#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bu9 s ALA 2 N 0.00 -1.83 -1.00 -5.12 0.00 -1.26 -4.97 121.76 107.58 1bu9 s ALA 2 Ca 0.00 1.35 -0.16 0.00 0.00 0.00 0.00 51.96 53.15 1bu9 s ALA 2 Cb 0.00 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 21.09 1bu9 s ALA 2 CO 0.00 -1.39 0.64 -1.91 0.00 0.00 0.00 175.76 173.10 1bu9 n GLU 3 N 5.40 -0.96 -2.16 0.00 2.13 -1.26 -4.33 120.64 119.46 1bu9 n GLU 3 Ca -0.01 0.46 -0.28 0.00 0.66 0.00 0.00 57.16 57.99 1bu9 n GLU 3 Cb 0.51 -2.45 0.17 0.00 0.27 0.00 0.00 31.44 29.94 1bu9 n GLU 3 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1bu9 s PRO 4 N -6.04 0.83 0.60 5.31 0.04 -1.26 -3.97 135.00 130.51 1bu9 s PRO 4 Ca 0.23 -0.72 0.29 0.00 0.04 0.00 0.00 61.00 60.84 1bu9 s PRO 4 Cb -0.12 -2.00 1.59 0.00 0.04 0.00 0.00 34.50 34.01 1bu9 s PRO 4 CO 0.93 -2.20 2.00 -1.49 0.04 0.00 0.00 177.00 176.28 1bu9 h TRP 5 N -1.34 0.00 -1.55 0.56 6.55 -1.88 -2.95 115.95 115.33 1bu9 h TRP 5 Ca -0.41 0.00 -0.47 0.00 0.95 0.00 0.00 58.89 58.95 1bu9 h TRP 5 Cb 1.23 0.00 0.06 0.00 -0.86 0.00 0.00 29.16 29.59 1bu9 h TRP 5 CO -0.99 0.00 0.01 0.20 -1.05 0.00 0.00 178.44 176.61 1bu9 s GLY 6 N -3.93 1.75 0.00 1.49 0.00 -1.26 -0.46 107.32 104.92 1bu9 s GLY 6 Ca -0.04 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.77 1bu9 s GLY 6 CO 0.52 -1.39 0.00 0.70 0.00 0.00 0.00 173.10 172.93 1bu9 n ASN 7 N -2.55 0.00 -0.01 1.64 4.13 -1.26 -3.39 115.26 113.82 1bu9 n ASN 7 Ca 0.15 0.00 -0.00 0.00 1.68 0.00 0.00 54.58 56.41 1bu9 n ASN 7 Cb 0.61 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.85 1bu9 n ASN 7 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1bu9 h GLU 8 N 0.00 0.00 -0.64 3.52 4.57 -1.83 -3.31 114.58 116.89 1bu9 h GLU 8 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1bu9 h GLU 8 Cb 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.51 1bu9 h GLU 8 CO 0.00 0.00 -0.41 -0.07 -1.18 0.00 0.00 179.01 177.35 1bu9 h LEU 9 N -0.16 -1.50 -0.94 1.64 4.07 -1.53 0.52 115.31 117.42 1bu9 h LEU 9 Ca 0.00 0.22 0.28 0.00 0.08 0.00 0.00 57.88 58.46 1bu9 h LEU 9 Cb 0.05 0.66 -0.16 0.00 1.08 0.00 0.00 40.66 42.29 1bu9 h LEU 9 CO 0.00 -0.18 0.21 0.00 -1.08 0.00 0.00 178.44 177.39 1bu9 h ALA 10 N -0.01 1.38 -1.93 1.53 0.00 -0.98 1.89 119.26 121.14 1bu9 h ALA 10 Ca 0.10 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1bu9 h ALA 10 Cb 0.31 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1bu9 h ALA 10 CO -0.63 -0.58 0.00 0.45 0.00 0.00 0.00 179.25 178.49 1bu9 n SER 11 N -5.32 0.00 0.21 0.00 2.88 0.18 0.20 113.62 111.77 1bu9 n SER 11 Ca 0.25 0.68 -0.15 0.00 -1.33 0.00 0.00 58.87 58.32 1bu9 n SER 11 Cb 0.80 -0.18 -0.08 0.00 -0.75 0.00 0.00 64.21 64.00 1bu9 n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bu9 h ALA 12 N -1.81 -0.49 -0.58 -1.46 0.00 -1.12 0.12 119.26 113.93 1bu9 h ALA 12 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1bu9 h ALA 12 Cb 0.00 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 17.88 1bu9 h ALA 12 CO 0.00 -0.74 -0.48 0.00 0.00 0.00 0.00 179.25 178.03 1bu9 h ALA 13 N 0.03 -0.45 -0.03 0.00 0.00 0.30 1.13 119.26 120.24 1bu9 h ALA 13 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1bu9 h ALA 13 Cb 0.43 1.04 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1bu9 h ALA 13 CO 0.08 -0.89 0.00 0.00 0.00 0.00 0.00 179.25 178.44 1bu9 n ALA 14 N -3.15 2.49 0.34 0.00 0.00 0.54 0.26 120.51 120.98 1bu9 n ALA 14 Ca 0.01 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.44 1bu9 n ALA 14 Cb 0.34 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.86 1bu9 n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1bu9 n ARG 15 N -0.40 0.93 0.00 0.00 3.00 0.37 -4.49 116.66 116.07 1bu9 n ARG 15 Ca 0.01 -1.30 0.00 0.00 -0.00 0.00 0.00 57.85 56.56 1bu9 n ARG 15 Cb 0.03 -1.22 0.00 0.00 0.00 0.00 0.00 32.46 31.27 1bu9 n ARG 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bu9 n GLY 16 N 0.58 3.29 3.47 5.14 0.00 -0.20 -4.97 105.19 112.50 1bu9 n GLY 16 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 1bu9 n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bu9 n ASP 17 N 0.00 0.86 0.01 1.61 9.92 -0.36 -4.76 116.55 123.83 1bu9 n ASP 17 Ca 0.00 0.15 -0.21 0.00 -0.53 0.00 0.00 54.79 54.21 1bu9 n ASP 17 Cb 0.00 -1.06 -0.14 0.00 -0.64 0.00 0.00 41.12 39.28 1bu9 n ASP 17 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1bu9 h LEU 18 N 12.91 0.36 -0.17 0.64 7.12 -1.93 -3.31 115.31 130.93 1bu9 h LEU 18 Ca -0.11 -0.87 -0.23 0.00 0.13 0.00 0.00 57.88 56.80 1bu9 h LEU 18 Cb 1.32 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 41.34 1bu9 h LEU 18 CO 1.28 1.50 -0.93 -0.08 -0.13 0.00 0.00 178.44 180.08 1bu9 h GLU 19 N -0.42 0.46 0.19 1.25 4.22 -1.99 -2.99 114.58 115.30 1bu9 h GLU 19 Ca -0.24 -0.48 -0.00 0.00 0.08 0.00 0.00 59.36 58.72 1bu9 h GLU 19 Cb 1.64 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.01 1bu9 h GLU 19 CO 0.07 1.13 -0.24 0.37 -2.18 0.00 0.00 179.01 178.15 1bu9 h GLN 20 N 0.27 -0.43 -0.96 1.92 5.75 -1.95 0.40 115.11 120.11 1bu9 h GLN 20 Ca -0.08 0.03 0.17 0.00 -0.15 0.00 0.00 58.65 58.62 1bu9 h GLN 20 Cb 1.56 0.10 -0.09 0.00 1.07 0.00 0.00 27.48 30.13 1bu9 h GLN 20 CO 0.17 -0.29 0.61 1.37 -2.65 0.00 0.00 178.83 178.03 1bu9 h LEU 21 N -0.45 0.69 0.16 -2.39 8.10 -1.69 -1.45 115.31 118.28 1bu9 h LEU 21 Ca -0.02 0.06 -0.01 0.00 0.11 0.00 0.00 57.88 58.02 1bu9 h LEU 21 Cb 0.40 -0.07 -0.00 0.00 -0.44 0.00 0.00 40.66 40.55 1bu9 h LEU 21 CO -0.06 0.29 -0.11 0.74 -4.11 0.00 0.00 178.44 175.19 1bu9 h THR 22 N 0.70 0.00 -0.81 0.15 2.02 -1.19 0.49 112.91 114.26 1bu9 h THR 22 Ca 0.51 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.89 1bu9 h THR 22 Cb 0.87 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.14 1bu9 h THR 22 CO -0.27 0.00 0.11 -1.28 0.37 0.00 0.00 175.52 174.45 1bu9 h SER 23 N -0.26 -0.18 -0.98 4.18 0.87 -0.58 0.50 113.55 117.09 1bu9 h SER 23 Ca -0.02 0.20 0.09 0.00 -1.23 0.00 0.00 61.79 60.82 1bu9 h SER 23 Cb 0.21 0.31 -0.07 0.00 -0.44 0.00 0.00 62.40 62.41 1bu9 h SER 23 CO 0.02 -0.16 0.62 -0.07 -0.53 0.00 0.00 176.83 176.71 1bu9 h LEU 24 N 0.16 0.96 0.42 2.23 4.07 -0.97 0.42 115.31 122.60 1bu9 h LEU 24 Ca 0.48 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.44 1bu9 h LEU 24 Cb 0.90 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.47 1bu9 h LEU 24 CO -0.66 0.57 -0.20 0.25 -1.08 0.00 0.00 178.44 177.32 1bu9 h LEU 25 N 1.07 -0.48 -2.08 1.67 5.85 0.23 2.15 115.31 123.72 1bu9 h LEU 25 Ca 0.45 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.21 1bu9 h LEU 25 Cb 0.30 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1bu9 h LEU 25 CO -0.21 -0.34 0.32 0.06 -0.34 0.00 0.00 178.44 177.92 1bu9 h GLN 26 N -0.57 0.00 0.00 1.25 3.07 -1.30 -2.71 115.11 114.85 1bu9 h GLN 26 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.68 1bu9 h GLN 26 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.99 1bu9 h GLN 26 CO 0.10 0.00 -0.25 -0.97 0.09 0.00 0.00 178.83 177.79 1bu9 h ASN 27 N 0.00 0.00 -1.71 0.06 -0.73 -0.02 -3.50 115.58 109.68 1bu9 h ASN 27 Ca 0.03 0.00 0.20 0.00 1.87 0.00 0.00 56.30 58.40 1bu9 h ASN 27 Cb 0.66 0.00 -0.31 0.00 0.27 0.00 0.00 38.32 38.94 1bu9 h ASN 27 CO -0.00 0.48 0.65 0.20 -0.37 0.00 0.00 177.43 178.39 1bu9 s ASN 28 N -5.00 -0.14 0.15 1.15 0.01 0.72 -5.06 114.94 106.77 1bu9 s ASN 28 Ca -0.07 0.21 -0.21 0.00 -0.71 0.00 0.00 52.86 52.08 1bu9 s ASN 28 Cb 0.01 1.08 0.06 0.00 0.41 0.00 0.00 41.25 42.81 1bu9 s ASN 28 CO 0.11 -0.03 0.54 0.68 -1.51 0.00 0.00 177.10 176.88 1bu9 s VAL 29 N 1.32 0.02 -1.00 1.60 -7.23 -1.25 -4.51 120.40 109.35 1bu9 s VAL 29 Ca -0.06 -0.19 -0.09 0.00 -1.81 0.00 0.00 61.98 59.83 1bu9 s VAL 29 Cb -0.02 -1.06 0.25 0.00 0.56 0.00 0.00 36.38 36.11 1bu9 s VAL 29 CO -0.12 -0.10 0.96 0.20 -0.31 0.00 0.00 175.10 175.73 1bu9 s ASN 30 N -2.77 6.91 0.58 4.85 -0.87 -1.26 -4.82 114.94 117.55 1bu9 s ASN 30 Ca 0.02 -3.39 0.36 0.00 -1.57 0.00 0.00 52.86 48.28 1bu9 s ASN 30 Cb -0.00 -2.15 1.25 0.00 -0.02 0.00 0.00 41.25 40.33 1bu9 s ASN 30 CO -0.13 -0.34 1.39 0.55 -2.57 0.00 0.00 177.10 176.01 1bu9 n VAL 31 N 2.95 0.00 -0.17 1.60 3.14 -1.26 0.30 118.33 124.90 1bu9 n VAL 31 Ca 0.21 1.34 0.05 0.00 -2.96 0.00 0.00 64.34 62.97 1bu9 n VAL 31 Cb 0.40 -2.32 0.13 0.00 -1.06 0.00 0.00 33.84 30.99 1bu9 n VAL 31 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1bu9 n ASN 32 N -3.51 2.80 -3.27 6.55 5.03 -1.26 -4.74 115.26 116.86 1bu9 n ASN 32 Ca 0.32 -2.03 -0.07 0.00 0.87 0.00 0.00 54.58 53.68 1bu9 n ASN 32 Cb 1.73 -0.20 0.07 0.00 -1.02 0.00 0.00 39.78 40.35 1bu9 n ASN 32 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bu9 n ALA 33 N 0.32 -1.20 -3.65 5.41 0.00 0.88 -4.99 120.51 117.29 1bu9 n ALA 33 Ca 0.10 -0.35 -0.05 0.00 0.00 0.00 0.00 53.44 53.14 1bu9 n ALA 33 Cb 0.41 -0.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 1bu9 n ALA 33 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1bu9 s GLN 34 N -2.36 0.61 1.01 0.00 -0.21 -1.26 -4.35 119.66 113.10 1bu9 s GLN 34 Ca 0.15 1.27 -0.12 0.00 0.02 0.00 0.00 55.36 56.68 1bu9 s GLN 34 Cb -0.03 0.42 0.20 0.00 1.00 0.00 0.00 33.01 34.60 1bu9 s GLN 34 CO 0.13 -0.18 1.08 -0.80 -2.12 0.00 0.00 175.29 173.41 1bu9 s ASN 35 N 2.16 2.45 0.61 5.90 0.01 -1.14 -4.65 114.94 120.28 1bu9 s ASN 35 Ca -0.08 1.26 0.31 0.00 -0.71 0.00 0.00 52.86 53.64 1bu9 s ASN 35 Cb -0.08 -1.94 1.76 0.00 0.41 0.00 0.00 41.25 41.40 1bu9 s ASN 35 CO -0.19 -3.25 2.10 1.23 -1.51 0.00 0.00 177.10 175.49 1bu9 h GLY 36 N -1.97 0.00 -1.80 0.66 0.00 -1.98 0.74 103.07 98.72 1bu9 h GLY 36 Ca -0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1bu9 h GLY 36 CO 0.56 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.79 1bu9 n PHE 37 N -3.55 0.74 -1.74 5.60 3.72 -1.26 -4.81 117.46 116.17 1bu9 n PHE 37 Ca 0.01 -0.28 -0.20 0.00 -0.05 0.00 0.00 57.45 56.93 1bu9 n PHE 37 Cb 0.31 -0.19 -0.07 0.00 -0.94 0.00 0.00 39.48 38.59 1bu9 n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bu9 n GLY 38 N 0.49 1.42 3.17 1.37 0.00 0.26 -3.46 105.19 108.44 1bu9 n GLY 38 Ca 0.11 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1bu9 n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bu9 s ARG 39 N -3.96 3.25 0.47 1.61 1.81 -1.23 -4.06 118.95 116.86 1bu9 s ARG 39 Ca 0.00 -2.93 -0.21 0.00 -1.72 0.00 0.00 55.73 50.88 1bu9 s ARG 39 Cb 0.00 -4.05 -0.12 0.00 -0.45 0.00 0.00 34.95 30.33 1bu9 s ARG 39 CO 0.00 -1.24 0.46 2.41 -0.68 0.00 0.00 175.30 176.25 1bu9 n THR 40 N 2.97 1.69 0.15 0.02 -1.04 -1.26 -2.91 114.28 113.90 1bu9 n THR 40 Ca 0.17 -0.50 0.18 0.00 -2.04 0.00 0.00 64.05 61.86 1bu9 n THR 40 Cb 0.39 -0.51 0.68 0.00 -1.82 0.00 0.00 70.33 69.07 1bu9 n THR 40 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bu9 h ALA 41 N 0.55 1.96 0.00 2.41 0.00 -1.79 2.41 119.26 124.81 1bu9 h ALA 41 Ca -0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1bu9 h ALA 41 Cb 1.41 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1bu9 h ALA 41 CO 0.49 -0.71 -0.05 1.25 0.00 0.00 0.00 179.25 180.23 1bu9 h LEU 42 N 0.00 0.00 0.00 0.00 5.85 -1.85 2.18 115.31 121.49 1bu9 h LEU 42 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1bu9 h LEU 42 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1bu9 h LEU 42 CO -0.00 0.05 -0.76 1.56 -0.34 0.00 0.00 178.44 178.95 1bu9 h GLN 43 N 0.00 0.00 0.00 1.25 4.20 0.39 -3.39 115.11 117.56 1bu9 h GLN 43 Ca -0.00 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.39 1bu9 h GLN 43 Cb 0.55 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 1bu9 h GLN 43 CO 0.01 0.00 -2.11 1.33 -0.67 0.00 0.00 178.83 177.39 1bu9 n VAL 44 N -2.30 1.09 0.00 -0.54 0.24 -0.55 -4.79 118.33 111.48 1bu9 n VAL 44 Ca 0.02 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 1bu9 n VAL 44 Cb 0.48 -1.63 0.00 0.00 -1.47 0.00 0.00 33.84 31.21 1bu9 n VAL 44 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 1bu9 n MET 45 N -3.70 0.00 -1.51 7.34 0.00 0.73 -4.09 117.12 115.88 1bu9 n MET 45 Ca -0.38 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.03 1bu9 n MET 45 Cb 0.80 0.00 -0.16 0.00 0.00 0.00 0.00 33.22 33.85 1bu9 n MET 45 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1bu9 n LYS 46 N 0.01 0.17 0.01 3.17 3.00 0.72 -4.64 118.16 120.60 1bu9 n LYS 46 Ca 0.00 -0.10 0.02 0.00 -0.00 0.00 0.00 58.31 58.23 1bu9 n LYS 46 Cb 0.00 -1.73 0.09 0.00 0.00 0.00 0.00 35.03 33.39 1bu9 n LYS 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1bu9 n LEU 47 N 9.85 0.03 -0.20 3.14 4.77 -1.26 -1.79 117.00 131.54 1bu9 n LEU 47 Ca 0.62 0.51 -0.05 0.00 -0.03 0.00 0.00 56.01 57.06 1bu9 n LEU 47 Cb 0.18 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1bu9 n LEU 47 CO 0.94 -0.48 0.63 1.23 -1.33 0.00 0.00 177.39 178.38 1bu9 h GLY 48 N 0.49 -0.13 -5.57 -0.72 0.00 -1.95 -3.29 103.07 91.90 1bu9 h GLY 48 Ca 0.00 0.44 -0.62 0.00 0.00 0.00 0.00 47.33 47.16 1bu9 h GLY 48 CO 0.00 -0.20 -0.33 0.54 0.00 0.00 0.00 176.54 176.55 1bu9 s ASN 49 N -5.17 6.53 0.12 0.19 2.20 -0.74 -4.94 114.94 113.14 1bu9 s ASN 49 Ca -0.14 0.63 0.23 0.00 -0.94 0.00 0.00 52.86 52.64 1bu9 s ASN 49 Cb 0.16 -2.17 0.15 0.00 -2.00 0.00 0.00 41.25 37.38 1bu9 s ASN 49 CO 0.69 0.25 1.14 -0.81 -2.94 0.00 0.00 177.10 175.43 1bu9 n PRO 50 N 2.64 0.39 0.21 3.55 -0.04 -1.24 -3.37 135.00 137.14 1bu9 n PRO 50 Ca -0.15 0.07 0.09 0.00 -0.04 0.00 0.00 63.50 63.47 1bu9 n PRO 50 Cb 0.53 -1.70 0.38 0.00 -0.04 0.00 0.00 33.50 32.66 1bu9 n PRO 50 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1bu9 h GLU 51 N 0.00 0.00 -0.58 0.54 4.11 -1.91 -2.94 114.58 113.80 1bu9 h GLU 51 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.48 1bu9 h GLU 51 Cb 0.82 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.00 1bu9 h GLU 51 CO 0.00 0.26 -0.40 0.82 0.07 0.00 0.00 179.01 179.77 1bu9 h ILE 52 N 0.00 0.00 -0.07 -1.06 1.08 -1.84 0.43 117.51 116.06 1bu9 h ILE 52 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1bu9 h ILE 52 Cb 0.86 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.61 1bu9 h ILE 52 CO 0.03 0.00 0.02 0.00 -0.69 0.00 0.00 178.15 177.52 1bu9 h ALA 53 N -0.09 0.09 -0.80 1.87 0.00 -1.78 -3.07 119.26 115.47 1bu9 h ALA 53 Ca 0.09 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1bu9 h ALA 53 Cb 0.31 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.98 1bu9 h ALA 53 CO -0.58 -0.32 -0.47 -2.13 0.00 0.00 0.00 179.25 175.74 1bu9 n ARG 54 N -4.94 -0.35 -0.30 0.00 0.63 0.34 0.29 116.66 112.34 1bu9 n ARG 54 Ca -0.06 1.26 0.13 0.00 -0.92 0.00 0.00 57.85 58.26 1bu9 n ARG 54 Cb 0.12 -1.86 0.29 0.00 0.45 0.00 0.00 32.46 31.46 1bu9 n ARG 54 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1bu9 h ARG 55 N 0.00 0.31 0.13 -0.14 9.65 -0.19 1.10 114.38 125.22 1bu9 h ARG 55 Ca 0.13 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.98 1bu9 h ARG 55 Cb 0.33 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 1bu9 h ARG 55 CO -0.76 0.20 -0.06 -0.07 2.80 0.00 0.00 179.97 182.09 1bu9 h LEU 56 N 0.32 -0.14 -0.87 3.80 3.38 0.35 -3.26 115.31 118.89 1bu9 h LEU 56 Ca 0.55 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.63 1bu9 h LEU 56 Cb 1.06 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.73 1bu9 h LEU 56 CO -0.57 0.08 -0.42 -0.11 0.09 0.00 0.00 178.44 177.50 1bu9 n LEU 57 N -3.47 -0.74 -0.26 1.67 -0.00 0.85 -0.20 117.00 114.84 1bu9 n LEU 57 Ca -0.02 1.53 -0.02 0.00 -0.00 0.00 0.00 56.01 57.50 1bu9 n LEU 57 Cb 0.07 -0.27 0.04 0.00 -0.00 0.00 0.00 43.42 43.25 1bu9 n LEU 57 CO 0.05 -1.31 0.64 -0.07 -0.00 0.00 0.00 177.39 176.70 1bu9 h LEU 58 N 0.00 -1.08 -1.98 -1.96 3.38 0.11 2.37 115.31 116.14 1bu9 h LEU 58 Ca 0.22 0.25 0.14 0.00 0.09 0.00 0.00 57.88 58.58 1bu9 h LEU 58 Cb 0.44 0.58 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1bu9 h LEU 58 CO -0.84 -0.29 0.46 -0.09 0.09 0.00 0.00 178.44 177.77 1bu9 h ARG 59 N -0.08 0.00 0.00 1.13 9.65 -0.62 -3.42 114.38 121.03 1bu9 h ARG 59 Ca 0.30 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.18 1bu9 h ARG 59 Cb 0.57 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 1bu9 h ARG 59 CO -0.78 0.00 0.00 0.41 2.80 0.00 0.00 179.97 182.40 1bu9 n GLY 60 N -1.54 0.35 3.77 2.80 0.00 0.76 -5.13 105.19 106.19 1bu9 n GLY 60 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1bu9 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bu9 s ALA 61 N -0.32 3.52 -0.32 4.61 0.00 0.97 -4.92 121.76 125.30 1bu9 s ALA 61 Ca 0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.67 1bu9 s ALA 61 Cb 0.00 -2.67 0.01 0.00 0.00 0.00 0.00 23.12 20.45 1bu9 s ALA 61 CO 0.00 0.19 0.89 -0.80 0.00 0.00 0.00 175.76 176.04 1bu9 s ASN 62 N -0.23 6.73 0.48 0.00 0.01 -1.26 -4.61 114.94 116.07 1bu9 s ASN 62 Ca 0.29 0.74 0.32 0.00 -0.71 0.00 0.00 52.86 53.51 1bu9 s ASN 62 Cb -0.18 -2.45 1.56 0.00 0.41 0.00 0.00 41.25 40.60 1bu9 s ASN 62 CO 0.16 -0.73 1.97 1.55 -1.51 0.00 0.00 177.10 178.54 1bu9 h PRO 63 N 8.17 0.00 -0.01 -0.60 0.13 -1.85 -1.63 132.00 136.21 1bu9 h PRO 63 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1bu9 h PRO 63 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1bu9 h PRO 63 CO 0.94 0.00 -0.07 -3.47 -0.23 0.00 0.00 178.00 175.17 1bu9 n ASP 64 N -2.73 1.18 -4.48 1.44 -0.08 -1.26 -1.36 116.55 109.26 1bu9 n ASP 64 Ca -0.01 -1.24 -0.16 0.00 -1.51 0.00 0.00 54.79 51.88 1bu9 n ASP 64 Cb 0.16 0.03 -0.14 0.00 2.34 0.00 0.00 41.12 43.51 1bu9 n ASP 64 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1bu9 n LEU 65 N -0.21 -0.06 -4.46 -2.67 4.77 -0.61 -4.35 117.00 109.42 1bu9 n LEU 65 Ca 0.17 -1.16 -0.28 0.00 -0.03 0.00 0.00 56.01 54.71 1bu9 n LEU 65 Cb 0.33 -1.07 0.27 0.00 -2.33 0.00 0.00 43.42 40.62 1bu9 n LEU 65 CO 0.19 -2.10 0.49 -0.75 -1.33 0.00 0.00 177.39 173.89 1bu9 s LYS 66 N 7.66 -1.24 0.00 3.23 2.47 -1.26 -2.75 119.74 127.85 1bu9 s LYS 66 Ca 1.00 0.83 0.00 0.00 -1.56 0.00 0.00 55.97 56.24 1bu9 s LYS 66 Cb -0.43 -1.52 0.00 0.00 -1.46 0.00 0.00 37.83 34.43 1bu9 s LYS 66 CO 0.30 -3.94 0.00 -0.40 0.16 0.00 0.00 175.35 171.47 1bu9 n ASP 67 N -5.07 0.31 -0.12 1.43 5.68 -0.94 -4.75 116.55 113.08 1bu9 n ASP 67 Ca 0.02 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.25 1bu9 n ASP 67 Cb 0.54 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.63 1bu9 n ASP 67 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1bu9 h ARG 68 N 0.00 0.85 -0.93 0.11 -0.00 -1.70 -2.07 114.38 110.64 1bu9 h ARG 68 Ca 0.00 -0.27 -0.06 0.00 -0.00 0.00 0.00 59.98 59.65 1bu9 h ARG 68 Cb 0.00 -0.08 -0.04 0.00 -0.00 0.00 0.00 29.97 29.86 1bu9 h ARG 68 CO 0.00 0.89 0.08 0.25 -0.00 0.00 0.00 179.97 181.19 1bu9 n THR 69 N -4.17 1.11 -3.94 0.08 -2.24 -1.26 -4.80 114.28 99.05 1bu9 n THR 69 Ca 0.02 -0.44 -0.27 0.00 -2.27 0.00 0.00 64.05 61.09 1bu9 n THR 69 Cb 0.35 -0.62 -0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1bu9 n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bu9 n GLY 70 N 0.12 -0.32 3.25 3.38 0.00 -0.78 -4.16 105.19 106.68 1bu9 n GLY 70 Ca 0.11 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 1bu9 n GLY 70 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bu9 s PHE 71 N -3.66 3.27 0.62 1.61 0.40 -1.26 -2.22 117.98 116.74 1bu9 s PHE 71 Ca 0.25 -1.53 -0.18 0.00 -0.60 0.00 0.00 56.93 54.87 1bu9 s PHE 71 Cb -0.13 -2.30 -0.03 0.00 0.51 0.00 0.00 43.02 41.06 1bu9 s PHE 71 CO 0.87 -0.75 1.16 0.00 0.70 0.00 0.00 175.22 177.19 1bu9 n ALA 72 N 4.78 0.76 -0.38 5.36 0.00 -1.24 -2.21 120.51 127.58 1bu9 n ALA 72 Ca -0.12 0.01 0.30 0.00 0.00 0.00 0.00 53.44 53.63 1bu9 n ALA 72 Cb 0.44 -2.24 0.58 0.00 0.00 0.00 0.00 19.45 18.24 1bu9 n ALA 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bu9 h VAL 73 N 0.57 0.33 -1.01 0.00 2.07 -1.02 3.24 116.25 120.44 1bu9 h VAL 73 Ca -0.50 -0.08 0.16 0.00 0.82 0.00 0.00 66.70 67.10 1bu9 h VAL 73 Cb 1.35 0.08 -0.10 0.00 -1.52 0.00 0.00 31.29 31.10 1bu9 h VAL 73 CO 0.52 0.04 0.62 0.40 0.02 0.00 0.00 177.57 179.18 1bu9 h ILE 74 N 0.24 0.79 0.00 4.57 2.04 -1.73 0.10 117.51 123.52 1bu9 h ILE 74 Ca 0.70 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 66.26 1bu9 h ILE 74 Cb 2.02 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1bu9 h ILE 74 CO -0.34 0.16 -0.02 0.45 0.00 0.00 0.00 178.15 178.39 1bu9 h HIS 75 N 0.86 -0.07 -1.46 1.37 3.86 0.57 1.15 115.15 121.44 1bu9 h HIS 75 Ca 0.55 0.00 0.46 0.00 -1.16 0.00 0.00 60.37 60.22 1bu9 h HIS 75 Cb 0.73 0.03 -0.10 0.00 1.06 0.00 0.00 27.41 29.13 1bu9 h HIS 75 CO -0.00 -0.03 1.00 -0.25 0.86 0.00 0.00 177.93 179.51 1bu9 n ASP 76 N -2.58 0.10 -0.05 2.45 8.00 -0.43 0.29 116.55 124.33 1bu9 n ASP 76 Ca -0.00 1.05 -0.01 0.00 0.71 0.00 0.00 54.79 56.54 1bu9 n ASP 76 Cb 0.02 -0.52 -0.00 0.00 -0.02 0.00 0.00 41.12 40.60 1bu9 n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bu9 h ALA 77 N 1.14 0.00 0.02 2.24 0.00 0.15 -3.37 119.26 119.43 1bu9 h ALA 77 Ca 0.80 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.53 1bu9 h ALA 77 Cb 2.88 0.07 0.01 0.00 0.00 0.00 0.00 17.79 20.75 1bu9 h ALA 77 CO -0.22 0.07 -0.41 0.00 0.00 0.00 0.00 179.25 178.69 1bu9 h ALA 78 N -1.04 0.03 -0.14 0.00 0.00 0.41 2.39 119.26 120.90 1bu9 h ALA 78 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.39 1bu9 h ALA 78 Cb 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1bu9 h ALA 78 CO 0.00 0.20 -0.08 -2.13 0.00 0.00 0.00 179.25 177.23 1bu9 n ARG 79 N -4.38 -0.06 -0.06 0.00 0.00 0.83 -0.92 116.66 112.06 1bu9 n ARG 79 Ca -0.10 0.71 -0.13 0.00 -0.00 0.00 0.00 57.85 58.33 1bu9 n ARG 79 Cb 0.59 -1.06 -0.07 0.00 0.00 0.00 0.00 32.46 31.93 1bu9 n ARG 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bu9 h ALA 80 N -0.42 0.23 0.00 5.13 0.00 -1.72 -3.39 119.26 119.08 1bu9 h ALA 80 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1bu9 h ALA 80 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bu9 h ALA 80 CO -0.13 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1bu9 n GLY 81 N 0.16 0.19 2.74 0.00 0.00 -0.10 -4.98 105.19 103.21 1bu9 n GLY 81 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1bu9 n GLY 81 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bu9 n PHE 82 N 0.00 2.59 -0.03 1.61 3.72 0.80 -4.85 117.46 121.31 1bu9 n PHE 82 Ca 0.00 -2.65 -0.07 0.00 -0.05 0.00 0.00 57.45 54.68 1bu9 n PHE 82 Cb 0.00 -1.46 -0.05 0.00 -0.94 0.00 0.00 39.48 37.03 1bu9 n PHE 82 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1bu9 h LEU 83 N 5.40 -0.83 -1.30 4.37 7.12 -1.92 0.56 115.31 128.71 1bu9 h LEU 83 Ca 0.45 0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.57 1bu9 h LEU 83 Cb 0.45 0.33 0.00 0.00 -0.53 0.00 0.00 40.66 40.91 1bu9 h LEU 83 CO 1.36 -0.21 0.56 0.44 -0.13 0.00 0.00 178.44 180.45 1bu9 h ASP 84 N -0.24 0.00 0.00 1.25 5.19 -1.95 0.48 116.42 121.15 1bu9 h ASP 84 Ca 0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1bu9 h ASP 84 Cb 0.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1bu9 h ASP 84 CO -0.23 0.00 -0.23 0.74 -3.12 0.00 0.00 179.24 176.40 1bu9 h THR 85 N 0.00 0.00 -0.18 0.35 2.02 -0.31 -2.85 112.91 111.94 1bu9 h THR 85 Ca 0.00 -0.92 0.05 0.00 0.77 0.00 0.00 66.41 66.32 1bu9 h THR 85 Cb 1.12 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1bu9 h THR 85 CO 0.00 0.00 0.41 0.17 0.37 0.00 0.00 175.52 176.47 1bu9 h LEU 86 N -0.92 0.00 -0.17 2.58 8.10 0.20 1.40 115.31 126.50 1bu9 h LEU 86 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 1bu9 h LEU 86 Cb 0.23 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.45 1bu9 h LEU 86 CO 0.00 0.00 0.08 1.56 -4.11 0.00 0.00 178.44 175.97 1bu9 h GLN 87 N 0.00 0.25 -0.07 0.17 4.20 -0.10 0.53 115.11 120.09 1bu9 h GLN 87 Ca 0.09 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.78 1bu9 h GLN 87 Cb 0.90 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.59 1bu9 h GLN 87 CO -0.00 0.30 -0.43 1.15 -0.67 0.00 0.00 178.83 179.19 1bu9 h THR 88 N 0.14 0.00 0.11 -0.54 2.02 0.21 0.85 112.91 115.70 1bu9 h THR 88 Ca 0.06 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1bu9 h THR 88 Cb 0.14 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.52 1bu9 h THR 88 CO -0.01 0.00 -0.32 -0.07 0.37 0.00 0.00 175.52 175.49 1bu9 h LEU 89 N -0.48 -0.96 -0.59 2.58 4.07 -1.15 1.56 115.31 120.34 1bu9 h LEU 89 Ca 0.02 0.10 0.11 0.00 0.08 0.00 0.00 57.88 58.19 1bu9 h LEU 89 Cb 0.55 0.35 -0.12 0.00 1.08 0.00 0.00 40.66 42.52 1bu9 h LEU 89 CO -0.33 -0.35 -0.25 0.25 -1.08 0.00 0.00 178.44 176.68 1bu9 h LEU 90 N -0.49 -0.89 -1.87 1.67 7.12 0.36 2.42 115.31 123.63 1bu9 h LEU 90 Ca -0.01 0.21 0.09 0.00 0.13 0.00 0.00 57.88 58.30 1bu9 h LEU 90 Cb 0.48 0.48 -0.02 0.00 -0.53 0.00 0.00 40.66 41.07 1bu9 h LEU 90 CO -0.16 -0.27 0.28 -0.08 -0.13 0.00 0.00 178.44 178.09 1bu9 h GLU 91 N -0.10 0.14 -1.10 1.25 4.57 0.15 -0.15 114.58 119.33 1bu9 h GLU 91 Ca 0.26 -0.01 -0.46 0.00 -1.18 0.00 0.00 59.36 57.97 1bu9 h GLU 91 Cb 0.52 -0.03 -0.23 0.00 -0.16 0.00 0.00 28.75 28.84 1bu9 h GLU 91 CO -0.65 0.10 0.59 1.19 -1.18 0.00 0.00 179.01 179.05 1bu9 n PHE 92 N -4.45 2.44 -3.15 0.92 3.72 0.79 -4.85 117.46 112.89 1bu9 n PHE 92 Ca 0.06 -2.02 -0.15 0.00 -0.05 0.00 0.00 57.45 55.30 1bu9 n PHE 92 Cb 0.37 -1.00 0.06 0.00 -0.94 0.00 0.00 39.48 37.97 1bu9 n PHE 92 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1bu9 n GLN 93 N -0.59 -5.18 -3.34 -1.08 6.02 -0.08 -4.76 117.38 108.37 1bu9 n GLN 93 Ca 0.48 0.59 -0.43 0.00 -0.01 0.00 0.00 57.00 57.62 1bu9 n GLN 93 Cb 1.05 -4.89 -0.08 0.00 1.02 0.00 0.00 30.24 27.34 1bu9 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bu9 s ALA 94 N -3.24 3.47 -0.85 -1.58 0.00 0.35 -4.74 121.76 115.16 1bu9 s ALA 94 Ca 0.21 -1.74 -0.23 0.00 0.00 0.00 0.00 51.96 50.20 1bu9 s ALA 94 Cb -0.09 -3.07 -0.21 0.00 0.00 0.00 0.00 23.12 19.75 1bu9 s ALA 94 CO 0.52 -1.66 2.22 -0.25 0.00 0.00 0.00 175.76 176.58 1bu9 n ASP 95 N 5.49 -0.02 0.15 0.00 9.92 -1.26 -4.30 116.55 126.53 1bu9 n ASP 95 Ca -0.09 0.05 0.19 0.00 -0.53 0.00 0.00 54.79 54.40 1bu9 n ASP 95 Cb 0.46 -0.73 0.72 0.00 -0.64 0.00 0.00 41.12 40.93 1bu9 n ASP 95 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 1bu9 h VAL 96 N 6.67 0.23 -0.79 2.53 3.04 -1.95 2.10 116.25 128.07 1bu9 h VAL 96 Ca -0.03 0.00 -0.27 0.00 -1.01 0.00 0.00 66.70 65.39 1bu9 h VAL 96 Cb 1.09 0.58 -0.16 0.00 -2.01 0.00 0.00 31.29 30.79 1bu9 h VAL 96 CO 1.22 0.00 0.34 0.59 -1.01 0.00 0.00 177.57 178.71 1bu9 n ASN 97 N -3.40 4.70 -4.60 3.17 5.03 -1.26 -4.52 115.26 114.37 1bu9 n ASN 97 Ca 0.06 -3.29 -0.43 0.00 0.87 0.00 0.00 54.58 51.78 1bu9 n ASN 97 Cb 0.63 -0.77 -0.02 0.00 -1.02 0.00 0.00 39.78 38.60 1bu9 n ASN 97 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1bu9 s ILE 98 N -3.05 3.64 0.00 2.41 -1.16 0.71 -4.87 121.20 118.88 1bu9 s ILE 98 Ca 0.56 0.66 0.00 0.00 -0.51 0.00 0.00 60.65 61.36 1bu9 s ILE 98 Cb 0.45 -3.85 0.00 0.00 0.61 0.00 0.00 42.46 39.67 1bu9 s ILE 98 CO 0.13 -0.53 0.00 -0.62 -2.81 0.00 0.00 174.94 171.12 1bu9 n GLU 99 N 8.25 2.97 0.00 3.50 1.02 -1.26 -3.10 120.64 132.02 1bu9 n GLU 99 Ca 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1bu9 n GLU 99 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 1bu9 n GLU 99 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1bu9 n ASP 100 N 0.00 0.00 -0.94 1.62 5.75 0.28 -3.72 116.55 119.54 1bu9 n ASP 100 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.81 1bu9 n ASP 100 Cb 0.00 0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.25 1bu9 n ASP 100 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1bu9 n ASN 101 N 0.00 2.61 0.00 -1.12 2.85 -0.94 -3.92 115.26 114.74 1bu9 n ASN 101 Ca 0.00 -2.29 0.00 0.00 -0.11 0.00 0.00 54.58 52.18 1bu9 n ASN 101 Cb 0.00 -0.48 0.00 0.00 1.24 0.00 0.00 39.78 40.54 1bu9 n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1bu9 n GLU 102 N 0.29 0.00 0.00 1.20 -0.58 -1.26 -5.03 120.64 115.26 1bu9 n GLU 102 Ca 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1bu9 n GLU 102 Cb 0.54 -0.13 0.00 0.00 -0.57 0.00 0.00 31.44 31.28 1bu9 n GLU 102 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bu9 n GLY 103 N 0.00 1.85 3.77 0.62 0.00 -1.25 0.65 105.19 110.84 1bu9 n GLY 103 Ca 0.00 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 1bu9 n GLY 103 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bu9 s ASN 104 N -0.45 6.26 0.51 1.61 0.01 -1.26 -4.25 114.94 117.37 1bu9 s ASN 104 Ca 0.00 2.93 0.08 0.00 -0.71 0.00 0.00 52.86 55.16 1bu9 s ASN 104 Cb 0.00 -2.66 0.04 0.00 0.41 0.00 0.00 41.25 39.04 1bu9 s ASN 104 CO 0.00 -0.92 0.53 -0.76 -1.51 0.00 0.00 177.10 174.44 1bu9 s LEU 105 N -2.27 3.07 0.58 0.60 1.43 -1.26 0.10 118.68 120.93 1bu9 s LEU 105 Ca 0.55 -0.94 0.33 0.00 -1.03 0.00 0.00 54.13 53.04 1bu9 s LEU 105 Cb -0.44 -1.65 1.77 0.00 0.03 0.00 0.00 46.19 45.90 1bu9 s LEU 105 CO 0.59 -1.04 2.17 1.55 0.23 0.00 0.00 176.35 179.85 1bu9 h PRO 106 N 0.64 0.00 -0.46 1.29 0.13 -1.79 0.67 132.00 132.47 1bu9 h PRO 106 Ca -0.36 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.65 1bu9 h PRO 106 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1bu9 h PRO 106 CO 0.51 0.05 -0.19 1.25 -0.23 0.00 0.00 178.00 179.39 1bu9 h LEU 107 N 0.00 0.96 -0.86 1.56 5.85 -1.87 0.80 115.31 121.76 1bu9 h LEU 107 Ca -0.00 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 1bu9 h LEU 107 Cb 0.21 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1bu9 h LEU 107 CO 0.01 1.14 0.35 0.45 -0.34 0.00 0.00 178.44 180.04 1bu9 h HIS 108 N 0.78 1.19 0.34 1.25 3.86 -1.19 -1.71 115.15 119.67 1bu9 h HIS 108 Ca 0.11 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1bu9 h HIS 108 Cb 0.76 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1bu9 h HIS 108 CO 0.05 0.89 -0.16 -0.07 0.86 0.00 0.00 177.93 179.50 1bu9 h LEU 109 N 1.16 -0.39 -1.90 2.43 4.07 -0.60 1.80 115.31 121.89 1bu9 h LEU 109 Ca 0.27 0.01 0.50 0.00 0.08 0.00 0.00 57.88 58.75 1bu9 h LEU 109 Cb 0.17 0.10 -0.08 0.00 1.08 0.00 0.00 40.66 41.93 1bu9 h LEU 109 CO -0.03 -0.16 1.20 0.00 -1.08 0.00 0.00 178.44 178.37 1bu9 h ALA 110 N -1.56 3.52 0.13 1.53 0.00 0.59 2.52 119.26 125.98 1bu9 h ALA 110 Ca -0.05 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.50 1bu9 h ALA 110 Cb 0.35 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1bu9 h ALA 110 CO 0.08 -2.04 -1.71 0.00 0.00 0.00 0.00 179.25 175.57 1bu9 h ALA 111 N 1.20 0.32 -0.40 0.00 0.00 -1.09 0.75 119.26 120.05 1bu9 h ALA 111 Ca 0.84 -1.21 0.08 0.00 0.00 0.00 0.00 54.91 54.62 1bu9 h ALA 111 Cb 3.24 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 21.40 1bu9 h ALA 111 CO -0.08 1.18 -0.10 -0.22 0.00 0.00 0.00 179.25 180.03 1bu9 h LYS 112 N 0.07 -0.00 -0.36 0.00 3.11 1.75 -0.68 116.57 120.47 1bu9 h LYS 112 Ca -0.32 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.46 1bu9 h LYS 112 Cb 2.05 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 33.26 1bu9 h LYS 112 CO 0.14 -0.00 -0.03 0.93 -2.81 0.00 0.00 179.45 177.68 1bu9 h GLU 113 N -0.00 0.65 0.00 1.90 4.39 -1.03 -3.46 114.58 117.03 1bu9 h GLU 113 Ca 0.19 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1bu9 h GLU 113 Cb 0.29 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1bu9 h GLU 113 CO -0.41 0.78 0.00 0.41 -1.16 0.00 0.00 179.01 178.63 1bu9 n GLY 114 N -0.29 0.99 3.37 -3.84 0.00 -0.26 -4.98 105.19 100.18 1bu9 n GLY 114 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1bu9 n GLY 114 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bu9 n HIS 115 N 0.00 0.85 0.00 1.61 8.25 0.26 -4.72 115.22 121.46 1bu9 n HIS 115 Ca 0.00 -0.97 0.00 0.00 -0.26 0.00 0.00 57.72 56.49 1bu9 n HIS 115 Cb 0.00 -1.32 0.00 0.00 1.12 0.00 0.00 29.99 29.79 1bu9 n HIS 115 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1bu9 n LEU 116 N 9.64 0.00 -0.60 2.41 0.00 -1.26 0.60 117.00 127.79 1bu9 n LEU 116 Ca 0.47 0.82 0.48 0.00 0.00 0.00 0.00 56.01 57.78 1bu9 n LEU 116 Cb 0.42 -0.32 0.80 0.00 0.00 0.00 0.00 43.42 44.32 1bu9 n LEU 116 CO 1.07 -0.32 1.44 0.08 0.00 0.00 0.00 177.39 179.66 1bu9 h ARG 117 N 0.00 0.01 0.00 1.96 -0.00 -1.95 1.45 114.38 115.85 1bu9 h ARG 117 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1bu9 h ARG 117 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 1bu9 h ARG 117 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 179.97 180.25 1bu9 n VAL 118 N -4.05 0.00 -0.28 0.08 0.31 -0.51 -2.69 118.33 111.20 1bu9 n VAL 118 Ca 0.39 0.66 0.25 0.00 -0.01 0.00 0.00 64.34 65.63 1bu9 n VAL 118 Cb 1.79 -1.37 0.58 0.00 -0.91 0.00 0.00 33.84 33.93 1bu9 n VAL 118 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1bu9 h VAL 119 N 0.00 0.54 -1.03 2.52 2.07 0.12 1.53 116.25 122.01 1bu9 h VAL 119 Ca 0.00 -0.09 0.28 0.00 0.82 0.00 0.00 66.70 67.71 1bu9 h VAL 119 Cb 0.00 0.25 -0.12 0.00 -1.52 0.00 0.00 31.29 29.89 1bu9 h VAL 119 CO 0.00 0.05 0.62 -0.08 0.02 0.00 0.00 177.57 178.18 1bu9 h GLU 120 N 0.27 0.43 -0.24 1.57 4.22 0.19 0.79 114.58 121.83 1bu9 h GLU 120 Ca 0.54 -0.03 -0.07 0.00 0.08 0.00 0.00 59.36 59.88 1bu9 h GLU 120 Cb 1.58 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 1bu9 h GLU 120 CO -0.18 0.29 -0.14 0.35 -2.18 0.00 0.00 179.01 177.15 1bu9 h PHE 121 N 0.45 0.60 -0.96 0.92 3.04 0.24 -2.87 116.94 118.36 1bu9 h PHE 121 Ca 0.67 -0.16 0.28 0.00 3.98 0.00 0.00 57.97 62.75 1bu9 h PHE 121 Cb 1.48 -0.14 -0.14 0.00 2.56 0.00 0.00 35.95 39.71 1bu9 h PHE 121 CO -0.01 0.80 0.47 -0.07 -2.02 0.00 0.00 178.31 177.48 1bu9 h LEU 122 N 0.23 0.38 -1.13 0.59 -0.00 0.75 1.64 115.31 117.77 1bu9 h LEU 122 Ca 0.05 0.19 -0.08 0.00 -0.00 0.00 0.00 57.88 58.04 1bu9 h LEU 122 Cb 0.65 0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.46 1bu9 h LEU 122 CO 0.04 -0.11 -0.38 1.62 -0.00 0.00 0.00 178.44 179.61 1bu9 h VAL 123 N 0.33 1.04 -1.96 1.22 3.04 -1.14 -3.35 116.25 115.43 1bu9 h VAL 123 Ca 0.67 -1.41 -0.46 0.00 -1.01 0.00 0.00 66.70 64.48 1bu9 h VAL 123 Cb 1.44 1.81 -0.01 0.00 -2.01 0.00 0.00 31.29 32.53 1bu9 h VAL 123 CO -0.60 0.37 -0.40 -0.54 -1.01 0.00 0.00 177.57 175.39 1bu9 s LYS 124 N -3.86 3.14 0.00 4.17 3.01 0.56 -4.34 119.74 122.42 1bu9 s LYS 124 Ca -0.01 -0.98 0.00 0.00 -1.01 0.00 0.00 55.97 53.96 1bu9 s LYS 124 Cb 0.13 -2.77 0.00 0.00 -1.01 0.00 0.00 37.83 34.18 1bu9 s LYS 124 CO 0.70 0.21 0.00 0.72 0.51 0.00 0.00 175.35 177.48 1bu9 n HIS 125 N -1.49 0.00 -2.98 3.18 8.25 -1.26 -4.84 115.22 116.08 1bu9 n HIS 125 Ca -0.04 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.37 1bu9 n HIS 125 Cb 0.58 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.71 1bu9 n HIS 125 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1bu9 n THR 126 N 0.00 0.00 0.22 1.59 -2.24 -1.26 -4.97 114.28 107.62 1bu9 n THR 126 Ca 0.00 -0.52 0.04 0.00 -2.27 0.00 0.00 64.05 61.30 1bu9 n THR 126 Cb 0.00 -0.89 0.18 0.00 -2.10 0.00 0.00 70.33 67.53 1bu9 n THR 126 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bu9 n ALA 127 N -2.83 3.06 -0.98 6.98 0.00 -1.26 -4.94 120.51 120.54 1bu9 n ALA 127 Ca -0.04 -0.85 0.10 0.00 0.00 0.00 0.00 53.44 52.65 1bu9 n ALA 127 Cb 0.16 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 1bu9 n ALA 127 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bu9 n SER 128 N 0.32 -4.54 -2.19 0.00 7.64 -1.26 -4.57 113.62 109.02 1bu9 n SER 128 Ca 0.13 0.52 -0.26 0.00 1.01 0.00 0.00 58.87 60.27 1bu9 n SER 128 Cb 0.64 -3.12 0.02 0.00 -1.01 0.00 0.00 64.21 60.74 1bu9 n SER 128 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1bu9 n ASN 129 N -4.21 5.10 -4.21 6.43 6.94 -1.26 -4.87 115.26 119.19 1bu9 n ASN 129 Ca -0.02 -3.75 -0.10 0.00 -0.02 0.00 0.00 54.58 50.69 1bu9 n ASN 129 Cb 0.60 -0.43 -0.06 0.00 -2.36 0.00 0.00 39.78 37.52 1bu9 n ASN 129 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1bu9 n VAL 130 N -0.65 0.00 0.00 3.53 0.24 -1.26 0.13 118.33 120.31 1bu9 n VAL 130 Ca 0.44 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.51 1bu9 n VAL 130 Cb 0.84 -1.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 1bu9 n VAL 130 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bu9 n GLY 131 N 5.19 1.30 3.55 7.63 0.00 -0.99 -4.80 105.19 117.08 1bu9 n GLY 131 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 1bu9 n GLY 131 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bu9 n HIS 132 N -0.04 0.70 -2.45 1.61 -0.00 0.34 -4.87 115.22 110.52 1bu9 n HIS 132 Ca 0.00 -0.33 -0.42 0.00 -0.00 0.00 0.00 57.72 56.97 1bu9 n HIS 132 Cb 0.00 -2.04 -0.03 0.00 -0.00 0.00 0.00 29.99 27.92 1bu9 n HIS 132 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1bu9 s ARG 133 N 7.99 4.39 0.00 1.57 0.52 -1.26 -3.12 118.95 129.03 1bu9 s ARG 133 Ca 0.77 1.71 0.00 0.00 -0.52 0.00 0.00 55.73 57.69 1bu9 s ARG 133 Cb 0.01 -3.48 0.00 0.00 0.52 0.00 0.00 34.95 32.00 1bu9 s ARG 133 CO 0.24 -0.37 0.00 0.27 0.02 0.00 0.00 175.30 175.46 1bu9 n ASN 134 N 4.72 0.00 0.11 0.23 6.94 -1.19 -4.44 115.26 121.64 1bu9 n ASN 134 Ca 0.10 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.53 1bu9 n ASN 134 Cb 0.46 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.82 1bu9 n ASN 134 CO 0.00 0.00 0.00 0.45 -1.03 0.00 0.00 177.26 176.68 1bu9 h HIS 135 N -0.51 -0.42 0.02 -2.53 3.86 -0.06 -2.38 115.15 113.13 1bu9 h HIS 135 Ca 0.00 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.00 1bu9 h HIS 135 Cb 0.00 0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1bu9 h HIS 135 CO 0.00 -0.24 -0.95 -0.22 0.86 0.00 0.00 177.93 177.38 1bu9 h LYS 136 N -0.33 0.19 0.00 2.45 3.64 -1.88 -3.47 116.57 117.17 1bu9 h LYS 136 Ca 0.01 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1bu9 h LYS 136 Cb 0.33 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1bu9 h LYS 136 CO -0.06 1.01 0.00 0.41 -2.27 0.00 0.00 179.45 178.53 1bu9 n GLY 137 N 1.04 0.52 3.57 5.01 0.00 -0.90 -4.40 105.19 110.03 1bu9 n GLY 137 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1bu9 n GLY 137 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bu9 s ASP 138 N -0.58 4.66 1.00 1.61 1.01 -1.26 -3.64 116.67 119.48 1bu9 s ASP 138 Ca 0.00 -1.14 -0.08 0.00 0.71 0.00 0.00 52.55 52.03 1bu9 s ASP 138 Cb 0.00 -2.58 0.13 0.00 1.01 0.00 0.00 42.92 41.48 1bu9 s ASP 138 CO 0.00 -3.38 0.30 0.35 0.21 0.00 0.00 175.17 172.65 1bu9 n THR 139 N 8.14 0.00 0.39 -1.27 -2.24 -1.25 -3.15 114.28 114.89 1bu9 n THR 139 Ca 0.43 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.25 1bu9 n THR 139 Cb 0.46 -0.34 0.20 0.00 -2.10 0.00 0.00 70.33 68.55 1bu9 n THR 139 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bu9 n ALA 140 N -3.62 1.65 -0.07 6.98 0.00 -1.18 -1.83 120.51 122.44 1bu9 n ALA 140 Ca -0.07 -0.04 -0.18 0.00 0.00 0.00 0.00 53.44 53.15 1bu9 n ALA 140 Cb 0.21 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.41 1bu9 n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bu9 n ASP 142 N -3.30 0.45 -0.01 0.00 -0.08 -0.76 -0.84 116.55 112.01 1bu9 n ASP 142 Ca -0.37 0.65 -0.01 0.00 -1.51 0.00 0.00 54.79 53.55 1bu9 n ASP 142 Cb 1.03 -0.73 -0.00 0.00 2.34 0.00 0.00 41.12 43.76 1bu9 n ASP 142 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1bu9 n LEU 143 N -2.04 0.36 0.19 -2.67 4.77 -1.10 -2.55 117.00 113.97 1bu9 n LEU 143 Ca 0.01 0.33 0.12 0.00 -0.03 0.00 0.00 56.01 56.44 1bu9 n LEU 143 Cb 0.13 -0.58 0.64 0.00 -2.33 0.00 0.00 43.42 41.29 1bu9 n LEU 143 CO 0.13 -0.50 0.88 0.00 -1.33 0.00 0.00 177.39 176.58 1bu9 h ALA 144 N -1.80 1.05 0.00 -1.18 0.00 -1.54 -2.40 119.26 113.39 1bu9 h ALA 144 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1bu9 h ALA 144 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1bu9 h ALA 144 CO 0.00 -0.05 -0.39 -0.09 0.00 0.00 0.00 179.25 178.72 1bu9 h ARG 145 N 0.00 0.00 -0.95 0.00 2.43 -1.12 -2.57 114.38 112.16 1bu9 h ARG 145 Ca 0.00 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1bu9 h ARG 145 Cb 0.13 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.63 1bu9 h ARG 145 CO 0.00 0.38 0.62 -0.07 -1.51 0.00 0.00 179.97 179.40 1bu9 h LEU 146 N -1.00 1.02 0.00 3.80 3.38 -1.21 -0.06 115.31 121.23 1bu9 h LEU 146 Ca -0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1bu9 h LEU 146 Cb 0.59 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1bu9 h LEU 146 CO -0.04 0.68 0.00 -1.22 0.09 0.00 0.00 178.44 177.95 1bu9 n TYR 147 N -4.46 0.00 0.00 1.13 4.01 -0.93 -4.90 117.16 112.01 1bu9 n TYR 147 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 1bu9 n TYR 147 Cb 0.13 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 38.89 1bu9 n TYR 147 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bu9 n GLY 148 N 0.42 2.92 2.34 2.72 0.00 -0.04 -5.01 105.19 108.54 1bu9 n GLY 148 Ca 0.10 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 1bu9 n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bu9 n ARG 149 N 0.00 0.00 -0.10 1.61 5.12 -0.97 -4.77 116.66 117.55 1bu9 n ARG 149 Ca 0.00 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.70 1bu9 n ARG 149 Cb 0.00 -1.01 -0.12 0.00 -1.16 0.00 0.00 32.46 30.18 1bu9 n ARG 149 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1bu9 n ASN 150 N 6.96 1.89 -0.19 0.55 0.23 -1.26 -2.56 115.26 120.88 1bu9 n ASN 150 Ca 0.44 0.40 0.30 0.00 -0.53 0.00 0.00 54.58 55.19 1bu9 n ASN 150 Cb 0.02 -0.95 0.69 0.00 -2.08 0.00 0.00 39.78 37.46 1bu9 n ASN 150 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1bu9 h GLU 151 N -0.90 0.00 0.20 -3.83 4.39 -1.93 2.89 114.58 115.40 1bu9 h GLU 151 Ca -0.37 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.03 1bu9 h GLU 151 Cb 1.39 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 30.07 1bu9 h GLU 151 CO -0.19 0.00 -1.31 0.28 -1.16 0.00 0.00 179.01 176.62 1bu9 h VAL 152 N 0.00 1.32 0.76 3.13 2.07 -1.90 -1.42 116.25 120.21 1bu9 h VAL 152 Ca 0.45 -2.60 -0.04 0.00 0.82 0.00 0.00 66.70 65.33 1bu9 h VAL 152 Cb 2.11 2.97 0.01 0.00 -1.52 0.00 0.00 31.29 34.86 1bu9 h VAL 152 CO -0.00 0.78 -0.37 0.58 0.02 0.00 0.00 177.57 178.58 1bu9 h VAL 153 N 0.10 0.00 -0.91 2.57 2.07 0.47 -2.79 116.25 117.77 1bu9 h VAL 153 Ca -0.22 -0.24 0.18 0.00 0.82 0.00 0.00 66.70 67.23 1bu9 h VAL 153 Cb 2.02 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 1bu9 h VAL 153 CO 0.25 0.00 0.59 0.28 0.02 0.00 0.00 177.57 178.71 1bu9 h SER 154 N -1.27 0.56 -0.70 0.57 0.02 0.19 1.06 113.55 114.00 1bu9 h SER 154 Ca -0.10 0.05 0.14 0.00 -0.84 0.00 0.00 61.79 61.04 1bu9 h SER 154 Cb 0.78 -0.06 -0.13 0.00 0.14 0.00 0.00 62.40 63.14 1bu9 h SER 154 CO 0.17 0.25 -0.12 0.25 -1.14 0.00 0.00 176.83 176.24 1bu9 h LEU 155 N 0.58 -0.55 0.00 5.07 7.12 -0.98 1.74 115.31 128.29 1bu9 h LEU 155 Ca 0.47 0.20 -0.21 0.00 0.13 0.00 0.00 57.88 58.47 1bu9 h LEU 155 Cb 0.94 0.40 -0.03 0.00 -0.53 0.00 0.00 40.66 41.43 1bu9 h LEU 155 CO -0.22 -0.21 -1.17 0.24 -0.13 0.00 0.00 178.44 176.95 1bu9 h MET 156 N 0.03 0.00 -0.78 1.25 2.86 -0.76 -2.42 114.93 115.10 1bu9 h MET 156 Ca 0.35 -0.00 0.16 0.00 -2.06 0.00 0.00 59.70 58.14 1bu9 h MET 156 Cb 0.55 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.11 1bu9 h MET 156 CO -0.69 1.00 0.31 1.96 1.06 0.00 0.00 176.91 180.56 1bu9 h GLN 157 N -0.99 0.42 -0.04 1.72 4.20 0.13 0.04 115.11 120.59 1bu9 h GLN 157 Ca -0.32 -0.03 -0.23 0.00 0.06 0.00 0.00 58.65 58.13 1bu9 h GLN 157 Cb 1.29 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.98 1bu9 h GLN 157 CO -0.19 0.28 -0.91 0.00 -0.67 0.00 0.00 178.83 177.33 1bu9 h ALA 158 N 1.58 0.31 -0.15 3.87 0.00 0.25 -3.22 119.26 121.90 1bu9 h ALA 158 Ca 0.44 -0.67 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1bu9 h ALA 158 Cb 0.70 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1bu9 h ALA 158 CO -0.43 0.74 0.10 0.09 0.00 0.00 0.00 179.25 179.75 1bu9 n ASN 159 N -3.83 5.69 -3.06 0.00 5.03 -0.04 -4.87 115.26 114.19 1bu9 n ASN 159 Ca -0.08 -2.62 -0.00 0.00 0.87 0.00 0.00 54.58 52.74 1bu9 n ASN 159 Cb 0.81 -1.13 -0.00 0.00 -1.02 0.00 0.00 39.78 38.44 1bu9 n ASN 159 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1bu9 n GLY 160 N 1.23 -0.96 0.00 7.41 0.00 -0.97 -4.85 105.19 107.05 1bu9 n GLY 160 Ca 0.13 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1bu9 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bu9 n ALA 161 N 1.57 0.00 -1.55 4.61 0.00 -0.96 -4.61 120.51 119.57 1bu9 n ALA 161 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.04 1bu9 n ALA 161 Cb 0.31 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.73 1bu9 n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bu9 n GLY 162 N 0.00 0.28 0.03 0.00 0.00 -1.13 -2.33 105.19 102.03 1bu9 n GLY 162 Ca 0.00 0.69 -0.00 0.00 0.00 0.00 0.00 46.02 46.71 1bu9 n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bu9 n GLY 163 N 6.00 -2.64 3.04 -0.02 0.00 -1.26 -4.80 105.19 105.51 1bu9 n GLY 163 Ca 0.37 -1.42 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 1bu9 n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bu9 s ALA 164 N -2.84 0.28 0.00 4.61 0.00 -1.26 -4.94 121.76 117.60 1bu9 s ALA 164 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1bu9 s ALA 164 Cb -0.00 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1bu9 s ALA 164 CO 0.00 -0.26 0.00 0.25 0.00 0.00 0.00 175.76 175.75 1bu9 n THR 165 N 0.89 0.00 -3.52 0.00 -2.24 -1.26 -4.87 114.28 103.28 1bu9 n THR 165 Ca -0.19 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.48 1bu9 n THR 165 Cb 0.58 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 1bu9 n THR 165 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1bu9 s ASN 166 N -4.00 -0.42 0.21 3.42 3.84 -1.26 -4.94 114.94 111.79 1bu9 s ASN 166 Ca 0.00 -0.15 0.00 0.00 0.21 0.00 0.00 52.86 52.92 1bu9 s ASN 166 Cb 0.00 0.55 0.00 0.00 -0.55 0.00 0.00 41.25 41.25 1bu9 s ASN 166 CO 0.00 -0.93 0.00 0.18 -2.79 0.00 0.00 177.10 173.56 1bu9 n LEU 167 N -0.31 -0.44 0.00 3.21 4.32 -1.26 -5.14 117.00 117.37 1bu9 n LEU 167 Ca -0.16 0.98 0.00 0.00 -0.02 0.00 0.00 56.01 56.81 1bu9 n LEU 167 Cb 0.64 -2.94 0.00 0.00 -1.62 0.00 0.00 43.42 39.51 1bu9 n LEU 167 CO 0.14 -2.36 0.00 0.00 -1.22 0.00 0.00 177.39 173.96