1.16 4.60 -0.17 0.66 1.02 0.33 -0.59 118.68 125.70 3gk6 s LEU 55 Ca 0.03 1.67 0.01 0.00 0.02 0.00 0.00 54.13 55.86 3gk6 s LEU 55 Cb -0.21 -3.32 0.02 0.00 0.02 0.00 0.00 46.19 42.70 3gk6 s LEU 55 CO -0.03 0.21 -0.18 -0.31 0.02 0.00 0.00 176.35 176.05 3gk6 s TYR 56 N -1.15 2.62 0.32 0.29 2.02 0.33 -0.58 117.35 121.20 3gk6 s TYR 56 Ca 0.36 -1.55 -0.11 0.00 -0.37 0.00 0.00 57.07 55.40 3gk6 s TYR 56 Cb -0.23 -1.83 0.04 0.00 -0.40 0.00 0.00 41.96 39.54 3gk6 s TYR 56 CO 0.27 -0.77 0.62 -2.37 -1.57 0.00 0.00 175.55 171.72 3gk6 n THR 57 N 4.66 0.00 -4.00 -0.71 5.66 -0.62 -0.60 114.28 118.67 3gk6 n THR 57 Ca -0.20 -0.84 -0.28 0.00 -3.05 0.00 0.00 64.05 59.68 3gk6 n THR 57 Cb 0.50 0.80 -0.03 0.00 -1.55 0.00 0.00 70.33 70.05 3gk6 n THR 57 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 3gk6 n ASN 58 N -1.45 -0.87 -4.69 1.09 3.02 -1.25 -0.38 115.26 110.74 3gk6 n ASN 58 Ca -0.07 -1.08 -0.42 0.00 -0.03 0.00 0.00 54.58 52.98 3gk6 n ASN 58 Cb 0.48 -2.74 -0.03 0.00 -0.61 0.00 0.00 39.78 36.88 3gk6 n ASN 58 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3gk6 s TYR 59 N -3.96 2.66 0.24 3.10 2.02 -1.26 -4.08 117.35 116.07 3gk6 s TYR 59 Ca 0.09 0.63 -0.05 0.00 -0.37 0.00 0.00 57.07 57.37 3gk6 s TYR 59 Cb -0.04 -3.76 0.39 0.00 -0.40 0.00 0.00 41.96 38.15 3gk6 s TYR 59 CO 0.91 -2.94 1.81 1.49 -1.57 0.00 0.00 175.55 175.25 3gk6 h GLU 60 N 8.13 0.74 0.00 -0.62 4.81 -0.88 -3.46 114.58 123.30 3gk6 h GLU 60 Ca -0.39 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3gk6 h GLU 60 Cb 1.18 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3gk6 h GLU 60 CO 0.92 0.49 0.00 -1.13 -0.73 0.00 0.00 179.01 178.56 3gk6 n SER 61 N -4.76 0.00 0.00 1.04 3.41 -1.26 -4.96 113.62 107.09 3gk6 n SER 61 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 3gk6 n SER 61 Cb 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 3gk6 n SER 61 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3gk6 n ASP 62 N 0.00 0.15 0.06 4.04 5.68 -1.26 -4.95 116.55 120.27 3gk6 n ASP 62 Ca 0.00 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.37 3gk6 n ASP 62 Cb 0.00 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.35 3gk6 n ASP 62 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 3gk6 n PHE 63 N 0.00 0.36 1.19 2.11 1.16 -1.26 -1.83 117.46 119.19 3gk6 n PHE 63 Ca 0.00 0.15 0.12 0.00 -1.87 0.00 0.00 57.45 55.85 3gk6 n PHE 63 Cb 0.00 -0.74 0.27 0.00 -1.61 0.00 0.00 39.48 37.39 3gk6 n PHE 63 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 3gk6 n THR 64 N -1.84 0.00 -3.73 1.97 -2.24 -1.26 -4.63 114.28 102.55 3gk6 n THR 64 Ca 0.02 -0.19 -0.25 0.00 -2.27 0.00 0.00 64.05 61.35 3gk6 n THR 64 Cb 0.16 0.71 0.01 0.00 -2.10 0.00 0.00 70.33 69.11 3gk6 n THR 64 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3gk6 s GLY 65 N -2.42 2.26 0.79 3.38 0.00 -0.76 -4.90 107.32 105.67 3gk6 s GLY 65 Ca 0.24 -1.36 -0.11 0.00 0.00 0.00 0.00 44.72 43.49 3gk6 s GLY 65 CO 0.51 -1.91 1.09 0.00 0.00 0.00 0.00 173.10 172.78 3gk6 s ALA 66 N -2.79 2.15 0.12 3.20 0.00 -1.26 -4.52 121.76 118.65 3gk6 s ALA 66 Ca 0.38 0.13 -0.23 0.00 0.00 0.00 0.00 51.96 52.24 3gk6 s ALA 66 Cb -0.03 -3.23 0.06 0.00 0.00 0.00 0.00 23.12 19.93 3gk6 s ALA 66 CO 0.24 -1.83 0.58 -0.59 0.00 0.00 0.00 175.76 174.17 3gk6 s PHE 67 N -2.95 -0.51 0.08 0.00 -0.12 -0.54 -0.18 117.98 113.76 3gk6 s PHE 67 Ca 0.61 0.40 -0.21 0.00 -0.05 0.00 0.00 56.93 57.69 3gk6 s PHE 67 Cb -0.17 0.48 -0.07 0.00 -0.63 0.00 0.00 43.02 42.64 3gk6 s PHE 67 CO 0.56 -0.78 0.61 -0.51 -0.05 0.00 0.00 175.22 175.05 3gk6 s ASP 68 N -2.46 7.11 -0.11 1.98 1.01 0.49 -1.45 116.67 123.24 3gk6 s ASP 68 Ca -0.01 1.31 0.00 0.00 0.71 0.00 0.00 52.55 54.57 3gk6 s ASP 68 Cb -0.01 -2.39 -0.02 0.00 1.01 0.00 0.00 42.92 41.52 3gk6 s ASP 68 CO -0.09 0.23 -0.12 -0.69 0.21 0.00 0.00 175.17 174.72 3gk6 s VAL 69 N -0.95 3.21 -0.16 -1.27 1.01 0.07 -1.59 120.40 120.72 3gk6 s VAL 69 Ca 0.31 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 3gk6 s VAL 69 Cb -0.20 -2.33 0.04 0.00 0.00 0.00 0.00 36.38 33.89 3gk6 s VAL 69 CO 0.20 0.54 -0.07 -0.63 0.00 0.00 0.00 175.10 175.14 3gk6 s ILE 70 N 0.01 1.21 -0.36 2.22 1.01 0.25 -1.43 121.20 124.11 3gk6 s ILE 70 Ca -0.03 -0.62 -0.22 0.00 0.00 0.00 0.00 60.65 59.78 3gk6 s ILE 70 Cb -0.14 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 41.01 3gk6 s ILE 70 CO 0.04 0.21 0.73 0.00 0.00 0.00 0.00 174.94 175.91 3gk6 s ALA 71 N 1.60 3.45 0.31 9.38 0.00 -0.41 -0.51 121.76 135.58 3gk6 s ALA 71 Ca 0.02 -0.72 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 3gk6 s ALA 71 Cb -0.15 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.70 3gk6 s ALA 71 CO -0.08 -1.41 0.58 0.00 0.00 0.00 0.00 175.76 174.84 3gk6 s SER 73 N -3.07 -0.20 0.40 0.00 0.15 -0.47 -1.03 113.70 109.48 3gk6 s SER 73 Ca 0.22 -0.10 0.21 0.00 0.70 0.00 0.00 55.95 56.97 3gk6 s SER 73 Cb -0.02 0.39 0.75 0.00 -1.71 0.00 0.00 66.02 65.43 3gk6 s SER 73 CO 0.12 -0.64 1.76 -2.24 1.20 0.00 0.00 173.24 173.44 3gk6 h ASP 74 N 3.10 0.00 0.62 5.45 2.03 -1.66 -0.96 116.42 125.01 3gk6 h ASP 74 Ca -0.32 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.98 3gk6 h ASP 74 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 3gk6 h ASP 74 CO 0.45 0.31 -0.94 0.35 -1.03 0.00 0.00 179.24 178.37 3gk6 n THR 75 N -3.44 0.28 -1.45 1.15 -2.24 -1.26 -4.76 114.28 102.56 3gk6 n THR 75 Ca 0.00 -0.30 -0.32 0.00 -2.27 0.00 0.00 64.05 61.16 3gk6 n THR 75 Cb 0.49 0.02 0.07 0.00 -2.10 0.00 0.00 70.33 68.81 3gk6 n THR 75 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3gk6 s LEU 76 N -4.24 3.16 0.01 3.22 1.43 -1.22 -5.07 118.68 115.98 3gk6 s LEU 76 Ca 0.03 1.88 -0.00 0.00 -1.03 0.00 0.00 54.13 55.01 3gk6 s LEU 76 Cb 0.13 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.81 3gk6 s LEU 76 CO 0.78 -1.87 -0.02 -0.94 0.23 0.00 0.00 176.35 174.53 3gk6 s SER 77 N -3.13 0.18 0.00 2.29 1.04 -1.26 -4.42 113.70 108.40 3gk6 s SER 77 Ca 0.63 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.69 3gk6 s SER 77 Cb -0.18 0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.06 3gk6 s SER 77 CO 0.51 -0.23 0.23 -2.65 0.98 0.00 0.00 173.24 172.07 3gk6 n PRO 78 N 1.95 0.14 -0.11 4.02 -0.02 -1.26 -0.65 135.00 139.06 3gk6 n PRO 78 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 3gk6 n PRO 78 Cb 0.56 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 3gk6 n PRO 78 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3gk6 n GLN 79 N -0.57 0.00 -0.02 -0.52 6.02 -1.26 -4.52 117.38 116.51 3gk6 n GLN 79 Ca 0.00 -0.60 0.10 0.00 -0.01 0.00 0.00 57.00 56.50 3gk6 n GLN 79 Cb 0.00 -0.49 0.10 0.00 1.02 0.00 0.00 30.24 30.87 3gk6 n GLN 79 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3gk6 n LEU 80 N 0.00 2.79 -3.46 1.08 7.94 0.18 -4.93 117.00 120.60 3gk6 n LEU 80 Ca 0.00 -1.07 -0.05 0.00 -1.11 0.00 0.00 56.01 53.77 3gk6 n LEU 80 Cb 0.54 -0.03 -0.07 0.00 0.53 0.00 0.00 43.42 44.40 3gk6 n LEU 80 CO 0.00 0.50 0.05 -0.22 -1.11 0.00 0.00 177.39 176.61 3gk6 s LEU 81 N -1.66 -0.84 0.45 -1.96 2.96 -1.07 -4.91 118.68 111.65 3gk6 s LEU 81 Ca 0.25 0.78 -0.22 0.00 -0.22 0.00 0.00 54.13 54.72 3gk6 s LEU 81 Cb 0.18 1.54 -0.08 0.00 0.50 0.00 0.00 46.19 48.32 3gk6 s LEU 81 CO 0.26 -0.26 1.07 -0.94 -1.32 0.00 0.00 176.35 175.16 3gk6 s SER 82 N 2.67 6.43 0.00 3.68 1.04 -1.26 -3.43 113.70 122.84 3gk6 s SER 82 Ca 0.07 2.05 0.00 0.00 0.48 0.00 0.00 55.95 58.55 3gk6 s SER 82 Cb -0.14 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.40 3gk6 s SER 82 CO -0.16 -0.72 0.00 -0.62 0.98 0.00 0.00 173.24 172.72 3gk6 n GLU 83 N -0.55 -0.40 -2.99 4.02 1.02 -1.26 -5.00 120.64 115.47 3gk6 n GLU 83 Ca 0.07 0.10 -0.24 0.00 -0.02 0.00 0.00 57.16 57.07 3gk6 n GLU 83 Cb 0.50 -3.46 0.00 0.00 -0.02 0.00 0.00 31.44 28.47 3gk6 n GLU 83 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3gk6 s SER 84 N -2.26 6.01 0.01 1.62 1.04 -1.22 -4.81 113.70 114.08 3gk6 s SER 84 Ca 0.00 0.46 0.05 0.00 0.48 0.00 0.00 55.95 56.94 3gk6 s SER 84 Cb 0.00 -1.79 -0.02 0.00 0.10 0.00 0.00 66.02 64.31 3gk6 s SER 84 CO 0.00 -0.60 -0.14 0.68 0.98 0.00 0.00 173.24 174.16 3gk6 s VAL 85 N -2.55 1.11 -0.14 5.02 -7.23 -0.21 -4.85 120.40 111.54 3gk6 s VAL 85 Ca 0.46 -0.80 -0.12 0.00 -1.81 0.00 0.00 61.98 59.71 3gk6 s VAL 85 Cb -0.10 -0.97 -0.05 0.00 0.56 0.00 0.00 36.38 35.82 3gk6 s VAL 85 CO 0.39 0.16 0.24 -0.75 -0.31 0.00 0.00 175.10 174.83 3gk6 s LYS 86 N -0.74 4.06 -0.02 4.82 2.20 -1.26 -2.05 119.74 126.76 3gk6 s LYS 86 Ca 0.04 0.03 0.04 0.00 -0.36 0.00 0.00 55.97 55.72 3gk6 s LYS 86 Cb -0.07 -3.36 -0.01 0.00 -1.51 0.00 0.00 37.83 32.88 3gk6 s LYS 86 CO 0.00 0.40 -0.15 0.99 -0.36 0.00 0.00 175.35 176.23 3gk6 s THR 87 N 0.01 1.19 -0.25 3.43 2.01 0.37 -5.00 115.64 117.39 3gk6 s THR 87 Ca 0.15 -0.63 -0.10 0.00 0.31 0.00 0.00 61.69 61.42 3gk6 s THR 87 Cb -0.13 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 3gk6 s THR 87 CO 0.04 0.34 0.15 -1.59 -0.69 0.00 0.00 174.62 172.86 3gk6 s LYS 88 N -0.28 3.96 -0.19 4.92 -2.85 -1.26 -1.33 119.74 122.70 3gk6 s LYS 88 Ca 0.04 -0.32 -0.20 0.00 -1.00 0.00 0.00 55.97 54.49 3gk6 s LYS 88 Cb -0.06 -3.52 -0.03 0.00 -2.06 0.00 0.00 37.83 32.16 3gk6 s LYS 88 CO -0.00 -0.03 0.58 0.08 0.10 0.00 0.00 175.35 176.07 3gk6 s VAL 89 N 1.31 5.06 0.41 1.79 1.01 -0.12 -4.98 120.40 124.88 3gk6 s VAL 89 Ca 0.07 1.09 -0.23 0.00 0.00 0.00 0.00 61.98 62.91 3gk6 s VAL 89 Cb -0.14 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 3gk6 s VAL 89 CO 0.06 0.15 1.01 -0.44 0.00 0.00 0.00 175.10 175.88 3gk6 s SER 90 N 1.16 6.78 0.57 3.32 0.01 -1.26 -1.37 113.70 122.91 3gk6 s SER 90 Ca 0.27 1.92 -0.21 0.00 1.31 0.00 0.00 55.95 59.25 3gk6 s SER 90 Cb -0.16 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 3gk6 s SER 90 CO 0.10 -0.47 1.27 -1.20 0.41 0.00 0.00 173.24 173.35 3gk6 n SER 91 N -0.27 2.21 0.00 2.44 7.64 -1.26 -4.38 113.62 119.99 3gk6 n SER 91 Ca 0.06 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.86 3gk6 n SER 91 Cb 0.51 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 3gk6 n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gk6 n GLY 92 N 0.89 -1.33 3.70 0.23 0.00 -0.78 -4.87 105.19 103.03 3gk6 n GLY 92 Ca 0.12 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 3gk6 n GLY 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gk6 s LYS 93 N -0.82 4.24 0.10 1.61 2.20 -1.26 -0.85 119.74 124.96 3gk6 s LYS 93 Ca 0.00 0.20 0.05 0.00 -0.36 0.00 0.00 55.97 55.86 3gk6 s LYS 93 Cb 0.00 -3.47 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 3gk6 s LYS 93 CO 0.00 0.11 -0.13 0.71 -0.36 0.00 0.00 175.35 175.68 3gk6 s TYR 94 N 0.84 1.24 -0.25 4.03 2.02 0.05 -1.85 117.35 123.43 3gk6 s TYR 94 Ca 0.19 -0.56 -0.08 0.00 -0.37 0.00 0.00 57.07 56.24 3gk6 s TYR 94 Cb -0.14 -0.67 -0.04 0.00 -0.40 0.00 0.00 41.96 40.71 3gk6 s TYR 94 CO 0.07 0.08 0.11 0.08 -1.57 0.00 0.00 175.55 174.31 3gk6 s VAL 95 N -2.02 4.69 -0.12 0.71 1.01 -0.37 -0.86 120.40 123.44 3gk6 s VAL 95 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 3gk6 s VAL 95 Cb -0.05 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 3gk6 s VAL 95 CO 0.02 0.33 -0.11 -0.89 0.00 0.00 0.00 175.10 174.45 3gk6 s THR 96 N 1.46 3.27 0.04 3.92 2.01 0.10 -0.76 115.64 125.69 3gk6 s THR 96 Ca 0.06 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.51 3gk6 s THR 96 Cb -0.15 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 3gk6 s THR 96 CO 0.05 0.53 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.10 3gk6 s PHE 97 N 0.10 2.88 0.00 4.92 0.40 0.57 -0.78 117.98 126.08 3gk6 s PHE 97 Ca -0.05 -0.06 0.01 0.00 -0.60 0.00 0.00 56.93 56.23 3gk6 s PHE 97 Cb -0.14 -1.56 -0.01 0.00 0.51 0.00 0.00 43.02 41.82 3gk6 s PHE 97 CO 0.04 0.41 -0.03 0.45 0.70 0.00 0.00 175.22 176.79 3gk6 s SER 98 N -1.78 0.35 0.09 1.36 0.15 -0.84 -0.89 113.70 112.14 3gk6 s SER 98 Ca 0.20 -0.13 -0.13 0.00 0.70 0.00 0.00 55.95 56.59 3gk6 s SER 98 Cb -0.11 -0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.20 3gk6 s SER 98 CO 0.11 -0.02 0.29 0.00 1.20 0.00 0.00 173.24 174.83 3gk6 s ALA 99 N -0.31 -0.59 -0.04 5.45 0.00 -0.88 -0.78 121.76 124.61 3gk6 s ALA 99 Ca -0.01 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.73 3gk6 s ALA 99 Cb -0.03 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.60 3gk6 s ALA 99 CO -0.00 -0.52 -0.09 0.99 0.00 0.00 0.00 175.76 176.14 3gk6 s THR 100 N -3.42 0.82 -0.93 0.00 2.01 -0.09 -1.79 115.64 112.23 3gk6 s THR 100 Ca 0.01 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.67 3gk6 s THR 100 Cb 0.02 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.77 3gk6 s THR 100 CO -0.09 0.27 0.00 0.61 -0.69 0.00 0.00 174.62 174.72 3gk6 n GLY 101 N 3.60 -0.60 0.00 4.40 0.00 -0.39 -0.77 105.19 111.43 3gk6 n GLY 101 Ca -0.21 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3gk6 n GLY 101 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gk6 n GLU 102 N 0.00 0.32 0.00 1.61 1.02 -1.26 -4.62 120.64 117.71 3gk6 n GLU 102 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3gk6 n GLU 102 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3gk6 n GLU 102 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3gk6 n PRO 104 N -0.49 0.00 -0.30 3.49 -0.04 -1.26 0.17 135.00 136.56 3gk6 n PRO 104 Ca 0.00 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.60 3gk6 n PRO 104 Cb 0.00 -1.18 0.31 0.00 -0.04 0.00 0.00 33.50 32.59 3gk6 n PRO 104 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3gk6 h GLN 105 N 0.00 0.19 -0.61 0.54 4.15 -2.00 -1.83 115.11 115.55 3gk6 h GLN 105 Ca 0.00 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.34 3gk6 h GLN 105 Cb 0.00 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 3gk6 h GLN 105 CO 0.00 0.13 0.09 -0.24 -1.93 0.00 0.00 178.83 176.88 3gk6 h VAL 106 N 0.20 1.25 -0.15 2.39 3.04 -0.58 -0.87 116.25 121.53 3gk6 h VAL 106 Ca 0.57 -0.99 -0.18 0.00 -1.01 0.00 0.00 66.70 65.09 3gk6 h VAL 106 Cb 1.18 0.68 -0.00 0.00 -2.01 0.00 0.00 31.29 31.14 3gk6 h VAL 106 CO -0.67 0.37 -0.65 1.62 -1.01 0.00 0.00 177.57 177.23 3gk6 h VAL 107 N 0.93 1.33 -0.34 1.51 3.04 -1.61 0.10 116.25 121.21 3gk6 h VAL 107 Ca 0.19 -1.94 -0.01 0.00 -1.01 0.00 0.00 66.70 63.93 3gk6 h VAL 107 Cb 0.41 1.91 -0.02 0.00 -2.01 0.00 0.00 31.29 31.59 3gk6 h VAL 107 CO 0.01 0.60 0.17 0.40 -1.01 0.00 0.00 177.57 177.74 3gk6 h ILE 108 N 0.41 1.15 0.00 3.17 2.04 -1.12 -2.27 117.51 120.89 3gk6 h ILE 108 Ca -0.01 -0.42 -0.14 0.00 1.00 0.00 0.00 64.86 65.29 3gk6 h ILE 108 Cb 1.22 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 3gk6 h ILE 108 CO 0.12 0.16 -0.66 0.44 0.00 0.00 0.00 178.15 178.21 3gk6 h ASP 109 N 0.42 0.00 -0.30 1.72 3.32 -1.05 -2.86 116.42 117.67 3gk6 h ASP 109 Ca 0.12 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3gk6 h ASP 109 Cb 0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3gk6 h ASP 109 CO -0.02 0.66 -0.00 0.25 -1.72 0.00 0.00 179.24 178.41 3gk6 h LEU 110 N 0.00 0.60 -1.64 1.55 5.85 -0.59 -1.86 115.31 119.23 3gk6 h LEU 110 Ca -0.01 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 3gk6 h LEU 110 Cb 1.20 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3gk6 h LEU 110 CO 0.09 0.68 -0.00 -0.50 -0.34 0.00 0.00 178.44 178.36 3gk6 h TRP 111 N 0.60 0.22 -0.72 1.25 4.06 -1.17 -1.39 115.95 118.80 3gk6 h TRP 111 Ca 0.12 -0.01 -0.04 0.00 2.06 0.00 0.00 58.89 61.03 3gk6 h TRP 111 Cb 0.39 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.44 3gk6 h TRP 111 CO 0.02 0.24 0.29 -0.91 -3.56 0.00 0.00 178.44 174.52 3gk6 h ASN 112 N 0.22 0.96 -0.68 -3.49 2.35 -1.32 -0.50 115.58 113.12 3gk6 h ASN 112 Ca 0.05 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 3gk6 h ASN 112 Cb 0.16 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3gk6 h ASN 112 CO 0.00 0.85 0.27 -0.33 -1.65 0.00 0.00 177.43 176.58 3gk6 h GLU 113 N 1.03 1.02 -0.13 0.81 4.39 -1.09 -1.00 114.58 119.61 3gk6 h GLU 113 Ca 0.24 -0.18 0.02 0.00 0.34 0.00 0.00 59.36 59.78 3gk6 h GLU 113 Cb 0.18 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 3gk6 h GLU 113 CO -0.02 0.84 0.01 0.28 -1.16 0.00 0.00 179.01 178.97 3gk6 h VAL 114 N 0.97 0.93 -0.23 3.13 2.07 -0.76 -1.23 116.25 121.13 3gk6 h VAL 114 Ca 0.23 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.76 3gk6 h VAL 114 Cb 0.21 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3gk6 h VAL 114 CO -0.02 0.01 0.04 -0.25 0.02 0.00 0.00 177.57 177.37 3gk6 h TRP 115 N 0.07 0.06 -0.98 1.57 2.91 -0.85 -1.94 115.95 116.79 3gk6 h TRP 115 Ca 0.06 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.12 3gk6 h TRP 115 Cb 0.06 0.01 -0.05 0.00 -0.51 0.00 0.00 29.16 28.67 3gk6 h TRP 115 CO -0.13 0.01 0.65 -0.91 -1.03 0.00 0.00 178.44 177.03 3gk6 h ASN 116 N 0.12 1.10 -0.05 2.65 -0.26 -1.00 -0.53 115.58 117.61 3gk6 h ASN 116 Ca 0.10 -0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.82 3gk6 h ASN 116 Cb 0.11 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 37.10 3gk6 h ASN 116 CO -0.14 0.78 0.02 0.22 -1.06 0.00 0.00 177.43 177.24 3gk6 h TYR 117 N 1.29 0.09 0.00 1.19 3.20 -0.77 -3.24 116.97 118.73 3gk6 h TYR 117 Ca 0.37 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.16 3gk6 h TYR 117 Cb -0.08 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 3gk6 h TYR 117 CO -0.00 0.26 -0.47 0.74 -1.64 0.00 0.00 178.16 177.05 3gk6 h PHE 118 N -0.11 0.00 -0.88 -3.82 0.04 -1.13 -3.44 116.94 107.60 3gk6 h PHE 118 Ca 0.02 0.00 -0.71 0.00 2.80 0.00 0.00 57.97 60.08 3gk6 h PHE 118 Cb 0.21 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.27 3gk6 h PHE 118 CO -0.00 0.33 2.65 0.00 -0.60 0.00 0.00 178.31 180.68 3gk6 n ALA 119 N -2.20 6.97 0.00 2.45 0.00 -0.23 -5.06 120.51 122.45 3gk6 n ALA 119 Ca 0.01 -3.90 0.00 0.00 0.00 0.00 0.00 53.44 49.55 3gk6 n ALA 119 Cb 0.67 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 17.24 3gk6 n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gk6 h PRO 124 N 0.00 0.00 -5.23 0.00 0.11 -1.97 -3.44 132.00 121.48 3gk6 h PRO 124 Ca 0.00 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.73 3gk6 h PRO 124 Cb 0.00 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 30.92 3gk6 h PRO 124 CO 0.00 0.00 -0.75 -1.01 -0.21 0.00 0.00 178.00 176.03 3gk6 s HIS 125 N -4.01 1.23 -0.04 0.65 3.76 -1.26 -5.13 115.29 110.49 3gk6 s HIS 125 Ca -0.04 -0.56 0.06 0.00 -0.15 0.00 0.00 55.06 54.37 3gk6 s HIS 125 Cb 0.12 -0.66 -0.02 0.00 1.11 0.00 0.00 32.58 33.12 3gk6 s HIS 125 CO 0.39 0.07 -0.21 0.15 -0.85 0.00 0.00 174.74 174.28 3gk6 s LYS 126 N -2.46 2.31 0.35 1.40 -0.14 -1.26 -4.98 119.74 114.96 3gk6 s LYS 126 Ca 0.05 -0.84 -0.27 0.00 -1.36 0.00 0.00 55.97 53.55 3gk6 s LYS 126 Cb -0.06 -2.19 -0.09 0.00 -1.68 0.00 0.00 37.83 33.82 3gk6 s LYS 126 CO 0.02 0.56 1.18 1.03 -0.76 0.00 0.00 175.35 177.38 3gk6 s ARG 127 N -0.60 4.29 0.21 1.68 0.52 -1.26 -0.94 118.95 122.84 3gk6 s ARG 127 Ca 0.09 1.91 0.20 0.00 -0.52 0.00 0.00 55.73 57.41 3gk6 s ARG 127 Cb -0.11 -2.90 0.02 0.00 0.52 0.00 0.00 34.95 32.48 3gk6 s ARG 127 CO 0.00 -0.14 1.12 0.00 0.02 0.00 0.00 175.30 176.30 3gk6 h ALA 128 N 3.13 0.64 -6.40 2.13 0.00 -1.24 -3.42 119.26 114.10 3gk6 h ALA 128 Ca -0.48 -0.31 -0.48 0.00 0.00 0.00 0.00 54.91 53.63 3gk6 h ALA 128 Cb 1.23 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 3gk6 h ALA 128 CO 0.64 0.36 -0.85 0.66 0.00 0.00 0.00 179.25 180.06 3gk6 n TYR 129 N -2.88 -1.80 0.00 0.00 4.01 -1.26 -4.92 117.16 110.30 3gk6 n TYR 129 Ca -0.02 0.80 0.00 0.00 -0.16 0.00 0.00 57.90 58.52 3gk6 n TYR 129 Cb 0.66 -3.84 0.00 0.00 -0.31 0.00 0.00 39.34 35.85 3gk6 n TYR 129 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3gk6 n THR 130 N -4.40 0.00 -3.85 -0.72 -2.24 -1.26 -4.52 114.28 97.28 3gk6 n THR 130 Ca -0.22 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.34 3gk6 n THR 130 Cb 0.64 -0.53 -0.17 0.00 -2.10 0.00 0.00 70.33 68.17 3gk6 n THR 130 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3gk6 s THR 131 N 0.00 0.43 0.26 4.28 2.01 -1.26 -3.77 115.64 117.59 3gk6 s THR 131 Ca 0.00 0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.14 3gk6 s THR 131 Cb 0.00 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 3gk6 s THR 131 CO 0.00 0.26 0.08 -1.81 -0.69 0.00 0.00 174.62 172.46 3gk6 s ASP 132 N 1.74 4.98 -0.14 3.53 1.01 0.24 -4.14 116.67 123.88 3gk6 s ASP 132 Ca 0.02 -0.47 -0.19 0.00 0.71 0.00 0.00 52.55 52.62 3gk6 s ASP 132 Cb -0.13 -1.09 0.05 0.00 1.01 0.00 0.00 42.92 42.76 3gk6 s ASP 132 CO -0.04 -0.01 0.49 0.72 0.21 0.00 0.00 175.17 176.54 3gk6 s PHE 133 N -2.23 -0.51 0.08 4.23 -0.12 -0.47 -0.51 117.98 118.46 3gk6 s PHE 133 Ca 0.32 1.15 -0.24 0.00 -0.05 0.00 0.00 56.93 58.10 3gk6 s PHE 133 Cb -0.07 0.20 -0.06 0.00 -0.63 0.00 0.00 43.02 42.46 3gk6 s PHE 133 CO 0.22 -0.33 0.75 -1.21 -0.05 0.00 0.00 175.22 174.60 3gk6 s GLU 134 N -0.18 4.49 -0.19 1.99 2.02 0.24 -0.53 118.70 126.55 3gk6 s GLU 134 Ca -0.04 1.06 0.01 0.00 0.02 0.00 0.00 54.97 56.02 3gk6 s GLU 134 Cb -0.03 -3.33 0.03 0.00 0.10 0.00 0.00 34.13 30.90 3gk6 s GLU 134 CO 0.02 0.39 -0.16 -0.47 0.02 0.00 0.00 175.26 175.06 3gk6 s TYR 135 N -0.43 2.67 -1.25 1.61 5.04 0.14 -1.06 117.35 124.07 3gk6 s TYR 135 Ca 0.37 -1.64 -0.14 0.00 -2.44 0.00 0.00 57.07 53.22 3gk6 s TYR 135 Cb -0.21 -1.82 0.15 0.00 0.35 0.00 0.00 41.96 40.43 3gk6 s TYR 135 CO 0.23 -0.78 1.59 0.66 -1.34 0.00 0.00 175.55 175.91 3gk6 n TYR 136 N 4.64 4.54 -0.34 4.97 4.01 -0.34 -1.32 117.16 133.33 3gk6 n TYR 136 Ca -0.19 -3.17 -0.03 0.00 -0.16 0.00 0.00 57.90 54.36 3gk6 n TYR 136 Cb 0.49 -2.24 0.10 0.00 -0.31 0.00 0.00 39.34 37.37 3gk6 n TYR 136 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3gk6 h LYS 137 N 6.94 1.20 0.00 -0.72 3.64 -1.65 -3.42 116.57 122.55 3gk6 h LYS 137 Ca 0.36 -0.07 -0.24 0.00 -1.27 0.00 0.00 60.65 59.43 3gk6 h LYS 137 Cb 0.82 -0.27 -0.06 0.00 -0.41 0.00 0.00 32.23 32.31 3gk6 h LYS 137 CO 1.37 0.79 -0.12 -1.13 -2.27 0.00 0.00 179.45 178.09 3gk6 n SER 138 N -4.45 -1.21 0.16 4.20 3.41 -0.90 -4.97 113.62 109.86 3gk6 n SER 138 Ca 0.10 -2.67 0.17 0.00 -0.26 0.00 0.00 58.87 56.21 3gk6 n SER 138 Cb 0.02 2.26 0.77 0.00 -0.26 0.00 0.00 64.21 67.01 3gk6 n SER 138 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gk6 h ALA 139 N 1.96 1.99 0.00 7.33 0.00 -1.99 -3.12 119.26 125.43 3gk6 h ALA 139 Ca -0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3gk6 h ALA 139 Cb 1.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3gk6 h ALA 139 CO 0.33 -0.35 0.00 0.09 0.00 0.00 0.00 179.25 179.32 3gk6 n ASN 140 N -4.02 0.29 -4.34 0.00 3.02 -1.26 -5.01 115.26 103.93 3gk6 n ASN 140 Ca 0.03 -0.61 -0.33 0.00 -0.03 0.00 0.00 54.58 53.64 3gk6 n ASN 140 Cb 0.36 0.51 -0.15 0.00 -0.61 0.00 0.00 39.78 39.89 3gk6 n ASN 140 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3gk6 s THR 141 N -0.51 2.86 0.01 3.41 2.01 -1.18 -1.26 115.64 120.98 3gk6 s THR 141 Ca 0.00 -0.73 0.05 0.00 0.31 0.00 0.00 61.69 61.32 3gk6 s THR 141 Cb 0.00 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 3gk6 s THR 141 CO 0.00 0.53 -0.16 0.54 -0.69 0.00 0.00 174.62 174.84 3gk6 s VAL 142 N 0.35 1.28 0.03 3.82 0.11 -0.74 -1.83 120.40 123.42 3gk6 s VAL 142 Ca -0.12 -0.84 0.05 0.00 -2.93 0.00 0.00 61.98 58.14 3gk6 s VAL 142 Cb -0.16 -1.10 -0.03 0.00 -1.53 0.00 0.00 36.38 33.55 3gk6 s VAL 142 CO 0.06 0.24 -0.10 -1.61 -3.33 0.00 0.00 175.10 170.36 3gk6 s GLU 143 N -0.69 2.34 -0.15 1.54 2.02 -0.43 -2.08 118.70 121.25 3gk6 s GLU 143 Ca 0.05 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 54.21 3gk6 s GLU 143 Cb -0.07 -2.38 0.01 0.00 0.10 0.00 0.00 34.13 31.80 3gk6 s GLU 143 CO 0.00 0.57 -0.21 0.42 0.02 0.00 0.00 175.26 176.06 3gk6 s ILE 144 N -1.02 2.01 -0.24 -1.63 1.01 -0.07 0.27 121.20 121.53 3gk6 s ILE 144 Ca 0.17 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 3gk6 s ILE 144 Cb -0.11 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 3gk6 s ILE 144 CO 0.08 0.54 -0.01 -0.44 0.00 0.00 0.00 174.94 175.11 3gk6 s SER 145 N 1.03 4.55 -0.22 3.58 0.01 0.31 -0.31 113.70 122.65 3gk6 s SER 145 Ca -0.02 -0.46 -0.07 0.00 1.31 0.00 0.00 55.95 56.72 3gk6 s SER 145 Cb -0.14 -1.78 -0.03 0.00 0.21 0.00 0.00 66.02 64.28 3gk6 s SER 145 CO -0.07 -0.06 0.05 -0.63 0.41 0.00 0.00 173.24 172.94 3gk6 s ILE 146 N 1.49 4.28 0.13 1.44 -1.09 0.06 -1.37 121.20 126.13 3gk6 s ILE 146 Ca 0.05 -0.19 -0.31 0.00 -2.23 0.00 0.00 60.65 57.96 3gk6 s ILE 146 Cb -0.15 -2.97 -0.09 0.00 -1.58 0.00 0.00 42.46 37.67 3gk6 s ILE 146 CO -0.02 0.39 1.46 0.00 -1.23 0.00 0.00 174.94 175.55 3gk6 s ALA 147 N 1.20 3.66 0.11 9.38 0.00 -1.26 -1.24 121.76 133.61 3gk6 s ALA 147 Ca 0.04 1.21 0.09 0.00 0.00 0.00 0.00 51.96 53.29 3gk6 s ALA 147 Cb -0.14 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 3gk6 s ALA 147 CO 0.03 -0.70 -0.21 0.14 0.00 0.00 0.00 175.76 175.02 3gk6 s VAL 148 N 1.21 1.79 -2.00 0.00 -7.23 -0.77 -0.76 120.40 112.63 3gk6 s VAL 148 Ca 0.67 -1.62 0.28 0.00 -1.81 0.00 0.00 61.98 59.50 3gk6 s VAL 148 Cb -0.39 -1.64 0.79 0.00 0.56 0.00 0.00 36.38 35.69 3gk6 s VAL 148 CO 0.30 -0.08 2.00 0.54 -0.31 0.00 0.00 175.10 177.55