#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vju s VAL 5 N 0.00 5.29 -0.40 0.00 1.01 -1.26 -5.03 120.40 120.00 2vju s VAL 5 Ca 0.00 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.02 2vju s VAL 5 Cb 0.00 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.83 2vju s VAL 5 CO 0.00 0.24 0.68 -0.22 0.00 0.00 0.00 175.10 175.79 2vju s LEU 6 N 1.78 4.32 0.08 3.92 0.20 -1.26 -5.05 118.68 122.68 2vju s LEU 6 Ca 0.09 -0.04 -0.18 0.00 0.69 0.00 0.00 54.13 54.68 2vju s LEU 6 Cb -0.16 -2.82 -0.07 0.00 -0.43 0.00 0.00 46.19 42.72 2vju s LEU 6 CO 0.10 -0.72 0.56 -0.31 -0.29 0.00 0.00 176.35 175.69 2vju s TYR 7 N 2.88 3.78 0.57 5.38 2.02 -1.26 -4.88 117.35 125.83 2vju s TYR 7 Ca 0.25 1.23 0.08 0.00 -0.37 0.00 0.00 57.07 58.26 2vju s TYR 7 Cb -0.14 -2.47 0.08 0.00 -0.40 0.00 0.00 41.96 39.03 2vju s TYR 7 CO 0.18 0.57 0.63 1.63 -1.57 0.00 0.00 175.55 176.99 2vju n LYS 8 N 1.60 0.64 -3.62 -0.62 5.02 -0.04 -4.87 118.16 116.28 2vju n LYS 8 Ca -0.10 -3.26 -0.12 0.00 -2.02 0.00 0.00 58.31 52.81 2vju n LYS 8 Cb 0.51 0.02 -0.07 0.00 -0.02 0.00 0.00 35.03 35.47 2vju n LYS 8 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2vju s SER 9 N -4.44 -0.58 0.00 4.39 1.04 -1.26 0.03 113.70 112.88 2vju s SER 9 Ca 0.48 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.95 2vju s SER 9 Cb -0.04 1.02 0.00 0.00 0.10 0.00 0.00 66.02 67.10 2vju s SER 9 CO 0.31 -0.26 0.00 -0.46 0.98 0.00 0.00 173.24 173.81 2vju n ASN 10 N 2.11 0.00 0.17 7.02 0.23 -0.89 -4.97 115.26 118.92 2vju n ASN 10 Ca -0.14 0.00 0.01 0.00 -0.53 0.00 0.00 54.58 53.93 2vju n ASN 10 Cb 0.56 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.55 2vju n ASN 10 CO 0.00 0.00 0.00 0.45 -0.93 0.00 0.00 177.26 176.78 2vju h HIS 11 N 0.00 0.00 0.00 -2.53 3.86 -2.05 -3.36 115.15 111.06 2vju h HIS 11 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2vju h HIS 11 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2vju h HIS 11 CO 0.00 0.47 0.00 0.09 0.86 0.00 0.00 177.93 179.35 2vju n ASN 12 N -3.93 0.26 -3.98 2.45 3.02 -1.26 -5.05 115.26 106.77 2vju n ASN 12 Ca -0.01 -0.59 -0.23 0.00 -0.03 0.00 0.00 54.58 53.71 2vju n ASN 12 Cb 0.50 0.55 -0.16 0.00 -0.61 0.00 0.00 39.78 40.05 2vju n ASN 12 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2vju s VAL 13 N -0.55 0.93 -0.12 2.41 1.01 -1.26 -5.11 120.40 117.71 2vju s VAL 13 Ca 0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 2vju s VAL 13 Cb 0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 2vju s VAL 13 CO 0.00 0.31 0.37 -0.69 0.00 0.00 0.00 175.10 175.08 2vju s VAL 14 N 0.69 5.23 0.22 2.92 1.01 -1.26 -2.10 120.40 127.10 2vju s VAL 14 Ca -0.13 0.72 -0.19 0.00 0.00 0.00 0.00 61.98 62.38 2vju s VAL 14 Cb -0.15 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.56 2vju s VAL 14 CO 0.02 0.41 0.59 -0.72 0.00 0.00 0.00 175.10 175.40 2vju s TYR 15 N 0.19 -0.13 -0.30 5.22 -0.85 0.10 -4.96 117.35 116.64 2vju s TYR 15 Ca 0.21 -0.24 0.02 0.00 -0.52 0.00 0.00 57.07 56.54 2vju s TYR 15 Cb -0.14 0.48 0.16 0.00 0.38 0.00 0.00 41.96 42.84 2vju s TYR 15 CO 0.08 -1.02 0.42 0.45 -1.52 0.00 0.00 175.55 173.96 2vju s SER 16 N -2.89 0.25 -0.30 -0.18 0.15 -1.26 -0.86 113.70 108.61 2vju s SER 16 Ca 0.10 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.38 2vju s SER 16 Cb -0.02 1.16 0.08 0.00 -1.71 0.00 0.00 66.02 65.53 2vju s SER 16 CO 0.00 -0.34 -0.01 0.00 1.20 0.00 0.00 173.24 174.09 2vju s LYS 18 N 1.13 3.25 0.03 0.00 1.02 -1.25 -0.86 119.74 123.06 2vju s LYS 18 Ca 0.02 -0.63 0.06 0.00 0.02 0.00 0.00 55.97 55.44 2vju s LYS 18 Cb -0.19 -2.66 -0.02 0.00 -0.52 0.00 0.00 37.83 34.44 2vju s LYS 18 CO -0.09 0.33 -0.17 0.71 -0.92 0.00 0.00 175.35 175.22 2vju s TYR 19 N 0.05 1.48 -0.42 3.18 1.51 0.24 -1.53 117.35 121.87 2vju s TYR 19 Ca -0.03 -0.34 -0.14 0.00 -1.01 0.00 0.00 57.07 55.54 2vju s TYR 19 Cb -0.14 -0.89 0.04 0.00 -0.11 0.00 0.00 41.96 40.85 2vju s TYR 19 CO 0.04 0.04 0.30 -1.58 -1.11 0.00 0.00 175.55 173.25 2vju s HIS 20 N -0.73 3.25 -0.13 2.71 5.65 0.12 -1.53 115.29 124.63 2vju s HIS 20 Ca 0.05 -0.83 -0.03 0.00 0.25 0.00 0.00 55.06 54.50 2vju s HIS 20 Cb -0.08 -2.74 -0.03 0.00 -1.18 0.00 0.00 32.58 28.55 2vju s HIS 20 CO 0.01 -0.68 -0.01 0.42 -0.65 0.00 0.00 174.74 173.83 2vju s ILE 21 N 1.63 4.16 -0.01 0.89 1.01 0.11 -1.54 121.20 127.46 2vju s ILE 21 Ca 0.04 -0.28 -0.00 0.00 0.00 0.00 0.00 60.65 60.41 2vju s ILE 21 Cb -0.21 -2.80 0.01 0.00 0.01 0.00 0.00 42.46 39.47 2vju s ILE 21 CO 0.08 0.53 0.01 -0.69 0.00 0.00 0.00 174.94 174.87 2vju s VAL 22 N -0.15 -0.02 0.17 2.92 1.01 0.31 -0.68 120.40 123.96 2vju s VAL 22 Ca 0.04 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 2vju s VAL 22 Cb -0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 2vju s VAL 22 CO 0.02 0.03 0.29 -1.66 0.00 0.00 0.00 175.10 173.78 2vju s TRP 23 N 0.31 0.39 0.11 5.22 -2.14 -1.14 0.68 118.94 122.37 2vju s TRP 23 Ca -0.03 -0.75 0.04 0.00 2.66 0.00 0.00 56.10 58.02 2vju s TRP 23 Cb -0.04 -0.04 -0.04 0.00 -3.10 0.00 0.00 33.47 30.25 2vju s TRP 23 CO -0.01 -0.73 -0.10 0.00 -2.66 0.00 0.00 176.95 173.46 2vju s PRO 25 N -3.13 1.22 0.44 0.00 0.02 -1.26 -3.70 135.00 128.60 2vju s PRO 25 Ca 0.09 1.36 -0.25 0.00 0.02 0.00 0.00 61.00 62.21 2vju s PRO 25 Cb -0.01 -1.76 -0.09 0.00 0.02 0.00 0.00 34.50 32.66 2vju s PRO 25 CO -0.01 -2.43 1.41 1.17 -0.33 0.00 0.00 177.00 176.82 2vju n LYS 26 N -4.08 2.22 -1.62 5.54 3.00 0.82 -1.22 118.16 122.82 2vju n LYS 26 Ca 0.10 0.79 -0.19 0.00 -0.00 0.00 0.00 58.31 59.01 2vju n LYS 26 Cb 0.53 -2.59 -0.07 0.00 0.00 0.00 0.00 35.03 32.90 2vju n LYS 26 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2vju n TYR 27 N -0.17 -0.20 -3.45 5.64 0.53 -1.26 -2.32 117.16 115.93 2vju n TYR 27 Ca 0.05 0.00 -0.24 0.00 -1.02 0.00 0.00 57.90 56.69 2vju n TYR 27 Cb 0.41 -3.26 -0.01 0.00 -1.03 0.00 0.00 39.34 35.45 2vju n TYR 27 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71 2vju n ARG 28 N -2.30 -3.18 -2.12 -0.72 0.63 -0.36 -4.89 116.66 103.73 2vju n ARG 28 Ca -0.19 0.42 -0.39 0.00 -0.92 0.00 0.00 57.85 56.77 2vju n ARG 28 Cb 0.62 -5.11 -0.01 0.00 0.45 0.00 0.00 32.46 28.41 2vju n ARG 28 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2vju s ARG 29 N -6.10 3.94 -0.76 -0.14 1.81 -0.98 -4.86 118.95 111.86 2vju s ARG 29 Ca 0.43 2.05 -0.06 0.00 -1.72 0.00 0.00 55.73 56.43 2vju s ARG 29 Cb -0.23 -2.69 -0.04 0.00 -0.45 0.00 0.00 34.95 31.53 2vju s ARG 29 CO 0.53 -0.48 2.95 1.63 -0.68 0.00 0.00 175.30 179.25 2vju n LYS 30 N 0.02 3.06 0.00 3.54 5.02 -1.26 -4.44 118.16 124.11 2vju n LYS 30 Ca 0.04 -2.21 0.12 0.00 -2.02 0.00 0.00 58.31 54.24 2vju n LYS 30 Cb 0.45 -2.35 0.26 0.00 -0.02 0.00 0.00 35.03 33.37 2vju n LYS 30 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2vju n VAL 31 N 2.03 0.00 -1.62 -0.18 0.24 -1.00 -4.59 118.33 113.21 2vju n VAL 31 Ca 0.56 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.34 62.43 2vju n VAL 31 Cb 0.52 0.28 -0.01 0.00 -1.47 0.00 0.00 33.84 33.16 2vju n VAL 31 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2vju n LEU 32 N -1.40 7.00 -4.23 1.34 4.77 -0.16 -4.64 117.00 119.67 2vju n LEU 32 Ca 0.06 -4.09 -0.15 0.00 -0.03 0.00 0.00 56.01 51.80 2vju n LEU 32 Cb 0.34 -1.61 -0.09 0.00 -2.33 0.00 0.00 43.42 39.73 2vju n LEU 32 CO 0.34 1.18 -0.19 0.68 -1.33 0.00 0.00 177.39 178.07 2vju s VAL 33 N 3.14 0.01 0.00 4.08 -7.23 -1.26 -3.38 120.40 115.76 2vju s VAL 33 Ca 0.51 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2vju s VAL 33 Cb 0.15 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.59 2vju s VAL 33 CO -0.07 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.33 2vju n GLY 34 N -0.41 2.93 0.27 2.32 0.00 -1.26 -0.93 105.19 108.10 2vju n GLY 34 Ca 0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 2vju n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vju h ALA 35 N -0.35 0.98 -0.90 4.61 0.00 -1.99 -2.14 119.26 119.47 2vju h ALA 35 Ca 0.00 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.64 2vju h ALA 35 Cb 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2vju h ALA 35 CO 0.00 0.60 0.58 0.28 0.00 0.00 0.00 179.25 180.71 2vju h VAL 36 N 0.71 1.10 -0.16 0.00 2.07 -1.61 0.86 116.25 119.22 2vju h VAL 36 Ca 0.12 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 2vju h VAL 36 Cb 0.60 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2vju h VAL 36 CO 0.04 0.20 -0.14 -0.08 0.02 0.00 0.00 177.57 177.60 2vju h GLU 37 N 1.09 0.37 -0.77 1.57 4.81 -0.77 -0.88 114.58 120.00 2vju h GLU 37 Ca 0.38 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2vju h GLU 37 Cb 0.08 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 2vju h GLU 37 CO -0.14 0.74 0.45 1.98 -0.73 0.00 0.00 179.01 181.30 2vju h MET 38 N 0.01 1.06 -0.34 1.92 4.05 -0.95 -1.88 114.93 118.80 2vju h MET 38 Ca 0.03 -0.11 -0.14 0.00 -0.28 0.00 0.00 59.70 59.19 2vju h MET 38 Cb 0.67 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 31.25 2vju h MET 38 CO 0.04 0.77 -0.35 0.00 0.23 0.00 0.00 176.91 177.59 2vju h ARG 39 N 1.06 0.84 -0.58 0.39 2.47 -0.82 -2.41 114.38 115.32 2vju h ARG 39 Ca 0.27 -0.45 0.09 0.00 -1.26 0.00 0.00 59.98 58.64 2vju h ARG 39 Cb -0.01 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.26 2vju h ARG 39 CO -0.05 1.08 0.20 1.25 0.56 0.00 0.00 179.97 183.02 2vju h LEU 40 N 0.62 0.18 -0.80 3.04 5.85 -0.77 0.43 115.31 123.87 2vju h LEU 40 Ca 0.05 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 2vju h LEU 40 Cb 0.94 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 2vju h LEU 40 CO 0.09 0.11 -0.16 0.11 -0.34 0.00 0.00 178.44 178.25 2vju h LYS 41 N 0.37 0.74 -0.18 1.25 1.57 -1.25 -2.07 116.57 117.00 2vju h LYS 41 Ca 0.29 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2vju h LYS 41 Cb 0.36 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2vju h LYS 41 CO -0.30 0.85 -0.02 0.93 -0.57 0.00 0.00 179.45 180.34 2vju h GLU 42 N 0.66 0.33 -0.62 3.15 5.08 -0.78 -1.31 114.58 121.09 2vju h GLU 42 Ca 0.10 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2vju h GLU 42 Cb 0.64 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 2vju h GLU 42 CO 0.04 0.56 0.37 0.82 -1.00 0.00 0.00 179.01 179.80 2vju h ILE 43 N 0.06 1.05 -0.61 3.13 2.04 -0.89 -0.49 117.51 121.80 2vju h ILE 43 Ca 0.05 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.57 2vju h ILE 43 Cb 0.43 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2vju h ILE 43 CO 0.01 0.13 0.02 0.40 0.00 0.00 0.00 178.15 178.72 2vju h ILE 44 N 0.72 1.27 -0.27 -0.67 2.04 -1.27 -1.38 117.51 117.94 2vju h ILE 44 Ca 0.25 -1.12 0.03 0.00 1.00 0.00 0.00 64.86 65.02 2vju h ILE 44 Cb 0.06 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2vju h ILE 44 CO -0.12 0.41 0.09 1.56 0.00 0.00 0.00 178.15 180.09 2vju h GLN 45 N 0.96 0.20 -0.05 2.37 1.08 -0.53 0.64 115.11 119.78 2vju h GLN 45 Ca 0.17 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.40 2vju h GLN 45 Cb 0.53 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.86 2vju h GLN 45 CO 0.03 0.14 -0.31 0.93 -0.95 0.00 0.00 178.83 178.66 2vju h GLU 46 N 0.21 -0.42 -0.60 1.46 5.08 -0.73 -0.66 114.58 118.93 2vju h GLU 46 Ca 0.12 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.59 2vju h GLU 46 Cb 0.09 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 2vju h GLU 46 CO -0.12 -0.28 0.23 0.28 -1.00 0.00 0.00 179.01 178.12 2vju h VAL 47 N -0.43 0.80 -0.79 3.13 2.07 -0.79 -0.65 116.25 119.59 2vju h VAL 47 Ca 0.07 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2vju h VAL 47 Cb 0.54 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 2vju h VAL 47 CO -0.29 0.08 0.49 0.00 0.02 0.00 0.00 177.57 177.86 2vju h ALA 48 N 1.40 1.01 -0.30 1.67 0.00 -0.27 0.21 119.26 122.97 2vju h ALA 48 Ca 0.30 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2vju h ALA 48 Cb 0.34 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2vju h ALA 48 CO -0.29 0.46 0.02 -0.22 0.00 0.00 0.00 179.25 179.23 2vju h LYS 49 N 1.08 0.51 0.00 0.00 3.64 -0.35 0.40 116.57 121.86 2vju h LYS 49 Ca 0.29 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2vju h LYS 49 Cb -0.06 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2vju h LYS 49 CO -0.06 0.64 -0.29 0.93 -2.27 0.00 0.00 179.45 178.40 2vju h GLU 50 N 0.32 0.00 -0.65 1.90 5.08 -0.63 -2.78 114.58 117.82 2vju h GLU 50 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2vju h GLU 50 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2vju h GLU 50 CO 0.01 0.29 0.00 1.28 -1.00 0.00 0.00 179.01 179.59 2vju n LEU 51 N -4.16 4.98 -2.98 1.33 4.32 0.68 -4.94 117.00 116.23 2vju n LEU 51 Ca -0.02 -2.52 -0.20 0.00 -0.02 0.00 0.00 56.01 53.25 2vju n LEU 51 Cb 0.34 -0.60 0.01 0.00 -1.62 0.00 0.00 43.42 41.54 2vju n LEU 51 CO 0.38 0.79 -0.07 0.54 -1.22 0.00 0.00 177.39 177.81 2vju n ARG 52 N 1.09 -3.42 -3.84 3.23 1.74 -0.54 -4.94 116.66 109.98 2vju n ARG 52 Ca 0.27 0.66 -0.35 0.00 -0.77 0.00 0.00 57.85 57.65 2vju n ARG 52 Cb 0.95 -5.38 -0.10 0.00 -1.02 0.00 0.00 32.46 26.91 2vju n ARG 52 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2vju s VAL 53 N -2.93 4.98 -0.17 1.55 1.01 0.13 -4.78 120.40 120.19 2vju s VAL 53 Ca 0.25 0.04 -0.22 0.00 0.00 0.00 0.00 61.98 62.04 2vju s VAL 53 Cb -0.12 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 2vju s VAL 53 CO 0.31 0.41 0.69 -0.70 0.00 0.00 0.00 175.10 175.81 2vju s GLU 54 N 0.71 4.26 -0.57 2.72 2.12 -0.98 -4.32 118.70 122.64 2vju s GLU 54 Ca 0.05 0.76 -0.18 0.00 0.36 0.00 0.00 54.97 55.96 2vju s GLU 54 Cb -0.13 -3.56 0.12 0.00 0.26 0.00 0.00 34.13 30.82 2vju s GLU 54 CO 0.02 -0.23 0.62 0.42 -0.54 0.00 0.00 175.26 175.55 2vju s ILE 55 N 1.84 4.99 0.17 -3.70 1.01 -1.26 -0.58 121.20 123.67 2vju s ILE 55 Ca 0.32 -1.22 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 2vju s ILE 55 Cb -0.16 -4.43 -0.09 0.00 0.01 0.00 0.00 42.46 37.79 2vju s ILE 55 CO 0.12 -1.02 1.45 0.40 0.00 0.00 0.00 174.94 175.89 2vju h ILE 56 N 5.91 1.32 -2.20 2.92 2.04 -1.24 -3.47 117.51 122.79 2vju h ILE 56 Ca -0.29 -1.90 -0.07 0.00 1.00 0.00 0.00 64.86 63.60 2vju h ILE 56 Cb 1.09 1.87 -0.19 0.00 -0.74 0.00 0.00 36.82 38.86 2vju h ILE 56 CO 1.07 0.59 0.12 -0.70 0.00 0.00 0.00 178.15 179.24 2vju s GLU 57 N -3.88 1.01 -0.30 2.37 2.56 -1.02 -4.98 118.70 114.47 2vju s GLU 57 Ca -0.08 0.16 -0.12 0.00 0.00 0.00 0.00 54.97 54.93 2vju s GLU 57 Cb 0.11 0.48 0.14 0.00 2.00 0.00 0.00 34.13 36.85 2vju s GLU 57 CO 0.85 -0.32 0.75 1.41 -0.56 0.00 0.00 175.26 177.39 2vju s MET 58 N -1.34 0.50 -0.02 4.30 -2.45 -1.26 -0.88 119.30 118.15 2vju s MET 58 Ca -0.11 1.25 -0.05 0.00 -1.25 0.00 0.00 55.69 55.53 2vju s MET 58 Cb -0.01 0.73 0.00 0.00 1.25 0.00 0.00 34.83 36.81 2vju s MET 58 CO 0.08 -0.17 0.12 -0.65 1.05 0.00 0.00 175.02 175.45 2vju s GLN 59 N 2.72 0.30 0.26 4.11 -1.52 -0.47 -5.01 119.66 120.06 2vju s GLN 59 Ca -0.05 -0.13 0.08 0.00 -1.95 0.00 0.00 55.36 53.30 2vju s GLN 59 Cb -0.10 0.13 -0.04 0.00 -0.22 0.00 0.00 33.01 32.78 2vju s GLN 59 CO -0.19 -0.06 0.14 0.95 -0.25 0.00 0.00 175.29 175.89 2vju s THR 60 N -0.68 4.09 -0.41 -0.19 -4.23 -1.26 -0.43 115.64 112.53 2vju s THR 60 Ca -0.08 -1.55 0.09 0.00 -1.18 0.00 0.00 61.69 58.97 2vju s THR 60 Cb -0.05 -3.23 0.31 0.00 1.34 0.00 0.00 72.50 70.88 2vju s THR 60 CO 0.01 -0.34 0.79 -0.67 -0.54 0.00 0.00 174.62 173.86 2vju n ASP 61 N -1.11 -0.43 0.00 3.99 2.03 -0.26 -4.96 116.55 115.80 2vju n ASP 61 Ca -0.07 -3.14 0.00 0.00 0.52 0.00 0.00 54.79 52.10 2vju n ASP 61 Cb 0.58 0.22 0.00 0.00 -0.72 0.00 0.00 41.12 41.20 2vju n ASP 61 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2vju n LYS 62 N 0.68 0.00 -0.23 -0.67 5.02 -1.22 -3.85 118.16 117.89 2vju n LYS 62 Ca 0.18 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.54 2vju n LYS 62 Cb 0.64 -0.02 0.09 0.00 -0.02 0.00 0.00 35.03 35.72 2vju n LYS 62 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2vju n ASP 63 N 0.78 1.56 -3.59 4.39 3.85 -1.26 -0.99 116.55 121.28 2vju n ASP 63 Ca 0.00 -2.74 -0.06 0.00 -0.71 0.00 0.00 54.79 51.29 2vju n ASP 63 Cb 0.00 -0.36 -0.03 0.00 -1.35 0.00 0.00 41.12 39.38 2vju n ASP 63 CO 0.00 0.00 0.00 -1.38 -1.01 0.00 0.00 177.20 174.81 2vju s HIS 64 N -1.92 -0.19 -0.05 2.11 -3.43 -1.25 -4.02 115.29 106.54 2vju s HIS 64 Ca 0.22 0.22 0.04 0.00 -0.80 0.00 0.00 55.06 54.74 2vju s HIS 64 Cb 0.19 0.50 -0.00 0.00 -1.43 0.00 0.00 32.58 31.83 2vju s HIS 64 CO 0.02 -0.23 -0.18 -1.50 -2.00 0.00 0.00 174.74 170.85 2vju s ILE 65 N -1.82 1.51 -0.14 -5.38 2.07 -0.41 -1.11 121.20 115.91 2vju s ILE 65 Ca 0.06 -0.76 -0.05 0.00 -1.41 0.00 0.00 60.65 58.49 2vju s ILE 65 Cb -0.01 -1.30 -0.04 0.00 0.13 0.00 0.00 42.46 41.25 2vju s ILE 65 CO -0.04 0.43 0.04 -1.00 -1.91 0.00 0.00 174.94 172.46 2vju s HIS 66 N 0.04 3.24 -0.03 3.50 3.76 0.42 -2.86 115.29 123.36 2vju s HIS 66 Ca -0.04 0.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.98 2vju s HIS 66 Cb -0.12 -1.96 0.02 0.00 1.11 0.00 0.00 32.58 31.63 2vju s HIS 66 CO 0.03 0.29 -0.00 0.42 -0.85 0.00 0.00 174.74 174.62 2vju s ILE 67 N -0.15 0.17 -0.31 0.60 1.01 0.14 -1.37 121.20 121.30 2vju s ILE 67 Ca 0.06 0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.73 2vju s ILE 67 Cb -0.12 -0.26 0.03 0.00 0.01 0.00 0.00 42.46 42.12 2vju s ILE 67 CO 0.02 0.13 0.05 -0.22 0.00 0.00 0.00 174.94 174.92 2vju s LEU 68 N 0.91 3.95 0.06 2.97 2.96 -0.05 0.10 118.68 129.58 2vju s LEU 68 Ca -0.09 -1.01 0.03 0.00 -0.22 0.00 0.00 54.13 52.84 2vju s LEU 68 Cb -0.13 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 2vju s LEU 68 CO -0.02 -0.25 -0.09 0.00 -1.32 0.00 0.00 176.35 174.67 2vju s ALA 69 N 1.39 0.77 -0.27 5.97 0.00 -0.58 -0.64 121.76 128.41 2vju s ALA 69 Ca -0.01 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 2vju s ALA 69 Cb -0.19 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 2vju s ALA 69 CO 0.01 0.00 0.08 0.34 0.00 0.00 0.00 175.76 176.19 2vju s ASP 70 N -1.79 5.16 -0.03 0.00 3.68 0.25 -0.59 116.67 123.35 2vju s ASP 70 Ca -0.05 -0.37 0.04 0.00 2.13 0.00 0.00 52.55 54.30 2vju s ASP 70 Cb -0.08 -1.92 -0.00 0.00 -1.45 0.00 0.00 42.92 39.46 2vju s ASP 70 CO 0.00 -0.09 -0.14 -0.63 0.13 0.00 0.00 175.17 174.44 2vju s ILE 71 N 1.59 1.15 0.05 4.11 1.01 -0.04 -2.32 121.20 126.74 2vju s ILE 71 Ca 0.05 -0.58 -0.33 0.00 0.00 0.00 0.00 60.65 59.79 2vju s ILE 71 Cb -0.16 -0.98 -0.12 0.00 0.01 0.00 0.00 42.46 41.21 2vju s ILE 71 CO 0.03 0.33 1.80 -0.67 0.00 0.00 0.00 174.94 176.44 2vju n ASP 72 N 3.04 3.58 -0.30 3.58 -0.08 -1.26 -4.38 116.55 120.73 2vju n ASP 72 Ca -0.17 1.00 0.05 0.00 -1.51 0.00 0.00 54.79 54.16 2vju n ASP 72 Cb 0.54 -1.45 0.25 0.00 2.34 0.00 0.00 41.12 42.81 2vju n ASP 72 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2vju h PRO 73 N 8.27 0.97 -0.53 -0.67 0.13 -1.95 -0.98 132.00 137.24 2vju h PRO 73 Ca -0.47 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 64.49 2vju h PRO 73 Cb 1.25 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 2vju h PRO 73 CO 0.93 0.64 -0.09 1.03 -0.23 0.00 0.00 178.00 180.28 2vju h SER 74 N 1.00 1.00 -0.49 1.44 0.87 -2.01 -3.03 113.55 112.32 2vju h SER 74 Ca 0.40 -0.35 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2vju h SER 74 Cb 0.26 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 2vju h SER 74 CO -0.16 1.11 0.24 0.15 -0.53 0.00 0.00 176.83 177.64 2vju h PHE 75 N 0.87 0.71 0.00 2.24 3.57 -1.67 -3.49 116.94 119.17 2vju h PHE 75 Ca 0.14 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2vju h PHE 75 Cb 0.65 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.17 2vju h PHE 75 CO 0.05 0.56 0.00 0.41 -2.23 0.00 0.00 178.31 177.10 2vju n GLY 76 N -0.91 0.86 0.22 2.40 0.00 -0.47 -4.59 105.19 102.69 2vju n GLY 76 Ca 0.02 -1.32 -0.01 0.00 0.00 0.00 0.00 46.02 44.70 2vju n GLY 76 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2vju h VAL 77 N 0.00 1.26 0.00 1.61 3.04 -1.86 -2.20 116.25 118.11 2vju h VAL 77 Ca 0.00 -1.26 -0.06 0.00 -1.01 0.00 0.00 66.70 64.37 2vju h VAL 77 Cb 0.00 1.49 -0.01 0.00 -2.01 0.00 0.00 31.29 30.76 2vju h VAL 77 CO 0.00 0.38 -0.28 0.24 -1.01 0.00 0.00 177.57 176.90 2vju h MET 78 N 0.24 0.00 -0.28 4.17 2.86 -1.98 -1.19 114.93 118.75 2vju h MET 78 Ca 0.03 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.49 2vju h MET 78 Cb 0.66 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.32 2vju h MET 78 CO 0.05 0.28 -0.54 -0.22 1.06 0.00 0.00 176.91 177.53 2vju h LYS 79 N 0.00 0.86 -0.29 1.72 3.64 -1.65 0.22 116.57 121.07 2vju h LYS 79 Ca -0.00 -0.55 -0.04 0.00 -1.27 0.00 0.00 60.65 58.79 2vju h LYS 79 Cb 0.68 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 2vju h LYS 79 CO 0.04 1.19 0.03 0.35 -2.27 0.00 0.00 179.45 178.78 2vju h PHE 80 N 0.64 0.53 -0.84 1.91 3.57 -1.39 -1.53 116.94 119.82 2vju h PHE 80 Ca 0.01 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 2vju h PHE 80 Cb 1.16 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 2vju h PHE 80 CO 0.08 0.60 0.43 0.82 -2.23 0.00 0.00 178.31 178.01 2vju h ILE 81 N 0.30 1.25 -0.68 1.41 2.04 -1.11 0.11 117.51 120.84 2vju h ILE 81 Ca 0.09 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.21 2vju h ILE 81 Cb 0.37 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 2vju h ILE 81 CO 0.01 0.30 0.18 0.50 0.00 0.00 0.00 178.15 179.13 2vju h LYS 82 N 1.19 1.07 -0.07 2.37 3.64 -0.34 -1.39 116.57 123.04 2vju h LYS 82 Ca 0.29 -0.24 -0.24 0.00 -1.27 0.00 0.00 60.65 59.19 2vju h LYS 82 Cb 0.08 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2vju h LYS 82 CO -0.04 0.94 -0.90 1.15 -2.27 0.00 0.00 179.45 178.33 2vju h THR 83 N 1.02 1.30 -0.44 1.00 2.02 -0.67 -0.39 112.91 116.76 2vju h THR 83 Ca 0.22 -2.15 -0.10 0.00 0.77 0.00 0.00 66.41 65.15 2vju h THR 83 Cb 0.34 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.93 2vju h THR 83 CO -0.00 0.67 -0.10 0.00 0.37 0.00 0.00 175.52 176.45 2vju h ALA 84 N 0.56 0.60 0.01 6.16 0.00 -0.64 -1.13 119.26 124.83 2vju h ALA 84 Ca -0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2vju h ALA 84 Cb 1.53 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2vju h ALA 84 CO 0.17 0.49 -0.14 0.87 0.00 0.00 0.00 179.25 180.65 2vju h LYS 85 N 0.67 0.07 0.30 0.00 1.57 -1.29 -2.53 116.57 115.37 2vju h LYS 85 Ca 0.11 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2vju h LYS 85 Cb 0.64 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 2vju h LYS 85 CO 0.04 0.92 -0.17 0.78 -0.57 0.00 0.00 179.45 180.46 2vju h GLY 86 N -0.73 -0.45 0.90 3.86 0.00 -1.12 -0.19 103.07 105.32 2vju h GLY 86 Ca -0.02 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 2vju h GLY 86 CO 0.03 -0.17 0.09 -0.09 0.00 0.00 0.00 176.54 176.39 2vju h ARG 87 N -0.44 0.32 -0.48 4.80 2.43 -1.35 -1.88 114.38 117.78 2vju h ARG 87 Ca -0.03 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2vju h ARG 87 Cb 0.36 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2vju h ARG 87 CO 0.04 0.37 0.32 0.66 -1.51 0.00 0.00 179.97 179.85 2vju h SER 88 N 0.19 0.54 -0.05 -3.80 4.64 -1.39 0.35 113.55 114.04 2vju h SER 88 Ca 0.07 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2vju h SER 88 Cb 0.17 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2vju h SER 88 CO -0.01 0.39 0.01 -1.28 -0.87 0.00 0.00 176.83 175.07 2vju h SER 89 N 0.64 0.08 -0.14 4.97 0.87 -0.69 0.13 113.55 119.41 2vju h SER 89 Ca 0.18 -0.27 0.01 0.00 -1.23 0.00 0.00 61.79 60.47 2vju h SER 89 Cb -0.06 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 2vju h SER 89 CO -0.04 0.33 0.08 -0.09 -0.53 0.00 0.00 176.83 176.58 2vju h ARG 90 N -0.18 0.16 -0.20 2.24 9.65 -0.51 -0.03 114.38 125.51 2vju h ARG 90 Ca 0.01 -0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 58.79 2vju h ARG 90 Cb 0.29 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.83 2vju h ARG 90 CO 0.00 0.11 -0.25 0.82 2.80 0.00 0.00 179.97 183.45 2vju h ILE 91 N 0.16 1.33 -0.42 1.20 2.04 -0.90 -2.64 117.51 118.29 2vju h ILE 91 Ca 0.05 -1.44 -0.08 0.00 1.00 0.00 0.00 64.86 64.40 2vju h ILE 91 Cb -0.00 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 2vju h ILE 91 CO -0.03 0.44 -0.05 -0.07 0.00 0.00 0.00 178.15 178.44 2vju h LEU 92 N 0.19 0.69 -1.17 1.44 3.38 -0.69 -0.87 115.31 118.28 2vju h LEU 92 Ca 0.03 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 2vju h LEU 92 Cb 0.81 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2vju h LEU 92 CO 0.06 0.79 -0.37 0.03 0.09 0.00 0.00 178.44 179.04 2vju h ARG 93 N 0.66 0.00 0.16 1.13 3.08 -0.98 0.77 114.38 119.20 2vju h ARG 93 Ca 0.12 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.88 2vju h ARG 93 Cb 0.49 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.56 2vju h ARG 93 CO 0.03 0.37 -1.29 1.96 -1.07 0.00 0.00 179.97 179.96 2vju h GLN 94 N 0.00 0.45 0.00 0.04 4.20 -1.07 -3.35 115.11 115.37 2vju h GLN 94 Ca -0.00 -0.69 -0.13 0.00 0.06 0.00 0.00 58.65 57.88 2vju h GLN 94 Cb 0.76 0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 2vju h GLN 94 CO 0.05 1.31 -0.63 0.93 -0.67 0.00 0.00 178.83 179.82 2vju h GLU 95 N 0.16 0.00 -2.93 1.46 5.08 -0.90 -3.39 114.58 114.05 2vju h GLU 95 Ca -0.18 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.57 2vju h GLU 95 Cb 1.99 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.84 2vju h GLU 95 CO 0.23 0.63 -0.75 -0.06 -1.00 0.00 0.00 179.01 178.07 2vju s PHE 96 N -3.09 1.98 0.52 4.33 0.40 0.24 -5.01 117.98 117.35 2vju s PHE 96 Ca 0.02 -2.45 0.40 0.00 -0.60 0.00 0.00 56.93 54.29 2vju s PHE 96 Cb 0.10 -1.83 1.58 0.00 0.51 0.00 0.00 43.02 43.37 2vju s PHE 96 CO 0.76 -0.77 1.68 -0.97 0.70 0.00 0.00 175.22 176.62 2vju h ASN 97 N 6.55 0.07 0.36 1.36 -0.73 -1.78 0.14 115.58 121.56 2vju h ASN 97 Ca 0.03 0.03 -0.07 0.00 1.87 0.00 0.00 56.30 58.16 2vju h ASN 97 Cb 0.91 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.52 2vju h ASN 97 CO 0.48 -0.03 -0.35 1.12 -0.37 0.00 0.00 177.43 178.29 2vju h HIS 98 N 0.04 0.00 0.00 0.67 2.07 -1.94 0.59 115.15 116.58 2vju h HIS 98 Ca 0.76 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 58.23 2vju h HIS 98 Cb 2.87 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 32.84 2vju h HIS 98 CO -0.00 0.35 -0.22 -0.07 -3.07 0.00 0.00 177.93 174.92 2vju h LEU 99 N 0.00 0.00 0.17 6.12 3.38 -1.03 -0.93 115.31 123.03 2vju h LEU 99 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2vju h LEU 99 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2vju h LEU 99 CO 0.05 0.22 -1.76 0.50 0.09 0.00 0.00 178.44 177.53 2vju h LYS 100 N 0.00 0.36 0.08 1.13 3.64 -1.26 -3.27 116.57 117.25 2vju h LYS 100 Ca -0.00 -0.62 -0.26 0.00 -1.27 0.00 0.00 60.65 58.50 2vju h LYS 100 Cb 0.42 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 2vju h LYS 100 CO 0.03 1.28 -1.24 1.79 -2.27 0.00 0.00 179.45 179.03 2vju h THR 101 N 0.10 1.47 -0.02 1.00 1.35 -0.77 -3.35 112.91 112.69 2vju h THR 101 Ca -0.34 -3.11 0.00 0.00 -0.55 0.00 0.00 66.41 62.41 2vju h THR 101 Cb 2.08 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 71.36 2vju h THR 101 CO 0.17 0.88 -0.28 0.29 -0.25 0.00 0.00 175.52 176.33 2vju n LYS 102 N -3.43 1.38 -4.18 4.72 5.02 -0.37 -4.91 118.16 116.39 2vju n LYS 102 Ca -0.08 -1.04 -0.16 0.00 -2.02 0.00 0.00 58.31 55.01 2vju n LYS 102 Cb 1.00 -1.48 -0.15 0.00 -0.02 0.00 0.00 35.03 34.39 2vju n LYS 102 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2vju s LEU 103 N -2.34 1.98 0.30 -0.35 1.43 -1.23 -5.02 118.68 113.44 2vju s LEU 103 Ca 0.24 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.30 2vju s LEU 103 Cb 0.19 -0.30 0.49 0.00 0.03 0.00 0.00 46.19 46.60 2vju s LEU 103 CO 0.48 0.06 1.73 1.55 0.23 0.00 0.00 176.35 180.41 2vju h PRO 104 N 6.06 0.28 -3.92 1.29 0.13 -1.86 -3.43 132.00 130.56 2vju h PRO 104 Ca -0.29 -0.12 -0.10 0.00 -0.87 0.00 0.00 66.00 64.62 2vju h PRO 104 Cb 1.19 -0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2vju h PRO 104 CO 0.50 0.60 -0.42 0.95 -0.23 0.00 0.00 178.00 179.40 2vju s THR 105 N -4.28 0.14 -0.01 1.56 -4.23 -1.26 -5.07 115.64 102.48 2vju s THR 105 Ca -0.05 -1.35 -0.20 0.00 -1.18 0.00 0.00 61.69 58.91 2vju s THR 105 Cb 0.14 -1.50 -0.29 0.00 1.34 0.00 0.00 72.50 72.19 2vju s THR 105 CO 0.77 -0.62 1.00 0.25 -0.54 0.00 0.00 174.62 175.48 2vju h LEU 106 N 2.77 0.57 0.00 4.79 5.85 -1.87 -3.40 115.31 124.02 2vju h LEU 106 Ca -0.34 -0.87 -0.07 0.00 0.84 0.00 0.00 57.88 57.44 2vju h LEU 106 Cb 1.20 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 2vju h LEU 106 CO 0.56 1.39 -0.03 0.79 -0.34 0.00 0.00 178.44 180.81 2vju n TRP 107 N -4.08 -1.77 -4.50 1.25 7.02 -1.26 -0.13 117.44 113.97 2vju n TRP 107 Ca -0.13 -0.30 -0.31 0.00 -1.02 0.00 0.00 57.50 55.75 2vju n TRP 107 Cb 0.81 -0.06 -0.06 0.00 -2.42 0.00 0.00 31.31 29.59 2vju n TRP 107 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2vju s THR 108 N -0.13 1.32 -2.27 -0.99 -4.23 -1.24 -3.92 115.64 104.17 2vju s THR 108 Ca 0.05 -1.85 0.28 0.00 -1.18 0.00 0.00 61.69 58.99 2vju s THR 108 Cb -0.00 -2.16 0.65 0.00 1.34 0.00 0.00 72.50 72.32 2vju s THR 108 CO 0.03 0.00 1.87 -0.46 -0.54 0.00 0.00 174.62 175.52 2vju n ASN 109 N -1.41 0.93 -4.69 3.99 6.94 -1.26 -4.91 115.26 114.85 2vju n ASN 109 Ca -0.14 -1.36 -0.25 0.00 -0.02 0.00 0.00 54.58 52.81 2vju n ASN 109 Cb 0.66 -0.01 -0.08 0.00 -2.36 0.00 0.00 39.78 37.99 2vju n ASN 109 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2vju s SER 110 N -1.91 4.28 0.24 0.53 1.04 -1.26 -5.13 113.70 111.49 2vju s SER 110 Ca 0.40 -1.09 -0.22 0.00 0.48 0.00 0.00 55.95 55.52 2vju s SER 110 Cb 0.20 -0.49 0.03 0.00 0.10 0.00 0.00 66.02 65.86 2vju s SER 110 CO 0.33 -0.43 0.80 0.00 0.98 0.00 0.00 173.24 174.91 2vju s PHE 112 N -3.70 2.45 -0.04 0.00 5.36 0.21 -4.97 117.98 117.30 2vju s PHE 112 Ca 0.11 -0.70 -0.01 0.00 -0.96 0.00 0.00 56.93 55.37 2vju s PHE 112 Cb -0.05 -1.60 0.03 0.00 -0.34 0.00 0.00 43.02 41.07 2vju s PHE 112 CO 0.06 -0.20 0.07 0.42 -1.46 0.00 0.00 175.22 174.10 2vju s ILE 113 N -0.18 -0.07 -0.01 3.12 1.01 -1.26 -0.53 121.20 123.28 2vju s ILE 113 Ca -0.03 0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.83 2vju s ILE 113 Cb -0.14 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.20 2vju s ILE 113 CO 0.04 0.09 0.05 -0.94 0.00 0.00 0.00 174.94 174.18 2vju s SER 114 N 1.23 -0.03 0.55 3.58 1.04 -0.59 -4.97 113.70 114.52 2vju s SER 114 Ca -0.08 0.04 -0.08 0.00 0.48 0.00 0.00 55.95 56.32 2vju s SER 114 Cb -0.12 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 2vju s SER 114 CO -0.04 -0.05 0.90 0.42 0.98 0.00 0.00 173.24 175.45 2vju s THR 115 N -0.13 4.77 -0.07 2.02 -4.23 -1.26 0.13 115.64 116.87 2vju s THR 115 Ca -0.02 0.50 -0.27 0.00 -1.18 0.00 0.00 61.69 60.72 2vju s THR 115 Cb -0.01 -3.85 0.06 0.00 1.34 0.00 0.00 72.50 70.04 2vju s THR 115 CO 0.00 -0.97 0.62 0.54 -0.54 0.00 0.00 174.62 174.27 2vju s VAL 116 N -2.95 0.01 0.36 2.29 0.11 -0.58 -4.84 120.40 114.79 2vju s VAL 116 Ca 0.51 -0.07 0.04 0.00 -2.93 0.00 0.00 61.98 59.53 2vju s VAL 116 Cb -0.11 -0.93 -0.03 0.00 -1.53 0.00 0.00 36.38 33.78 2vju s VAL 116 CO 0.49 -0.04 0.15 -0.83 -3.33 0.00 0.00 175.10 171.54 2vju s GLY 117 N -1.00 2.34 0.23 6.54 0.00 -1.26 -3.83 107.32 110.33 2vju s GLY 117 Ca -0.10 -1.58 -0.05 0.00 0.00 0.00 0.00 44.72 42.99 2vju s GLY 117 CO 0.08 -1.71 1.71 -1.33 0.00 0.00 0.00 173.10 171.85 2vju h GLY 118 N 2.00 0.99 -5.59 0.20 0.00 -1.98 -3.42 103.07 95.28 2vju h GLY 118 Ca -0.34 -0.69 -0.64 0.00 0.00 0.00 0.00 47.33 45.66 2vju h GLY 118 CO 0.54 0.64 -0.41 0.00 0.00 0.00 0.00 176.54 177.31 2vju s ALA 119 N -5.01 3.80 0.80 3.60 0.00 -1.26 -5.09 121.76 118.60 2vju s ALA 119 Ca -0.10 -0.54 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 2vju s ALA 119 Cb 0.14 -2.12 0.07 0.00 0.00 0.00 0.00 23.12 21.22 2vju s ALA 119 CO 0.83 0.50 1.10 -1.25 0.00 0.00 0.00 175.76 176.94 2vju s PRO 120 N -0.77 2.05 0.29 0.00 0.04 -1.26 -4.82 135.00 130.52 2vju s PRO 120 Ca 0.16 0.61 0.02 0.00 0.04 0.00 0.00 61.00 61.83 2vju s PRO 120 Cb -0.13 -1.92 0.59 0.00 0.04 0.00 0.00 34.50 33.09 2vju s PRO 120 CO 0.05 -1.64 1.82 1.25 0.04 0.00 0.00 177.00 178.53 2vju h LEU 121 N -1.10 0.88 -0.59 -3.56 5.85 -1.98 -2.06 115.31 112.75 2vju h LEU 121 Ca -0.47 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 2vju h LEU 121 Cb 1.27 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2vju h LEU 121 CO 0.60 0.43 0.34 -0.55 -0.34 0.00 0.00 178.44 178.91 2vju h ASN 122 N 0.93 0.72 -0.45 1.25 -0.00 -1.99 0.95 115.58 116.99 2vju h ASN 122 Ca 0.51 -0.08 -0.04 0.00 -0.00 0.00 0.00 56.30 56.70 2vju h ASN 122 Cb 0.59 -0.18 -0.02 0.00 -0.00 0.00 0.00 38.32 38.71 2vju h ASN 122 CO -0.30 0.59 0.14 0.58 -0.00 0.00 0.00 177.43 178.45 2vju h VAL 123 N 0.79 1.22 -0.26 6.14 2.07 -1.76 0.18 116.25 124.64 2vju h VAL 123 Ca 0.21 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 2vju h VAL 123 Cb 0.02 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2vju h VAL 123 CO -0.04 0.27 -0.16 0.58 0.02 0.00 0.00 177.57 178.24 2vju h VAL 124 N 0.59 1.23 -0.22 2.57 2.07 -1.03 -0.49 116.25 120.98 2vju h VAL 124 Ca 0.15 -1.04 -0.17 0.00 0.82 0.00 0.00 66.70 66.45 2vju h VAL 124 Cb 0.27 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2vju h VAL 124 CO -0.00 0.34 -0.55 0.11 0.02 0.00 0.00 177.57 177.48 2vju h LYS 125 N 0.40 0.65 -0.58 1.57 1.57 -0.23 -2.64 116.57 117.32 2vju h LYS 125 Ca 0.07 -0.42 -0.05 0.00 -1.87 0.00 0.00 60.65 58.38 2vju h LYS 125 Cb 0.51 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 2vju h LYS 125 CO 0.03 1.03 0.14 0.37 -0.57 0.00 0.00 179.45 180.46 2vju h GLN 126 N 0.50 0.90 -0.02 3.15 5.75 -0.02 0.13 115.11 125.50 2vju h GLN 126 Ca 0.01 -0.19 -0.00 0.00 -0.15 0.00 0.00 58.65 58.32 2vju h GLN 126 Cb 1.12 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.54 2vju h GLN 126 CO 0.11 0.80 0.01 -0.92 -2.65 0.00 0.00 178.83 176.18 2vju h TYR 127 N 0.86 0.03 -0.89 3.99 5.03 -0.97 0.22 116.97 125.25 2vju h TYR 127 Ca 0.19 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.48 2vju h TYR 127 Cb 0.31 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.53 2vju h TYR 127 CO 0.02 0.25 0.49 0.82 -1.32 0.00 0.00 178.16 178.42 2vju h ILE 128 N -0.19 1.26 -0.23 1.81 2.04 -1.26 0.60 117.51 121.54 2vju h ILE 128 Ca 0.01 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 2vju h ILE 128 Cb 0.23 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 2vju h ILE 128 CO 0.00 0.29 -0.00 -0.08 0.00 0.00 0.00 178.15 178.36 2vju h GLU 129 N 1.24 0.41 -0.77 2.37 4.81 -0.76 -2.98 114.58 118.92 2vju h GLU 129 Ca 0.31 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 2vju h GLU 129 Cb 0.02 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2vju h GLU 129 CO -0.05 0.60 0.33 -0.91 -0.73 0.00 0.00 179.01 178.24 2vju h ASN 130 N 0.18 1.04 -0.60 1.04 -0.26 -0.32 -3.17 115.58 113.49 2vju h ASN 130 Ca 0.07 -0.16 -0.73 0.00 -0.56 0.00 0.00 56.30 54.92 2vju h ASN 130 Cb 0.41 -0.27 -0.08 0.00 -1.06 0.00 0.00 38.32 37.32 2vju h ASN 130 CO 0.01 0.92 2.74 0.00 -1.06 0.00 0.00 177.43 180.03 2vju n GLN 131 N -4.33 3.35 0.00 0.81 1.13 0.18 -5.08 117.38 113.44 2vju n GLN 131 Ca 0.07 -2.97 0.00 0.00 -1.94 0.00 0.00 57.00 52.15 2vju n GLN 131 Cb 0.17 -3.06 0.00 0.00 0.11 0.00 0.00 30.24 27.46 2vju n GLN 131 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56