#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gbh s LYS 3 N 0.00 3.40 0.31 3.69 -0.14 -1.26 -5.07 119.74 120.68 3gbh s LYS 3 Ca 0.00 -0.77 -0.29 0.00 -1.36 0.00 0.00 55.97 53.55 3gbh s LYS 3 Cb 0.00 -2.87 -0.12 0.00 -1.68 0.00 0.00 37.83 33.16 3gbh s LYS 3 CO 0.00 0.36 1.42 1.28 -0.76 0.00 0.00 175.35 177.65 3gbh n LEU 4 N -1.46 3.82 -4.61 3.17 4.77 -1.26 -4.95 117.00 116.48 3gbh n LEU 4 Ca -0.08 1.18 -0.43 0.00 -0.03 0.00 0.00 56.01 56.66 3gbh n LEU 4 Cb 0.57 -1.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.11 3gbh n LEU 4 CO 0.45 -0.24 0.85 -0.89 -1.33 0.00 0.00 177.39 176.23 3gbh s THR 5 N -0.61 4.50 0.02 -5.08 2.01 -1.26 -4.99 115.64 110.23 3gbh s THR 5 Ca 0.60 1.28 0.01 0.00 0.31 0.00 0.00 61.69 63.90 3gbh s THR 5 Cb -0.56 -4.40 -0.01 0.00 0.01 0.00 0.00 72.50 67.54 3gbh s THR 5 CO 0.56 -0.62 -0.05 -0.13 -0.69 0.00 0.00 174.62 173.69 3gbh s ARG 6 N 3.69 0.38 -0.25 4.92 1.81 -1.26 -3.80 118.95 124.45 3gbh s ARG 6 Ca 0.41 -0.44 -0.02 0.00 -1.72 0.00 0.00 55.73 53.97 3gbh s ARG 6 Cb -0.11 -0.22 0.03 0.00 -0.45 0.00 0.00 34.95 34.20 3gbh s ARG 6 CO 0.21 0.05 -0.06 0.42 -0.68 0.00 0.00 175.30 175.24 3gbh s ILE 7 N -0.78 2.90 -0.25 1.52 1.01 -0.14 -4.94 121.20 120.52 3gbh s ILE 7 Ca -0.06 -1.03 0.22 0.00 0.00 0.00 0.00 60.65 59.78 3gbh s ILE 7 Cb -0.06 -2.48 -0.29 0.00 0.01 0.00 0.00 42.46 39.63 3gbh s ILE 7 CO -0.00 0.18 0.61 0.59 0.00 0.00 0.00 174.94 176.32 3gbh n ASN 8 N 4.67 0.26 -4.67 3.58 3.02 -1.26 -4.58 115.26 116.27 3gbh n ASN 8 Ca -0.16 -0.19 -0.43 0.00 -0.03 0.00 0.00 54.58 53.77 3gbh n ASN 8 Cb 0.47 1.69 -0.02 0.00 -0.61 0.00 0.00 39.78 41.30 3gbh n ASN 8 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3gbh s ASP 9 N -4.23 7.13 0.15 6.41 2.15 -1.26 -4.94 116.67 122.08 3gbh s ASP 9 Ca -0.04 1.52 -0.18 0.00 0.43 0.00 0.00 52.55 54.29 3gbh s ASP 9 Cb 0.14 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 40.25 3gbh s ASP 9 CO 0.89 -0.58 1.72 0.15 -0.17 0.00 0.00 175.17 177.18 3gbh h PHE 10 N 7.39 0.02 -0.23 -5.34 3.57 -2.00 -0.59 116.94 119.77 3gbh h PHE 10 Ca -0.26 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.17 3gbh h PHE 10 Cb 1.11 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 3gbh h PHE 10 CO 0.74 -0.03 -0.25 -0.91 -2.23 0.00 0.00 178.31 175.64 3gbh h ASN 11 N 0.11 0.43 -0.83 0.41 2.35 -2.00 -2.35 115.58 113.71 3gbh h ASN 11 Ca 0.14 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3gbh h ASN 11 Cb 0.17 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 3gbh h ASN 11 CO -0.22 0.67 0.39 -0.08 -1.65 0.00 0.00 177.43 176.54 3gbh h GLU 12 N 0.38 1.20 0.49 0.81 4.81 -1.72 0.67 114.58 121.22 3gbh h GLU 12 Ca 0.06 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 3gbh h GLU 12 Cb 0.64 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3gbh h GLU 12 CO 0.05 0.93 -0.23 0.28 -0.73 0.00 0.00 179.01 179.31 3gbh h VAL 13 N 1.19 0.51 -0.61 0.32 2.07 -0.83 -2.22 116.25 116.66 3gbh h VAL 13 Ca 0.28 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 67.74 3gbh h VAL 13 Cb 0.14 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 30.41 3gbh h VAL 13 CO -0.03 0.03 0.23 -0.07 0.02 0.00 0.00 177.57 177.74 3gbh h LEU 14 N -0.75 0.22 -1.71 2.57 4.07 -1.30 -2.33 115.31 116.08 3gbh h LEU 14 Ca -0.07 0.08 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 3gbh h LEU 14 Cb 0.55 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 3gbh h LEU 14 CO 0.11 0.13 -0.17 0.78 -1.08 0.00 0.00 178.44 178.21 3gbh h ASN 15 N 0.41 0.00 0.43 -0.43 2.35 -0.77 -3.05 115.58 114.52 3gbh h ASN 15 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3gbh h ASN 15 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3gbh h ASN 15 CO -0.31 0.17 -0.83 -1.20 -1.65 0.00 0.00 177.43 173.60 3gbh n SER 16 N -4.19 0.64 -4.57 5.81 7.64 -0.85 -4.83 113.62 113.27 3gbh n SER 16 Ca -0.02 -0.30 -0.40 0.00 1.01 0.00 0.00 58.87 59.15 3gbh n SER 16 Cb 0.24 0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 64.02 3gbh n SER 16 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3gbh s ARG 17 N -3.11 2.91 0.05 1.43 3.00 -0.92 -4.94 118.95 117.38 3gbh s ARG 17 Ca 0.07 1.02 -0.00 0.00 -1.00 0.00 0.00 55.73 55.81 3gbh s ARG 17 Cb 0.15 -4.31 -0.04 0.00 0.00 0.00 0.00 34.95 30.76 3gbh s ARG 17 CO 0.77 -2.37 -0.04 0.15 0.00 0.00 0.00 175.30 173.82 3gbh s LYS 18 N 6.48 0.59 -0.60 5.12 1.02 -1.26 -5.04 119.74 126.06 3gbh s LYS 18 Ca 0.74 -1.13 -0.27 0.00 0.02 0.00 0.00 55.97 55.33 3gbh s LYS 18 Cb -0.17 0.12 0.01 0.00 -0.52 0.00 0.00 37.83 37.27 3gbh s LYS 18 CO 0.27 -0.08 1.47 -1.12 -0.92 0.00 0.00 175.35 174.96 3gbh s SER 19 N -2.68 5.99 -0.05 2.83 0.01 -1.26 -4.33 113.70 114.22 3gbh s SER 19 Ca 0.04 0.18 -0.18 0.00 1.31 0.00 0.00 55.95 57.30 3gbh s SER 19 Cb 0.04 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 3gbh s SER 19 CO -0.08 -1.84 0.50 -0.69 0.41 0.00 0.00 173.24 171.54 3gbh s VAL 20 N 6.50 5.04 -0.21 3.43 1.01 -0.64 -4.50 120.40 131.03 3gbh s VAL 20 Ca 0.52 1.02 0.06 0.00 0.00 0.00 0.00 61.98 63.58 3gbh s VAL 20 Cb -0.11 -3.83 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 3gbh s VAL 20 CO 0.23 0.43 0.22 0.29 0.00 0.00 0.00 175.10 176.26 3gbh n LYS 21 N 2.84 3.81 -4.01 2.72 5.02 -1.26 -4.12 118.16 123.16 3gbh n LYS 21 Ca -0.09 -0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 55.88 3gbh n LYS 21 Cb 0.52 -0.87 -0.16 0.00 -0.02 0.00 0.00 35.03 34.49 3gbh n LYS 21 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3gbh s VAL 22 N -1.78 1.65 0.32 -0.18 1.01 -1.26 -3.52 120.40 116.65 3gbh s VAL 22 Ca 0.01 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.19 3gbh s VAL 22 Cb 0.04 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 3gbh s VAL 22 CO 0.24 0.29 0.22 -0.36 0.00 0.00 0.00 175.10 175.49 3gbh s PHE 23 N 1.42 2.87 -0.37 5.22 0.08 -1.26 -0.74 117.98 125.19 3gbh s PHE 23 Ca 0.01 -0.29 -0.29 0.00 0.12 0.00 0.00 56.93 56.48 3gbh s PHE 23 Cb -0.15 -1.67 -0.00 0.00 -0.57 0.00 0.00 43.02 40.63 3gbh s PHE 23 CO -0.09 0.30 1.54 0.34 -0.10 0.00 0.00 175.22 177.20 3gbh s ASP 24 N -3.92 6.22 0.56 1.36 -1.08 0.54 -4.49 116.67 115.86 3gbh s ASP 24 Ca 0.38 1.04 0.34 0.00 -0.52 0.00 0.00 52.55 53.79 3gbh s ASP 24 Cb -0.05 -2.54 1.52 0.00 -1.46 0.00 0.00 42.92 40.40 3gbh s ASP 24 CO 0.25 -1.49 2.05 -0.33 0.52 0.00 0.00 175.17 176.17 3gbh h GLU 25 N 11.29 0.00 0.00 4.34 5.08 -1.90 -2.50 114.58 130.89 3gbh h GLU 25 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3gbh h GLU 25 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3gbh h GLU 25 CO 1.06 0.05 -0.61 -0.91 -1.00 0.00 0.00 179.01 177.60 3gbh h ASN 26 N 0.00 0.00 -3.40 1.42 2.35 -1.90 -3.46 115.58 110.59 3gbh h ASN 26 Ca -0.00 -0.02 -0.60 0.00 -0.55 0.00 0.00 56.30 55.13 3gbh h ASN 26 Cb 0.42 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.70 3gbh h ASN 26 CO 0.01 0.01 0.24 -0.47 -1.65 0.00 0.00 177.43 175.57 3gbh s TYR 27 N -3.29 3.33 -0.07 1.19 6.14 -0.94 -5.04 117.35 118.66 3gbh s TYR 27 Ca 0.03 0.97 0.03 0.00 0.64 0.00 0.00 57.07 58.74 3gbh s TYR 27 Cb 0.08 -2.89 -0.02 0.00 0.42 0.00 0.00 41.96 39.55 3gbh s TYR 27 CO 0.74 -0.28 -0.17 0.15 0.64 0.00 0.00 175.55 176.62 3gbh s LYS 28 N 2.35 2.76 -0.10 4.97 -0.14 -1.26 -4.38 119.74 123.93 3gbh s LYS 28 Ca 0.30 -0.76 -0.30 0.00 -1.36 0.00 0.00 55.97 53.86 3gbh s LYS 28 Cb -0.16 -2.38 -0.03 0.00 -1.68 0.00 0.00 37.83 33.59 3gbh s LYS 28 CO 0.09 0.44 1.25 0.42 -0.76 0.00 0.00 175.35 176.79 3gbh s ILE 29 N -0.27 4.22 0.51 2.17 1.01 -1.26 -4.98 121.20 122.59 3gbh s ILE 29 Ca 0.01 1.52 -0.22 0.00 0.00 0.00 0.00 60.65 61.96 3gbh s ILE 29 Cb -0.13 -3.98 -0.07 0.00 0.01 0.00 0.00 42.46 38.29 3gbh s ILE 29 CO 0.03 -0.06 1.12 -2.65 0.00 0.00 0.00 174.94 173.38 3gbh n PRO 30 N 5.83 1.40 -0.31 2.79 -0.02 -1.26 -4.89 135.00 138.54 3gbh n PRO 30 Ca 0.12 0.51 -0.02 0.00 -2.02 0.00 0.00 63.50 62.09 3gbh n PRO 30 Cb 0.45 -2.27 0.10 0.00 -0.02 0.00 0.00 33.50 31.77 3gbh n PRO 30 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3gbh h ARG 31 N 1.29 1.07 -0.94 -0.52 2.43 -2.06 -1.39 114.38 114.26 3gbh h ARG 31 Ca -0.48 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 58.72 3gbh h ARG 31 Cb 1.33 -0.24 -0.07 0.00 -0.42 0.00 0.00 29.97 30.57 3gbh h ARG 31 CO 0.56 0.70 0.61 0.93 -1.51 0.00 0.00 179.97 181.26 3gbh h GLU 32 N 1.10 0.95 -1.43 0.20 5.08 -2.04 -0.69 114.58 117.76 3gbh h GLU 32 Ca 0.33 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3gbh h GLU 32 Cb -0.05 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 28.99 3gbh h GLU 32 CO -0.10 0.63 0.00 -1.91 -1.00 0.00 0.00 179.01 176.63 3gbh n GLU 33 N -4.54 0.77 0.00 2.33 2.13 -0.53 -1.58 120.64 119.22 3gbh n GLU 33 Ca 0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.98 3gbh n GLU 33 Cb 0.28 -1.11 0.00 0.00 0.27 0.00 0.00 31.44 30.88 3gbh n GLU 33 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3gbh n ASP 35 N 0.87 0.00 -0.21 4.31 8.00 -0.27 -1.48 116.55 127.77 3gbh n ASP 35 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 3gbh n ASP 35 Cb 0.39 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.58 3gbh n ASP 35 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3gbh h GLU 36 N 0.00 0.59 -0.30 -1.24 4.81 -1.55 0.13 114.58 117.02 3gbh h GLU 36 Ca 0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3gbh h GLU 36 Cb 0.00 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 3gbh h GLU 36 CO 0.00 0.39 0.14 0.82 -0.73 0.00 0.00 179.01 179.63 3gbh h ILE 37 N 0.60 1.16 -0.54 2.32 2.04 -1.55 -1.49 117.51 120.06 3gbh h ILE 37 Ca 0.28 -0.47 -0.09 0.00 1.00 0.00 0.00 64.86 65.59 3gbh h ILE 37 Cb 0.21 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3gbh h ILE 37 CO -0.19 0.17 -0.03 0.40 0.00 0.00 0.00 178.15 178.49 3gbh h ILE 38 N 0.34 1.26 -0.33 -0.67 2.04 -1.79 0.50 117.51 118.86 3gbh h ILE 38 Ca 0.10 -1.13 0.01 0.00 1.00 0.00 0.00 64.86 64.84 3gbh h ILE 38 Cb 0.13 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3gbh h ILE 38 CO -0.01 0.40 0.19 0.74 0.00 0.00 0.00 178.15 179.47 3gbh h THR 39 N 0.86 1.03 -0.55 -0.27 2.02 -0.60 -0.77 112.91 114.63 3gbh h THR 39 Ca 0.15 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 67.10 3gbh h THR 39 Cb 0.55 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3gbh h THR 39 CO 0.03 0.07 -0.05 0.11 0.37 0.00 0.00 175.52 176.05 3gbh h LYS 40 N 0.39 1.01 -0.67 6.66 1.57 -1.00 -3.14 116.57 121.40 3gbh h LYS 40 Ca 0.13 -0.35 0.05 0.00 -1.87 0.00 0.00 60.65 58.62 3gbh h LYS 40 Cb 0.00 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.18 3gbh h LYS 40 CO -0.06 1.03 0.38 0.00 -0.57 0.00 0.00 179.45 180.23 3gbh h ALA 41 N 0.95 0.90 0.00 3.86 0.00 -0.51 -2.61 119.26 121.84 3gbh h ALA 41 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3gbh h ALA 41 Cb 0.61 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3gbh h ALA 41 CO 0.04 0.07 0.00 0.25 0.00 0.00 0.00 179.25 179.61 3gbh n THR 42 N -4.77 0.02 0.79 0.00 -2.24 -0.33 -1.91 114.28 105.84 3gbh n THR 42 Ca 0.08 0.01 0.08 0.00 -2.27 0.00 0.00 64.05 61.95 3gbh n THR 42 Cb 0.16 -0.63 0.42 0.00 -2.10 0.00 0.00 70.33 68.18 3gbh n THR 42 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3gbh n LYS 43 N -1.02 0.23 -1.31 -0.78 5.02 -0.98 -4.84 118.16 114.48 3gbh n LYS 43 Ca 0.17 0.13 -0.35 0.00 -2.02 0.00 0.00 58.31 56.24 3gbh n LYS 43 Cb 0.09 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.69 3gbh n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gbh n ALA 44 N -1.29 -0.39 -1.80 7.82 0.00 -0.80 -4.99 120.51 119.04 3gbh n ALA 44 Ca 0.08 -0.22 -0.32 0.00 0.00 0.00 0.00 53.44 52.98 3gbh n ALA 44 Cb 0.14 -2.10 -0.02 0.00 0.00 0.00 0.00 19.45 17.47 3gbh n ALA 44 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3gbh s PRO 45 N -3.36 3.80 0.02 0.00 0.04 -1.26 -5.05 135.00 129.18 3gbh s PRO 45 Ca 0.72 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.66 3gbh s PRO 45 Cb -0.34 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.10 3gbh s PRO 45 CO 0.51 -0.40 0.23 -1.54 0.04 0.00 0.00 177.00 175.84 3gbh s SER 46 N -3.04 -0.06 0.12 6.66 1.04 -1.26 -4.91 113.70 112.26 3gbh s SER 46 Ca 0.60 -0.17 -0.35 0.00 0.48 0.00 0.00 55.95 56.50 3gbh s SER 46 Cb -0.11 0.28 -0.15 0.00 0.10 0.00 0.00 66.02 66.14 3gbh s SER 46 CO 0.33 -0.49 1.45 -0.24 0.98 0.00 0.00 173.24 175.27 3gbh n SER 47 N 1.03 2.33 -2.78 7.02 2.88 -1.26 -0.64 113.62 122.19 3gbh n SER 47 Ca -0.21 1.10 -0.07 0.00 -1.33 0.00 0.00 58.87 58.37 3gbh n SER 47 Cb 0.57 -1.30 -0.01 0.00 -0.75 0.00 0.00 64.21 62.72 3gbh n SER 47 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3gbh n VAL 48 N 2.93 -0.07 -2.86 2.46 0.24 -1.26 -4.48 118.33 115.29 3gbh n VAL 48 Ca 0.18 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.46 3gbh n VAL 48 Cb 0.24 -0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 32.35 3gbh n VAL 48 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3gbh n ASN 49 N -1.67 -6.10 0.00 -1.34 5.15 0.18 -5.10 115.26 106.38 3gbh n ASN 49 Ca 0.00 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.09 3gbh n ASN 49 Cb 0.50 -3.93 0.00 0.00 -0.53 0.00 0.00 39.78 35.83 3gbh n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gbh n GLN 51 N 1.27 0.00 0.00 1.20 6.02 -1.26 -4.97 117.38 119.64 3gbh n GLN 51 Ca -0.09 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.04 3gbh n GLN 51 Cb 0.26 0.00 0.82 0.00 1.02 0.00 0.00 30.24 32.34 3gbh n GLN 51 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3gbh n PRO 52 N 0.00 0.90 -2.70 -1.09 -0.04 -1.26 -4.89 135.00 125.93 3gbh n PRO 52 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 3gbh n PRO 52 Cb 0.00 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 31.92 3gbh n PRO 52 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3gbh s TRP 53 N -2.00 3.74 -0.03 0.54 -2.14 -1.26 -0.46 118.94 117.33 3gbh s TRP 53 Ca 0.41 1.81 -0.00 0.00 2.66 0.00 0.00 56.10 60.98 3gbh s TRP 53 Cb 0.19 -3.02 0.03 0.00 -3.10 0.00 0.00 33.47 27.56 3gbh s TRP 53 CO 0.32 0.10 0.02 1.03 -2.66 0.00 0.00 176.95 175.76 3gbh s ARG 54 N -1.68 0.13 -0.24 3.25 1.81 0.85 -4.91 118.95 118.16 3gbh s ARG 54 Ca 0.47 0.17 -0.01 0.00 -1.72 0.00 0.00 55.73 54.64 3gbh s ARG 54 Cb -0.24 -0.43 0.03 0.00 -0.45 0.00 0.00 34.95 33.86 3gbh s ARG 54 CO 0.30 -0.19 -0.09 0.42 -0.68 0.00 0.00 175.30 175.06 3gbh s ILE 55 N 1.28 2.70 -0.39 1.52 1.01 -1.26 -0.62 121.20 125.44 3gbh s ILE 55 Ca -0.06 -1.05 -0.25 0.00 0.00 0.00 0.00 60.65 59.29 3gbh s ILE 55 Cb -0.13 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 40.01 3gbh s ILE 55 CO -0.03 0.24 0.90 0.00 0.00 0.00 0.00 174.94 176.06 3gbh s ALA 56 N 1.30 3.37 -0.81 9.38 0.00 -0.44 -4.95 121.76 129.62 3gbh s ALA 56 Ca 0.00 -0.56 -0.18 0.00 0.00 0.00 0.00 51.96 51.22 3gbh s ALA 56 Cb -0.16 -3.53 0.14 0.00 0.00 0.00 0.00 23.12 19.56 3gbh s ALA 56 CO -0.06 -1.69 0.95 0.08 0.00 0.00 0.00 175.76 175.03 3gbh s VAL 57 N 3.48 4.88 -0.64 0.00 1.01 -1.26 -0.76 120.40 127.11 3gbh s VAL 57 Ca 0.37 -1.50 -0.25 0.00 0.00 0.00 0.00 61.98 60.60 3gbh s VAL 57 Cb -0.12 -4.64 0.05 0.00 0.00 0.00 0.00 36.38 31.67 3gbh s VAL 57 CO 0.20 -1.32 1.06 -0.69 0.00 0.00 0.00 175.10 174.35 3gbh s VAL 58 N 2.33 4.16 0.00 2.92 1.01 -1.26 -4.77 120.40 124.78 3gbh s VAL 58 Ca 0.24 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.35 3gbh s VAL 58 Cb -0.11 -4.71 0.00 0.00 0.00 0.00 0.00 36.38 31.56 3gbh s VAL 58 CO -0.04 -1.46 0.00 0.00 0.00 0.00 0.00 175.10 173.61 3gbh n GLN 59 N 8.13 3.39 -2.30 2.72 10.64 -1.26 -4.46 117.38 134.24 3gbh n GLN 59 Ca 0.01 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.83 3gbh n GLN 59 Cb 0.47 -0.97 -0.00 0.00 -0.86 0.00 0.00 30.24 28.88 3gbh n GLN 59 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 3gbh s SER 60 N -2.99 5.82 0.23 2.61 1.04 -1.26 -4.87 113.70 114.27 3gbh s SER 60 Ca 0.00 2.15 -0.06 0.00 0.48 0.00 0.00 55.95 58.52 3gbh s SER 60 Cb 0.00 -2.58 0.31 0.00 0.10 0.00 0.00 66.02 63.85 3gbh s SER 60 CO 0.00 -1.15 1.83 0.44 0.98 0.00 0.00 173.24 175.34 3gbh h ASP 61 N 1.28 0.73 0.00 7.02 3.32 -2.01 0.01 116.42 126.76 3gbh h ASP 61 Ca -0.50 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3gbh h ASP 61 Cb 1.26 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3gbh h ASP 61 CO 0.57 0.46 0.00 -0.62 -1.72 0.00 0.00 179.24 177.93 3gbh n GLU 62 N -4.69 0.16 0.00 3.56 1.02 -1.26 -0.86 120.64 118.57 3gbh n GLU 62 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3gbh n GLU 62 Cb 0.19 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 3gbh n GLU 62 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3gbh n LYS 64 N 0.02 0.00 -0.34 3.49 5.02 -0.01 -1.92 118.16 124.42 3gbh n LYS 64 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 3gbh n LYS 64 Cb 0.02 0.00 0.18 0.00 -0.02 0.00 0.00 35.03 35.22 3gbh n LYS 64 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3gbh h GLU 65 N 0.00 0.98 -0.62 1.97 4.57 -1.24 -1.83 114.58 118.41 3gbh h GLU 65 Ca 0.00 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.03 3gbh h GLU 65 Cb 0.00 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.35 3gbh h GLU 65 CO 0.00 0.65 0.03 0.87 -1.18 0.00 0.00 179.01 179.38 3gbh h LYS 66 N 1.01 1.08 -0.01 1.92 1.57 -1.64 -3.11 116.57 117.39 3gbh h LYS 66 Ca 0.43 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3gbh h LYS 66 Cb 0.30 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3gbh h LYS 66 CO -0.21 1.03 -0.12 1.33 -0.57 0.00 0.00 179.45 180.91 3gbh n VAL 67 N -4.20 0.00 -0.10 0.50 0.24 -1.03 -4.50 118.33 109.25 3gbh n VAL 67 Ca 0.03 -0.16 -0.07 0.00 -2.04 0.00 0.00 64.34 62.11 3gbh n VAL 67 Cb 0.33 0.31 0.01 0.00 -1.47 0.00 0.00 33.84 33.02 3gbh n VAL 67 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3gbh h LYS 68 N 1.48 0.26 -0.29 7.34 3.64 -1.27 -1.05 116.57 126.69 3gbh h LYS 68 Ca 0.00 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 3gbh h LYS 68 Cb 0.45 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3gbh h LYS 68 CO 0.00 0.17 0.01 1.49 -2.27 0.00 0.00 179.45 178.85 3gbh h GLU 69 N 0.27 0.44 0.00 1.90 4.81 -1.81 -2.29 114.58 117.90 3gbh h GLU 69 Ca 0.15 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3gbh h GLU 69 Cb 0.11 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3gbh h GLU 69 CO -0.15 0.46 -0.15 0.77 -0.73 0.00 0.00 179.01 179.21 3gbh h SER 70 N 0.42 0.00 0.21 1.04 0.02 -1.50 -2.37 113.55 111.37 3gbh h SER 70 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3gbh h SER 70 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3gbh h SER 70 CO 0.01 0.15 -0.18 0.49 -1.14 0.00 0.00 176.83 176.15 3gbh n PHE 71 N -3.65 0.00 0.00 3.45 3.01 -0.87 -0.97 117.46 118.43 3gbh n PHE 71 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 3gbh n PHE 71 Cb 0.27 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.63 3gbh n PHE 71 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gbh n GLY 72 N 1.30 2.99 0.00 1.37 0.00 -0.90 -0.53 105.19 109.42 3gbh n GLY 72 Ca 0.14 0.27 0.13 0.00 0.00 0.00 0.00 46.02 46.56 3gbh n GLY 72 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gbh n PHE 73 N 13.66 0.00 0.02 1.61 3.72 -1.26 -3.27 117.46 131.94 3gbh n PHE 73 Ca 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.33 3gbh n PHE 73 Cb 0.00 -0.35 0.04 0.00 -0.94 0.00 0.00 39.48 38.23 3gbh n PHE 73 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3gbh n ASN 74 N -1.35 4.16 0.02 4.37 3.02 0.31 -4.42 115.26 121.37 3gbh n ASN 74 Ca 0.11 -2.55 -0.02 0.00 -0.03 0.00 0.00 54.58 52.09 3gbh n ASN 74 Cb 0.24 -0.76 0.23 0.00 -0.61 0.00 0.00 39.78 38.88 3gbh n ASN 74 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3gbh h SER 75 N 0.61 0.45 -0.34 6.41 4.64 -1.72 -2.19 113.55 121.40 3gbh h SER 75 Ca 0.17 -0.14 0.04 0.00 -0.47 0.00 0.00 61.79 61.39 3gbh h SER 75 Cb 1.31 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 3gbh h SER 75 CO 0.34 0.67 0.12 0.03 -0.87 0.00 0.00 176.83 177.12 3gbh h ARG 76 N 0.41 0.26 -0.15 4.77 2.47 -1.88 -1.29 114.38 118.98 3gbh h ARG 76 Ca 0.07 -0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.72 3gbh h ARG 76 Cb 0.59 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.85 3gbh h ARG 76 CO 0.04 0.17 -0.12 1.96 0.56 0.00 0.00 179.97 182.58 3gbh h GLN 77 N 0.27 0.34 -0.07 0.04 7.50 -1.55 -1.36 115.11 120.28 3gbh h GLN 77 Ca 0.15 -0.17 0.02 0.00 0.50 0.00 0.00 58.65 59.15 3gbh h GLN 77 Cb 0.12 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.64 3gbh h GLN 77 CO -0.16 0.71 -0.02 1.25 -1.50 0.00 0.00 178.83 179.11 3gbh h LEU 78 N -0.01 -0.09 0.24 1.46 5.85 -1.35 -1.64 115.31 119.78 3gbh h LEU 78 Ca 0.03 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3gbh h LEU 78 Cb 0.63 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3gbh h LEU 78 CO 0.03 -0.03 -0.12 0.74 -0.34 0.00 0.00 178.44 178.72 3gbh h THR 79 N -0.01 0.79 0.00 1.05 2.02 -1.24 -3.32 112.91 112.20 3gbh h THR 79 Ca 0.04 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 3gbh h THR 79 Cb 0.07 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 3gbh h THR 79 CO -0.08 0.03 -0.54 0.71 0.37 0.00 0.00 175.52 176.00 3gbh h THR 80 N -0.39 0.55 -3.84 3.16 1.35 -1.21 -3.47 112.91 109.05 3gbh h THR 80 Ca -0.03 -1.81 -0.56 0.00 -0.55 0.00 0.00 66.41 63.46 3gbh h THR 80 Cb 0.29 2.20 0.14 0.00 -1.73 0.00 0.00 68.15 69.06 3gbh h THR 80 CO 0.05 0.31 0.51 -1.54 -0.25 0.00 0.00 175.52 174.61 3gbh n SER 81 N -3.11 2.39 -0.32 5.36 3.41 -0.62 -3.81 113.62 116.92 3gbh n SER 81 Ca 0.01 0.99 -0.04 0.00 -0.26 0.00 0.00 58.87 59.57 3gbh n SER 81 Cb 0.69 -1.53 0.10 0.00 -0.26 0.00 0.00 64.21 63.20 3gbh n SER 81 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3gbh h SER 82 N 1.46 1.11 0.00 4.04 0.02 -1.35 -3.49 113.55 115.34 3gbh h SER 82 Ca -0.50 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 3gbh h SER 82 Cb 1.31 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.57 3gbh h SER 82 CO 0.57 0.89 0.00 0.00 -1.14 0.00 0.00 176.83 177.15 3gbh n ALA 83 N -2.41 0.00 -3.63 3.77 0.00 -1.01 -4.72 120.51 112.51 3gbh n ALA 83 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.51 3gbh n ALA 83 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.50 3gbh n ALA 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gbh s LEU 85 N 0.00 -1.05 -0.26 0.00 1.43 0.46 -1.63 118.68 117.63 3gbh s LEU 85 Ca 0.00 1.49 -0.05 0.00 -1.03 0.00 0.00 54.13 54.55 3gbh s LEU 85 Cb 0.00 2.27 0.01 0.00 0.03 0.00 0.00 46.19 48.50 3gbh s LEU 85 CO 0.00 -0.22 0.01 -0.63 0.23 0.00 0.00 176.35 175.74 3gbh s ILE 86 N 2.52 3.54 -0.28 -0.59 1.01 0.06 0.36 121.20 127.82 3gbh s ILE 86 Ca -0.07 -0.69 -0.12 0.00 0.00 0.00 0.00 60.65 59.77 3gbh s ILE 86 Cb -0.10 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 3gbh s ILE 86 CO -0.19 0.22 0.22 -0.63 0.00 0.00 0.00 174.94 174.56 3gbh s ILE 87 N 1.46 5.29 0.17 2.92 1.01 0.44 -1.33 121.20 131.15 3gbh s ILE 87 Ca 0.03 0.23 0.06 0.00 0.00 0.00 0.00 60.65 60.98 3gbh s ILE 87 Cb -0.16 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 3gbh s ILE 87 CO -0.01 0.24 0.07 -0.36 0.00 0.00 0.00 174.94 174.88 3gbh s PHE 88 N 1.78 3.01 -0.16 3.97 0.40 0.21 -0.68 117.98 126.52 3gbh s PHE 88 Ca 0.08 -0.07 -0.04 0.00 -0.60 0.00 0.00 56.93 56.30 3gbh s PHE 88 Cb -0.16 -1.45 -0.03 0.00 0.51 0.00 0.00 43.02 41.89 3gbh s PHE 88 CO 0.11 0.52 -0.03 0.20 0.70 0.00 0.00 175.22 176.72 3gbh s GLY 89 N -3.01 1.74 -0.49 4.36 0.00 0.17 -0.10 107.32 109.99 3gbh s GLY 89 Ca 0.29 -0.81 -0.25 0.00 0.00 0.00 0.00 44.72 43.95 3gbh s GLY 89 CO 0.21 -0.06 0.93 -0.35 0.00 0.00 0.00 173.10 173.83 3gbh s ASP 90 N 0.35 6.45 0.23 1.64 2.15 0.39 -1.43 116.67 126.46 3gbh s ASP 90 Ca -0.04 -0.02 0.22 0.00 0.43 0.00 0.00 52.55 53.15 3gbh s ASP 90 Cb -0.14 -2.45 0.94 0.00 -0.30 0.00 0.00 42.92 40.97 3gbh s ASP 90 CO 0.03 -1.10 1.67 0.18 -0.17 0.00 0.00 175.17 175.78 3gbh n LEU 91 N 7.25 0.57 -1.82 -1.34 4.77 0.03 -1.88 117.00 124.58 3gbh n LEU 91 Ca 0.05 0.65 -0.20 0.00 -0.03 0.00 0.00 56.01 56.47 3gbh n LEU 91 Cb 0.48 -0.58 0.08 0.00 -2.33 0.00 0.00 43.42 41.07 3gbh n LEU 91 CO 0.64 -0.55 0.55 0.00 -1.33 0.00 0.00 177.39 176.71 3gbh n GLN 92 N -2.14 2.94 -0.11 3.23 6.02 -1.26 -4.82 117.38 121.23 3gbh n GLN 92 Ca 0.02 -3.74 0.26 0.00 -0.01 0.00 0.00 57.00 53.53 3gbh n GLN 92 Cb 0.21 -2.15 0.72 0.00 1.02 0.00 0.00 30.24 30.04 3gbh n GLN 92 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 177.06 173.10 3gbh h ASN 93 N 1.83 0.00 0.53 1.08 7.08 -1.75 -1.76 115.58 122.59 3gbh h ASN 93 Ca 0.37 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.59 3gbh h ASN 93 Cb 1.39 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.63 3gbh h ASN 93 CO 0.81 0.00 0.00 0.10 -2.08 0.00 0.00 177.43 176.26 3gbh h TYR 94 N 0.00 0.00 0.00 4.14 -0.00 -1.87 -1.78 116.97 117.46 3gbh h TYR 94 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.10 3gbh h TYR 94 Cb 1.57 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.30 3gbh h TYR 94 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 178.16 179.09 3gbh h GLU 95 N 0.00 0.00 -0.61 0.10 4.39 -1.73 -0.38 114.58 116.34 3gbh h GLU 95 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3gbh h GLU 95 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3gbh h GLU 95 CO 0.00 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.48 3gbh n LYS 96 N -2.66 2.53 -0.20 2.33 5.02 -0.67 -4.59 118.16 119.92 3gbh n LYS 96 Ca -0.01 -2.36 -0.06 0.00 -2.02 0.00 0.00 58.31 53.86 3gbh n LYS 96 Cb 0.11 -1.52 0.04 0.00 -0.02 0.00 0.00 35.03 33.64 3gbh n LYS 96 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gbh h ALA 97 N 4.28 0.73 -0.46 7.82 0.00 -1.22 -0.12 119.26 130.30 3gbh h ALA 97 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3gbh h ALA 97 Cb 0.90 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3gbh h ALA 97 CO 0.00 0.14 0.11 0.93 0.00 0.00 0.00 179.25 180.44 3gbh h GLU 98 N 0.76 0.73 0.21 0.00 4.39 -1.81 -1.38 114.58 117.48 3gbh h GLU 98 Ca 0.21 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.74 3gbh h GLU 98 Cb -0.07 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 3gbh h GLU 98 CO -0.06 0.73 -0.25 0.37 -1.16 0.00 0.00 179.01 178.65 3gbh h GLN 99 N 0.61 -0.49 0.48 2.33 4.15 -1.80 0.29 115.11 120.68 3gbh h GLN 99 Ca 0.14 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 3gbh h GLN 99 Cb 0.32 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.13 3gbh h GLN 99 CO 0.00 -0.32 -0.23 0.82 -1.93 0.00 0.00 178.83 177.17 3gbh h ILE 100 N -0.51 0.53 -0.11 2.39 2.04 -0.89 -0.68 117.51 120.29 3gbh h ILE 100 Ca 0.00 -0.06 -0.13 0.00 1.00 0.00 0.00 64.86 65.67 3gbh h ILE 100 Cb 0.48 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3gbh h ILE 100 CO -0.08 0.01 -0.52 1.88 0.00 0.00 0.00 178.15 179.45 3gbh h TYR 101 N -0.67 0.36 -0.53 1.37 -1.99 -1.31 -2.30 116.97 111.89 3gbh h TYR 101 Ca -0.07 -0.12 0.07 0.00 2.00 0.00 0.00 58.73 60.61 3gbh h TYR 101 Cb 0.51 -0.07 -0.06 0.00 2.00 0.00 0.00 36.73 39.11 3gbh h TYR 101 CO -0.03 0.75 0.21 0.78 -0.00 0.00 0.00 178.16 179.87 3gbh h GLY 102 N 1.32 0.72 1.32 3.88 0.00 -0.35 -2.20 103.07 107.76 3gbh h GLY 102 Ca 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3gbh h GLY 102 CO 0.08 0.04 0.38 -0.55 0.00 0.00 0.00 176.54 176.49 3gbh h ASP 103 N 0.41 0.80 -0.69 0.19 3.32 -0.59 -0.87 116.42 119.00 3gbh h ASP 103 Ca 0.25 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 3gbh h ASP 103 Cb 0.24 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3gbh h ASP 103 CO -0.23 0.63 0.30 0.00 -1.72 0.00 0.00 179.24 178.22 3gbh h ALA 104 N 1.51 1.20 -0.27 3.45 0.00 -1.11 0.12 119.26 124.16 3gbh h ALA 104 Ca 0.24 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3gbh h ALA 104 Cb -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3gbh h ALA 104 CO -0.04 0.59 -0.09 0.28 0.00 0.00 0.00 179.25 179.99 3gbh h VAL 105 N 1.02 1.29 -0.52 0.00 2.07 -0.80 0.70 116.25 120.00 3gbh h VAL 105 Ca 0.24 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.62 3gbh h VAL 105 Cb 0.16 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3gbh h VAL 105 CO -0.02 0.36 0.35 -0.33 0.02 0.00 0.00 177.57 177.94 3gbh h GLU 106 N 0.27 0.69 -0.55 1.57 5.08 -0.83 -2.06 114.58 118.75 3gbh h GLU 106 Ca 0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3gbh h GLU 106 Cb 0.58 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3gbh h GLU 106 CO 0.03 0.46 0.00 1.04 -1.00 0.00 0.00 179.01 179.54 3gbh n GLN 107 N -4.46 2.36 -2.57 2.33 6.02 0.40 -4.93 117.38 116.53 3gbh n GLN 107 Ca 0.05 -1.95 -0.18 0.00 -0.01 0.00 0.00 57.00 54.91 3gbh n GLN 107 Cb 0.05 -1.47 0.01 0.00 1.02 0.00 0.00 30.24 29.85 3gbh n GLN 107 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3gbh n GLN 108 N 1.02 -2.55 -0.12 -1.09 6.02 -0.78 -5.02 117.38 114.86 3gbh n GLN 108 Ca 0.18 0.81 0.11 0.00 -0.01 0.00 0.00 57.00 58.09 3gbh n GLN 108 Cb 0.49 -5.30 0.30 0.00 1.02 0.00 0.00 30.24 26.75 3gbh n GLN 108 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3gbh n LEU 109 N -2.88 2.41 -4.78 1.08 4.77 0.20 -5.03 117.00 112.78 3gbh n LEU 109 Ca -0.16 -1.02 -0.22 0.00 -0.03 0.00 0.00 56.01 54.58 3gbh n LEU 109 Cb 0.63 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 3gbh n LEU 109 CO 0.31 0.51 -0.20 0.42 -1.33 0.00 0.00 177.39 177.10 3gbh s THR 111 N -1.68 3.93 0.30 -5.08 -4.23 -1.26 -5.00 115.64 102.62 3gbh s THR 111 Ca 0.34 -1.55 -0.01 0.00 -1.18 0.00 0.00 61.69 59.29 3gbh s THR 111 Cb 0.19 -3.19 0.27 0.00 1.34 0.00 0.00 72.50 71.11 3gbh s THR 111 CO 0.28 -0.31 1.94 -0.08 -0.54 0.00 0.00 174.62 175.90 3gbh h GLU 112 N 1.56 1.06 -0.33 3.99 4.57 -1.97 -1.16 114.58 122.30 3gbh h GLU 112 Ca -0.46 -0.06 0.07 0.00 -1.18 0.00 0.00 59.36 57.72 3gbh h GLU 112 Cb 1.24 -0.24 -0.07 0.00 -0.16 0.00 0.00 28.75 29.53 3gbh h GLU 112 CO 0.60 0.70 -0.10 -0.44 -1.18 0.00 0.00 179.01 178.60 3gbh h ASP 113 N 1.10 -0.36 -0.45 1.04 5.19 -2.04 -0.81 116.42 120.08 3gbh h ASP 113 Ca 0.35 0.11 -0.12 0.00 -0.62 0.00 0.00 57.03 56.75 3gbh h ASP 113 Cb 0.04 0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 3gbh h ASP 113 CO -0.11 -0.13 -0.18 0.40 -3.12 0.00 0.00 179.24 176.10 3gbh h ILE 114 N -0.03 1.27 -0.65 0.35 1.08 -1.90 -2.09 117.51 115.54 3gbh h ILE 114 Ca 0.16 -1.33 0.10 0.00 -0.39 0.00 0.00 64.86 63.40 3gbh h ILE 114 Cb 0.27 1.09 -0.07 0.00 -3.07 0.00 0.00 36.82 35.04 3gbh h ILE 114 CO -0.35 0.46 0.28 0.50 -0.69 0.00 0.00 178.15 178.34 3gbh h LYS 115 N 0.83 0.46 -0.50 2.37 3.64 -0.80 -0.74 116.57 121.84 3gbh h LYS 115 Ca 0.12 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 3gbh h LYS 115 Cb 0.74 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 3gbh h LYS 115 CO 0.06 0.31 -0.12 0.00 -2.27 0.00 0.00 179.45 177.42 3gbh h ALA 116 N 1.43 0.84 -0.26 5.00 0.00 -0.90 -1.04 119.26 124.32 3gbh h ALA 116 Ca 0.33 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3gbh h ALA 116 Cb 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3gbh h ALA 116 CO -0.30 0.65 0.01 1.96 0.00 0.00 0.00 179.25 181.57 3gbh h GLN 117 N 0.83 0.46 0.58 0.00 4.20 -0.96 -1.14 115.11 119.08 3gbh h GLN 117 Ca 0.13 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3gbh h GLN 117 Cb 0.66 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.41 3gbh h GLN 117 CO 0.05 0.62 -0.28 -0.07 -0.67 0.00 0.00 178.83 178.48 3gbh h LEU 118 N 0.25 -0.66 -1.69 1.46 3.38 -1.10 -3.09 115.31 113.85 3gbh h LEU 118 Ca 0.08 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3gbh h LEU 118 Cb 0.41 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3gbh h LEU 118 CO 0.01 -0.47 -0.19 -0.07 0.09 0.00 0.00 178.44 177.81 3gbh h LEU 119 N -0.78 0.00 -1.87 1.67 3.38 -1.20 -0.35 115.31 116.17 3gbh h LEU 119 Ca -0.08 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3gbh h LEU 119 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3gbh h LEU 119 CO 0.13 0.19 0.10 0.44 0.09 0.00 0.00 178.44 179.39 3gbh h ASP 120 N 0.00 0.16 0.00 -0.43 3.32 -1.11 -1.49 116.42 116.86 3gbh h ASP 120 Ca -0.00 -0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 3gbh h ASP 120 Cb 0.41 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 39.85 3gbh h ASP 120 CO 0.02 0.11 -2.34 -2.67 -1.72 0.00 0.00 179.24 172.65 3gbh n TRP 121 N -4.51 0.00 -0.08 4.55 4.27 -0.79 -4.53 117.44 116.35 3gbh n TRP 121 Ca -0.00 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.47 3gbh n TRP 121 Cb 0.10 -0.96 -0.05 0.00 -1.36 0.00 0.00 31.31 29.04 3gbh n TRP 121 CO 0.00 0.00 0.00 0.82 -2.29 0.00 0.00 177.69 176.22 3gbh h ILE 122 N 0.00 1.30 0.18 -1.67 2.04 -0.97 -2.91 117.51 115.48 3gbh h ILE 122 Ca -0.53 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 63.76 3gbh h ILE 122 Cb 2.17 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 39.93 3gbh h ILE 122 CO 0.02 0.50 -0.09 -0.07 0.00 0.00 0.00 178.15 178.51 3gbh h LEU 123 N 0.45 -0.21 -1.37 1.44 3.38 -1.51 -0.63 115.31 116.85 3gbh h LEU 123 Ca 0.03 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3gbh h LEU 123 Cb 0.96 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 3gbh h LEU 123 CO 0.09 -0.00 0.43 -0.65 0.09 0.00 0.00 178.44 178.40 3gbh h PRO 124 N -0.40 0.83 0.69 1.13 0.11 -1.78 0.80 132.00 133.36 3gbh h PRO 124 Ca -0.02 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 3gbh h PRO 124 Cb 0.31 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 3gbh h PRO 124 CO 0.04 0.55 -0.43 -0.92 -0.21 0.00 0.00 178.00 177.03 3gbh h TYR 125 N 0.85 -1.15 -0.83 0.65 3.20 -1.29 -1.72 116.97 116.68 3gbh h TYR 125 Ca 0.25 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 3gbh h TYR 125 Cb -0.05 0.41 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 3gbh h TYR 125 CO -0.00 -0.65 0.43 1.88 -1.64 0.00 0.00 178.16 178.18 3gbh h TYR 126 N -1.06 1.16 0.00 -3.82 -1.99 -0.84 -2.86 116.97 107.56 3gbh h TYR 126 Ca -0.09 -0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.58 3gbh h TYR 126 Cb 0.85 -0.37 -0.00 0.00 2.00 0.00 0.00 36.73 39.22 3gbh h TYR 126 CO -0.11 0.82 -0.09 0.87 -0.00 0.00 0.00 178.16 179.65 3gbh h LYS 127 N 1.16 0.00 -0.01 4.88 1.57 -0.83 -2.94 116.57 120.40 3gbh h LYS 127 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3gbh h LYS 127 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3gbh h LYS 127 CO -0.04 0.09 -0.33 -1.71 -0.57 0.00 0.00 179.45 176.89 3gbh n ASN 128 N -3.24 0.85 -4.77 0.86 5.15 -0.65 -4.95 115.26 108.51 3gbh n ASN 128 Ca 0.00 -0.68 -0.39 0.00 -0.60 0.00 0.00 54.58 52.91 3gbh n ASN 128 Cb 0.35 0.17 -0.02 0.00 -0.53 0.00 0.00 39.78 39.75 3gbh n ASN 128 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3gbh s LEU 129 N -2.66 4.28 0.92 1.20 1.43 -1.11 -5.03 118.68 117.71 3gbh s LEU 129 Ca 0.20 2.44 -0.11 0.00 -1.03 0.00 0.00 54.13 55.63 3gbh s LEU 129 Cb 0.19 -3.89 0.15 0.00 0.03 0.00 0.00 46.19 42.66 3gbh s LEU 129 CO 0.58 -0.61 1.09 -0.94 0.23 0.00 0.00 176.35 176.70 3gbh s SER 130 N -0.93 3.17 0.16 2.29 1.04 -1.26 -4.93 113.70 113.23 3gbh s SER 130 Ca 0.54 1.58 -0.16 0.00 0.48 0.00 0.00 55.95 58.39 3gbh s SER 130 Cb -0.33 -2.24 0.05 0.00 0.10 0.00 0.00 66.02 63.60 3gbh s SER 130 CO 0.43 -2.84 1.79 -0.09 0.98 0.00 0.00 173.24 173.50 3gbh h ARG 131 N -1.69 0.43 -0.65 4.02 2.43 -2.00 -2.68 114.38 114.24 3gbh h ARG 131 Ca -0.50 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 58.59 3gbh h ARG 131 Cb 1.29 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 3gbh h ARG 131 CO 0.53 0.28 0.21 1.49 -1.51 0.00 0.00 179.97 180.96 3gbh h GLU 132 N 0.44 1.00 -0.88 0.20 4.81 -2.04 0.46 114.58 118.57 3gbh h GLU 132 Ca 0.17 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3gbh h GLU 132 Cb 0.05 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.28 3gbh h GLU 132 CO -0.10 0.88 0.00 0.41 -0.73 0.00 0.00 179.01 179.47 3gbh n GLY 133 N -0.73 0.23 2.01 1.92 0.00 -1.01 -1.11 105.19 106.50 3gbh n GLY 133 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3gbh n GLY 133 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gbh n LYS 135 N 0.65 0.00 -0.13 1.61 4.81 0.15 -2.22 118.16 123.02 3gbh n LYS 135 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 3gbh n LYS 135 Cb 0.05 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.11 3gbh n LYS 135 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3gbh h ASP 136 N 0.00 0.45 -0.21 3.14 3.32 -1.38 -0.88 116.42 120.86 3gbh h ASP 136 Ca 0.00 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.07 3gbh h ASP 136 Cb 0.00 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 3gbh h ASP 136 CO 0.00 0.32 0.05 0.40 -1.72 0.00 0.00 179.24 178.29 3gbh h ILE 137 N 0.54 0.92 0.00 0.35 2.04 -1.72 -1.98 117.51 117.66 3gbh h ILE 137 Ca 0.16 -0.05 -0.13 0.00 1.00 0.00 0.00 64.86 65.84 3gbh h ILE 137 Cb -0.03 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3gbh h ILE 137 CO -0.05 0.02 -0.63 -0.37 0.00 0.00 0.00 178.15 177.12 3gbh h VAL 138 N 0.14 1.35 -0.47 1.67 -1.51 -1.82 -1.16 116.25 114.45 3gbh h VAL 138 Ca 0.09 -2.24 -0.05 0.00 -1.23 0.00 0.00 66.70 63.27 3gbh h VAL 138 Cb 0.08 2.24 -0.02 0.00 -2.13 0.00 0.00 31.29 31.47 3gbh h VAL 138 CO -0.12 0.62 0.08 0.78 -1.23 0.00 0.00 177.57 177.70 3gbh h ASN 139 N 0.00 0.74 0.15 4.19 2.35 -0.98 -1.25 115.58 120.78 3gbh h ASN 139 Ca -0.01 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 3gbh h ASN 139 Cb 1.19 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.37 3gbh h ASN 139 CO 0.08 0.81 -0.07 0.40 -1.65 0.00 0.00 177.43 177.00 3gbh h ILE 140 N 0.64 0.99 -0.40 2.81 2.04 -1.15 -2.15 117.51 120.29 3gbh h ILE 140 Ca 0.14 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.33 3gbh h ILE 140 Cb 0.38 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3gbh h ILE 140 CO 0.01 0.16 0.26 0.44 0.00 0.00 0.00 178.15 179.02 3gbh h ASP 141 N -0.53 0.45 0.04 1.72 3.32 -1.23 -1.44 116.42 118.76 3gbh h ASP 141 Ca -0.02 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 3gbh h ASP 141 Cb 0.41 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3gbh h ASP 141 CO 0.03 0.32 -0.26 0.28 -1.72 0.00 0.00 179.24 177.90 3gbh h SER 142 N 0.53 0.35 -0.34 6.45 0.02 -1.23 -2.55 113.55 116.77 3gbh h SER 142 Ca 0.15 -0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 3gbh h SER 142 Cb -0.05 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3gbh h SER 142 CO -0.04 0.61 -0.33 0.28 -1.14 0.00 0.00 176.83 176.22 3gbh h SER 143 N 0.32 0.92 0.00 3.07 0.02 -1.01 -0.59 113.55 116.27 3gbh h SER 143 Ca 0.05 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3gbh h SER 143 Cb 0.63 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3gbh h SER 143 CO 0.05 1.16 0.00 0.18 -1.14 0.00 0.00 176.83 177.07 3gbh n LEU 144 N -4.07 0.00 -1.31 5.07 4.77 -0.57 -4.68 117.00 116.20 3gbh n LEU 144 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3gbh n LEU 144 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3gbh n LEU 144 CO 0.47 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.53 3gbh n ALA 146 N 0.26 -0.38 0.00 -1.18 0.00 -0.23 -4.73 120.51 114.25 3gbh n ALA 146 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3gbh n ALA 146 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.20 3gbh n ALA 146 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3gbh n GLN 148 N -1.20 0.00 0.00 0.00 7.27 -1.26 -4.69 117.38 117.50 3gbh n GLN 148 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3gbh n GLN 148 Cb 0.19 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.84 3gbh n GLN 148 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 3gbh n LEU 149 N 0.00 0.10 0.00 1.69 0.00 -1.26 -1.01 117.00 116.52 3gbh n LEU 149 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 56.01 55.96 3gbh n LEU 149 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 43.42 43.39 3gbh n LEU 149 CO 0.00 0.02 0.00 0.18 0.00 0.00 0.00 177.39 177.59 3gbh n LEU 151 N 0.58 0.00 -0.23 -1.96 4.77 -1.26 -0.74 117.00 118.16 3gbh n LEU 151 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3gbh n LEU 151 Cb 0.02 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.15 3gbh n LEU 151 CO 0.00 0.00 1.00 0.74 -1.33 0.00 0.00 177.39 177.80 3gbh h THR 152 N 0.00 1.24 -0.43 -5.08 2.02 -1.46 -0.86 112.91 108.34 3gbh h THR 152 Ca 0.00 -0.76 0.06 0.00 0.77 0.00 0.00 66.41 66.48 3gbh h THR 152 Cb 0.00 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 66.87 3gbh h THR 152 CO 0.00 0.30 0.12 0.00 0.37 0.00 0.00 175.52 176.31 3gbh h ALA 153 N 1.11 0.50 -0.61 6.16 0.00 -1.18 -1.06 119.26 124.18 3gbh h ALA 153 Ca 0.22 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3gbh h ALA 153 Cb 0.22 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3gbh h ALA 153 CO -0.02 -0.27 0.18 -0.22 0.00 0.00 0.00 179.25 178.92 3gbh h LYS 154 N 0.27 0.93 0.00 0.00 1.63 -1.50 -0.83 116.57 117.07 3gbh h LYS 154 Ca 0.21 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 3gbh h LYS 154 Cb 0.23 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.71 3gbh h LYS 154 CO -0.24 0.81 -0.10 0.00 -3.45 0.00 0.00 179.45 176.47 3gbh h ALA 155 N 1.30 1.71 -0.03 5.00 0.00 -0.55 -0.18 119.26 126.50 3gbh h ALA 155 Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gbh h ALA 155 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gbh h ALA 155 CO -0.01 0.12 0.00 0.72 0.00 0.00 0.00 179.25 180.08 3gbh n HIS 156 N -4.23 0.03 -0.44 0.00 8.25 -0.46 -0.96 115.22 117.41 3gbh n HIS 156 Ca -0.03 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 3gbh n HIS 156 Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 3gbh n HIS 156 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gbh n GLY 157 N 1.03 0.77 3.94 -1.41 0.00 -0.08 -4.64 105.19 104.80 3gbh n GLY 157 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 3gbh n GLY 157 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gbh s TYR 158 N -2.13 2.78 0.28 1.61 2.02 -0.41 -4.86 117.35 116.65 3gbh s TYR 158 Ca 0.00 -0.43 0.06 0.00 -0.37 0.00 0.00 57.07 56.33 3gbh s TYR 158 Cb 0.00 -2.24 -0.06 0.00 -0.40 0.00 0.00 41.96 39.26 3gbh s TYR 158 CO 0.00 -0.24 -0.04 -0.51 -1.57 0.00 0.00 175.55 173.19 3gbh s ASP 159 N -4.23 2.65 0.19 2.29 1.01 0.23 -3.54 116.67 115.28 3gbh s ASP 159 Ca 0.51 -1.21 -0.00 0.00 0.71 0.00 0.00 52.55 52.56 3gbh s ASP 159 Cb -0.07 -0.15 -0.04 0.00 1.01 0.00 0.00 42.92 43.67 3gbh s ASP 159 CO 0.30 -0.38 0.08 0.42 0.21 0.00 0.00 175.17 175.80 3gbh s THR 160 N -3.07 0.26 -0.13 -1.27 -4.23 -1.26 -2.07 115.64 103.87 3gbh s THR 160 Ca 0.30 -1.98 -0.04 0.00 -1.18 0.00 0.00 61.69 58.79 3gbh s THR 160 Cb 0.04 -2.37 0.06 0.00 1.34 0.00 0.00 72.50 71.58 3gbh s THR 160 CO 0.12 -0.18 0.20 0.21 -0.54 0.00 0.00 174.62 174.43 3gbh s ASN 161 N -3.17 0.84 0.26 3.99 3.04 -0.46 -1.62 114.94 117.83 3gbh s ASN 161 Ca 0.33 0.24 -0.29 0.00 0.04 0.00 0.00 52.86 53.17 3gbh s ASN 161 Cb 0.07 0.40 -0.09 0.00 -1.54 0.00 0.00 41.25 40.09 3gbh s ASN 161 CO 0.09 -0.27 0.98 -2.16 -3.04 0.00 0.00 177.10 172.71 3gbh s PRO 162 N 2.33 4.77 -0.05 0.43 0.04 -1.26 -1.12 135.00 140.14 3gbh s PRO 162 Ca 0.04 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 62.62 3gbh s PRO 162 Cb -0.13 -3.21 0.03 0.00 0.04 0.00 0.00 34.50 31.23 3gbh s PRO 162 CO -0.08 0.41 0.02 0.42 0.04 0.00 0.00 177.00 177.81 3gbh s ILE 163 N -1.22 0.16 -0.38 0.56 1.01 0.54 -4.97 121.20 116.90 3gbh s ILE 163 Ca 0.43 0.24 0.12 0.00 0.00 0.00 0.00 60.65 61.44 3gbh s ILE 163 Cb -0.27 -0.34 -0.15 0.00 0.01 0.00 0.00 42.46 41.70 3gbh s ILE 163 CO 0.34 0.21 0.43 0.61 0.00 0.00 0.00 174.94 176.53 3gbh n GLY 164 N 5.05 -0.28 2.50 6.18 0.00 -1.26 -1.50 105.19 115.87 3gbh n GLY 164 Ca -0.09 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 3gbh n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gbh n GLY 165 N 1.46 4.79 3.29 -0.02 0.00 -1.26 -4.87 105.19 108.58 3gbh n GLY 165 Ca 0.01 -1.85 -0.16 0.00 0.00 0.00 0.00 46.02 44.02 3gbh n GLY 165 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gbh s PHE 166 N 0.45 1.42 -0.99 1.61 -0.71 -1.26 -4.63 117.98 113.87 3gbh s PHE 166 Ca 0.57 -0.94 -0.24 0.00 -1.04 0.00 0.00 56.93 55.28 3gbh s PHE 166 Cb 0.17 -0.81 -0.03 0.00 -1.21 0.00 0.00 43.02 41.14 3gbh s PHE 166 CO -0.07 -0.09 1.83 0.34 -1.34 0.00 0.00 175.22 175.89 3gbh s ASP 167 N -3.25 5.52 0.49 1.98 -1.08 -0.15 -4.79 116.67 115.38 3gbh s ASP 167 Ca 0.26 -1.10 0.30 0.00 -0.52 0.00 0.00 52.55 51.49 3gbh s ASP 167 Cb 0.05 -2.57 1.10 0.00 -1.46 0.00 0.00 42.92 40.05 3gbh s ASP 167 CO 0.07 -2.44 1.87 0.11 0.52 0.00 0.00 175.17 175.30 3gbh h LYS 168 N 10.51 0.00 -0.25 4.34 1.57 -1.92 -2.10 116.57 128.72 3gbh h LYS 168 Ca 0.16 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.80 3gbh h LYS 168 Cb 0.99 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 3gbh h LYS 168 CO 1.27 0.00 -0.41 1.49 -0.57 0.00 0.00 179.45 181.24 3gbh h GLU 169 N 0.00 0.59 -0.00 3.15 4.81 -2.00 -3.36 114.58 117.77 3gbh h GLU 169 Ca 0.00 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3gbh h GLU 169 Cb 0.60 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3gbh h GLU 169 CO 0.00 0.90 -0.39 0.09 -0.73 0.00 0.00 179.01 178.87 3gbh n ASN 170 N -4.03 0.60 -0.25 1.04 3.02 -1.11 -4.76 115.26 109.77 3gbh n ASN 170 Ca -0.02 -0.80 -0.07 0.00 -0.03 0.00 0.00 54.58 53.66 3gbh n ASN 170 Cb 0.52 0.89 0.05 0.00 -0.61 0.00 0.00 39.78 40.63 3gbh n ASN 170 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3gbh h ILE 171 N 0.23 1.25 -0.21 2.41 6.09 -1.53 -1.60 117.51 124.15 3gbh h ILE 171 Ca 0.00 -0.79 0.04 0.00 -1.37 0.00 0.00 64.86 62.74 3gbh h ILE 171 Cb 0.25 0.46 -0.04 0.00 0.47 0.00 0.00 36.82 37.96 3gbh h ILE 171 CO 0.00 0.31 -0.08 0.00 -3.07 0.00 0.00 178.15 175.32 3gbh h ALA 172 N 1.12 0.10 -0.99 0.18 0.00 -1.86 -1.45 119.26 116.37 3gbh h ALA 172 Ca 0.23 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.23 3gbh h ALA 172 Cb 0.23 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3gbh h ALA 172 CO -0.02 -0.50 0.66 0.22 0.00 0.00 0.00 179.25 179.61 3gbh h ASP 173 N -0.04 1.14 -0.52 0.00 3.58 -1.55 0.10 116.42 119.13 3gbh h ASP 173 Ca 0.11 -0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.47 3gbh h ASP 173 Cb 0.20 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 3gbh h ASP 173 CO -0.24 0.82 0.11 0.40 -2.88 0.00 0.00 179.24 177.45 3gbh h ILE 174 N 1.34 1.24 0.00 2.25 2.04 -0.69 -2.95 117.51 120.75 3gbh h ILE 174 Ca 0.37 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.31 3gbh h ILE 174 Cb -0.15 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3gbh h ILE 174 CO -0.08 0.34 -0.41 0.40 0.00 0.00 0.00 178.15 178.39 3gbh h ILE 175 N 0.86 0.00 0.00 -0.67 2.04 -0.93 -3.48 117.51 115.33 3gbh h ILE 175 Ca 0.18 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3gbh h ILE 175 Cb 0.36 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 3gbh h ILE 175 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.77 3gbh n GLY 176 N 1.14 1.02 3.85 5.37 0.00 -0.40 -5.09 105.19 111.08 3gbh n GLY 176 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3gbh n GLY 176 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gbh s TYR 177 N -2.00 3.41 -0.25 1.61 2.02 0.22 -5.00 117.35 117.37 3gbh s TYR 177 Ca 0.00 0.24 -0.29 0.00 -0.37 0.00 0.00 57.07 56.65 3gbh s TYR 177 Cb 0.00 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.78 3gbh s TYR 177 CO 0.00 0.59 1.81 0.34 -1.57 0.00 0.00 175.55 176.72 3gbh s ASP 178 N -2.12 6.02 0.47 2.29 -1.08 -1.26 -3.74 116.67 117.24 3gbh s ASP 178 Ca 0.29 1.58 0.32 0.00 -0.52 0.00 0.00 52.55 54.22 3gbh s ASP 178 Cb -0.12 -2.53 1.50 0.00 -1.46 0.00 0.00 42.92 40.31 3gbh s ASP 178 CO 0.21 -1.56 1.96 0.77 0.52 0.00 0.00 175.17 177.06 3gbh h SER 179 N 12.36 0.00 0.04 -0.34 4.64 -1.88 -1.43 113.55 126.94 3gbh h SER 179 Ca -0.36 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.77 3gbh h SER 179 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3gbh h SER 179 CO 1.00 0.00 -0.68 0.44 -0.87 0.00 0.00 176.83 176.72 3gbh h ASP 180 N 0.00 0.69 0.13 4.97 3.32 -2.02 -3.37 116.42 120.14 3gbh h ASP 180 Ca 0.00 -0.42 -0.36 0.00 0.02 0.00 0.00 57.03 56.26 3gbh h ASP 180 Cb 0.26 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 3gbh h ASP 180 CO 0.00 1.18 -2.14 -1.14 -1.72 0.00 0.00 179.24 175.42 3gbh n ARG 181 N -3.91 0.70 -3.85 3.56 0.63 -0.96 -4.90 116.66 107.93 3gbh n ARG 181 Ca -0.05 0.20 -0.36 0.00 -0.92 0.00 0.00 57.85 56.73 3gbh n ARG 181 Cb 0.69 -1.65 -0.13 0.00 0.45 0.00 0.00 32.46 31.82 3gbh n ARG 181 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3gbh s TYR 182 N -2.55 3.24 -0.15 -0.14 2.02 -0.58 -0.79 117.35 118.40 3gbh s TYR 182 Ca -0.22 -1.65 -0.12 0.00 -0.37 0.00 0.00 57.07 54.71 3gbh s TYR 182 Cb 0.07 -2.17 -0.05 0.00 -0.40 0.00 0.00 41.96 39.42 3gbh s TYR 182 CO 0.74 -0.76 0.24 0.14 -1.57 0.00 0.00 175.55 174.33 3gbh s VAL 183 N 1.32 5.34 0.17 0.71 -7.23 -0.51 -4.57 120.40 115.62 3gbh s VAL 183 Ca -0.03 0.42 -0.31 0.00 -1.81 0.00 0.00 61.98 60.26 3gbh s VAL 183 Cb -0.19 -3.56 -0.08 0.00 0.56 0.00 0.00 36.38 33.10 3gbh s VAL 183 CO 0.00 0.46 1.35 -2.16 -0.31 0.00 0.00 175.10 174.44 3gbh s PRO 184 N 0.06 4.35 -0.11 4.82 0.04 -1.26 -0.65 135.00 142.26 3gbh s PRO 184 Ca 0.15 2.08 -0.11 0.00 0.04 0.00 0.00 61.00 63.15 3gbh s PRO 184 Cb -0.13 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 3gbh s PRO 184 CO 0.03 -0.34 -0.23 0.28 0.04 0.00 0.00 177.00 176.78 3gbh n VAL 185 N 3.15 1.32 -3.58 -0.36 0.31 0.15 -4.91 118.33 114.41 3gbh n VAL 185 Ca 0.08 0.12 -0.15 0.00 -0.01 0.00 0.00 64.34 64.39 3gbh n VAL 185 Cb 0.42 -2.02 -0.06 0.00 -0.91 0.00 0.00 33.84 31.28 3gbh n VAL 185 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3gbh s LEU 186 N -7.47 -0.15 0.09 7.52 2.96 -1.17 -4.97 118.68 115.49 3gbh s LEU 186 Ca -0.21 0.33 0.07 0.00 -0.22 0.00 0.00 54.13 54.10 3gbh s LEU 186 Cb 0.04 2.16 -0.04 0.00 0.50 0.00 0.00 46.19 48.85 3gbh s LEU 186 CO 0.29 -0.65 -0.10 0.00 -1.32 0.00 0.00 176.35 174.56 3gbh s ALA 187 N -1.92 2.93 -0.14 5.97 0.00 -0.56 -0.42 121.76 127.61 3gbh s ALA 187 Ca -0.08 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 50.65 3gbh s ALA 187 Cb -0.01 -0.90 0.04 0.00 0.00 0.00 0.00 23.12 22.24 3gbh s ALA 187 CO 0.03 0.63 -0.03 0.42 0.00 0.00 0.00 175.76 176.81 3gbh s ILE 188 N -1.17 0.84 0.22 0.00 1.01 0.16 -0.34 121.20 121.92 3gbh s ILE 188 Ca 0.20 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.16 3gbh s ILE 188 Cb -0.11 -1.04 -0.08 0.00 0.01 0.00 0.00 42.46 41.24 3gbh s ILE 188 CO 0.12 0.15 0.94 0.00 0.00 0.00 0.00 174.94 176.15 3gbh s ALA 189 N 1.76 3.32 0.00 9.38 0.00 -0.27 -0.41 121.76 135.54 3gbh s ALA 189 Ca 0.02 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.60 3gbh s ALA 189 Cb -0.14 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 3gbh s ALA 189 CO -0.07 0.17 -0.02 -1.50 0.00 0.00 0.00 175.76 174.33 3gbh s ILE 190 N -0.97 0.16 -1.99 0.00 2.07 -0.65 -1.35 121.20 118.47 3gbh s ILE 190 Ca 0.42 -0.25 0.00 0.00 -1.41 0.00 0.00 60.65 59.41 3gbh s ILE 190 Cb -0.25 -0.18 0.00 0.00 0.13 0.00 0.00 42.46 42.16 3gbh s ILE 190 CO 0.32 -0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.90 3gbh n GLY 191 N 2.74 -1.18 3.73 1.50 0.00 -0.88 -1.18 105.19 109.92 3gbh n GLY 191 Ca -0.15 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 3gbh n GLY 191 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gbh s LYS 192 N -0.80 4.32 0.34 1.61 2.47 -1.26 -0.60 119.74 125.82 3gbh s LYS 192 Ca 0.00 0.44 -0.28 0.00 -1.56 0.00 0.00 55.97 54.58 3gbh s LYS 192 Cb 0.00 -3.42 -0.10 0.00 -1.46 0.00 0.00 37.83 32.85 3gbh s LYS 192 CO 0.00 0.19 1.23 -1.59 0.16 0.00 0.00 175.35 175.34 3gbh s LYS 193 N 0.51 4.31 -0.01 4.03 -2.85 -1.26 -0.34 119.74 124.12 3gbh s LYS 193 Ca 0.26 2.03 0.14 0.00 -1.00 0.00 0.00 55.97 57.40 3gbh s LYS 193 Cb -0.15 -2.97 -0.19 0.00 -2.06 0.00 0.00 37.83 32.45 3gbh s LYS 193 CO 0.10 -0.16 0.44 0.00 0.10 0.00 0.00 175.35 175.83 3gbh n ALA 194 N 0.65 3.10 -2.98 0.59 0.00 0.08 -4.50 120.51 117.44 3gbh n ALA 194 Ca 0.01 -0.37 -0.12 0.00 0.00 0.00 0.00 53.44 52.96 3gbh n ALA 194 Cb 0.44 -0.51 -0.13 0.00 0.00 0.00 0.00 19.45 19.25 3gbh n ALA 194 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3gbh s GLN 195 N -2.72 0.11 0.40 0.00 -0.21 -1.14 -4.99 119.66 111.11 3gbh s GLN 195 Ca -0.01 0.13 -0.26 0.00 0.02 0.00 0.00 55.36 55.24 3gbh s GLN 195 Cb 0.10 0.05 -0.10 0.00 1.00 0.00 0.00 33.01 34.06 3gbh s GLN 195 CO 0.59 -0.02 1.36 -0.25 -2.12 0.00 0.00 175.29 174.86 3gbh n ASP 196 N 3.05 3.07 -4.74 5.90 8.00 -1.26 -4.68 116.55 125.89 3gbh n ASP 196 Ca -0.13 1.16 -0.37 0.00 0.71 0.00 0.00 54.79 56.16 3gbh n ASP 196 Cb 0.59 -1.55 0.05 0.00 -0.02 0.00 0.00 41.12 40.19 3gbh n ASP 196 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gbh s ALA 197 N -1.16 2.58 0.28 2.24 0.00 -1.26 -4.93 121.76 119.51 3gbh s ALA 197 Ca 0.58 1.19 -0.29 0.00 0.00 0.00 0.00 51.96 53.44 3gbh s ALA 197 Cb -0.50 -3.53 -0.10 0.00 0.00 0.00 0.00 23.12 19.00 3gbh s ALA 197 CO 0.60 -1.38 1.11 -1.01 0.00 0.00 0.00 175.76 175.09 3gbh s HIS 198 N -1.42 3.54 0.67 0.00 3.76 -1.26 -5.03 115.29 115.55 3gbh s HIS 198 Ca 0.77 1.68 -0.15 0.00 -0.15 0.00 0.00 55.06 57.21 3gbh s HIS 198 Cb -0.36 -3.31 0.00 0.00 1.11 0.00 0.00 32.58 30.02 3gbh s HIS 198 CO 0.40 -0.65 1.11 -0.51 -0.85 0.00 0.00 174.74 174.25 3gbh s ASP 199 N -0.83 5.06 0.08 1.40 1.01 -1.26 -4.83 116.67 117.30 3gbh s ASP 199 Ca 0.45 1.99 0.02 0.00 0.71 0.00 0.00 52.55 55.72 3gbh s ASP 199 Cb -0.32 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.02 3gbh s ASP 199 CO 0.42 -1.67 -0.07 -0.94 0.21 0.00 0.00 175.17 173.12 3gbh s SER 200 N -2.63 1.04 0.27 0.27 1.04 -1.26 -5.16 113.70 107.27 3gbh s SER 200 Ca 0.67 -0.85 -0.01 0.00 0.48 0.00 0.00 55.95 56.24 3gbh s SER 200 Cb -0.20 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 3gbh s SER 200 CO 0.43 -0.38 0.48 -0.69 0.98 0.00 0.00 173.24 174.06 3gbh s VAL 201 N -2.85 5.13 0.07 5.02 1.01 -1.26 -5.12 120.40 122.40 3gbh s VAL 201 Ca 0.04 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.75 3gbh s VAL 201 Cb 0.00 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 3gbh s VAL 201 CO -0.03 -0.35 -0.18 -0.13 0.00 0.00 0.00 175.10 174.41 3gbh s ARG 202 N -3.75 1.06 0.55 2.72 1.81 -1.26 -5.14 118.95 114.94 3gbh s ARG 202 Ca 0.40 -0.98 -0.21 0.00 -1.72 0.00 0.00 55.73 53.22 3gbh s ARG 202 Cb -0.10 -1.17 -0.05 0.00 -0.45 0.00 0.00 34.95 33.17 3gbh s ARG 202 CO 0.32 0.28 1.25 1.28 -0.68 0.00 0.00 175.30 177.74 3gbh n LEU 203 N 1.47 4.92 -4.69 2.53 4.77 -1.26 -4.96 117.00 119.78 3gbh n LEU 203 Ca -0.19 0.94 -0.44 0.00 -0.03 0.00 0.00 56.01 56.30 3gbh n LEU 203 Cb 0.54 -1.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.09 3gbh n LEU 203 CO 0.22 -0.93 0.98 -2.65 -1.33 0.00 0.00 177.39 173.68 3gbh n PRO 204 N -0.94 2.12 0.28 3.23 -0.02 -1.26 -4.87 135.00 133.55 3gbh n PRO 204 Ca 0.11 0.75 0.13 0.00 -2.02 0.00 0.00 63.50 62.47 3gbh n PRO 204 Cb 0.45 -2.38 0.81 0.00 -0.02 0.00 0.00 33.50 32.35 3gbh n PRO 204 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 3gbh h ILE 205 N 2.85 0.63 0.00 4.25 3.07 -1.98 -1.21 117.51 125.12 3gbh h ILE 205 Ca -0.46 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 65.75 3gbh h ILE 205 Cb 1.28 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 38.95 3gbh h ILE 205 CO 0.70 0.05 0.00 -0.90 -1.05 0.00 0.00 178.15 176.95 3gbh n ASP 206 N -3.88 0.00 -0.25 2.16 5.68 -1.26 -1.23 116.55 117.77 3gbh n ASP 206 Ca -0.03 -0.59 0.12 0.00 -0.50 0.00 0.00 54.79 53.79 3gbh n ASP 206 Cb 0.14 -0.04 0.21 0.00 -1.14 0.00 0.00 41.12 40.30 3gbh n ASP 206 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3gbh n ASP 207 N -1.04 1.19 0.00 -1.12 8.00 -0.46 -4.52 116.55 118.61 3gbh n ASP 207 Ca 0.16 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.70 3gbh n ASP 207 Cb 0.09 0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 3gbh n ASP 207 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3gbh n VAL 208 N -0.70 0.00 -4.26 2.53 0.24 -0.54 -5.06 118.33 110.53 3gbh n VAL 208 Ca 0.10 -0.25 -0.19 0.00 -2.04 0.00 0.00 64.34 61.96 3gbh n VAL 208 Cb 0.37 1.05 -0.13 0.00 -1.47 0.00 0.00 33.84 33.67 3gbh n VAL 208 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gbh s ARG 209 N -0.45 0.85 -0.03 7.34 1.04 -0.37 -5.12 118.95 122.21 3gbh s ARG 209 Ca 0.00 -0.81 -0.09 0.00 -1.04 0.00 0.00 55.73 53.78 3gbh s ARG 209 Cb 0.00 -0.84 0.01 0.00 -2.04 0.00 0.00 34.95 32.08 3gbh s ARG 209 CO 0.00 0.20 0.21 -1.83 -0.04 0.00 0.00 175.30 173.84 3gbh s GLU 210 N -1.36 0.45 -0.12 3.89 -1.05 -1.26 -4.64 118.70 114.61 3gbh s GLU 210 Ca -0.00 -0.10 -0.19 0.00 -0.15 0.00 0.00 54.97 54.53 3gbh s GLU 210 Cb -0.09 0.20 -0.04 0.00 -0.44 0.00 0.00 34.13 33.76 3gbh s GLU 210 CO 0.02 -0.10 0.49 -0.06 0.95 0.00 0.00 175.26 176.56 3gbh s PHE 211 N -0.84 3.52 0.00 4.83 0.08 -1.26 -5.25 117.98 119.06 3gbh s PHE 211 Ca -0.09 0.91 0.00 0.00 0.12 0.00 0.00 56.93 57.87 3gbh s PHE 211 Cb -0.05 -2.57 0.00 0.00 -0.57 0.00 0.00 43.02 39.83 3gbh s PHE 211 CO 0.02 0.16 0.40 1.28 -0.10 0.00 0.00 175.22 176.98