#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d96 s ASN 2 N 0.00 4.26 0.00 3.54 2.47 -1.26 -4.99 114.94 118.96 3d96 s ASN 2 Ca 0.00 -1.80 0.28 0.00 0.42 0.00 0.00 52.86 51.76 3d96 s ASN 2 Cb 0.00 -1.11 1.02 0.00 -1.45 0.00 0.00 41.25 39.71 3d96 s ASN 2 CO 0.00 -0.40 1.73 0.49 -3.72 0.00 0.00 177.10 175.20 3d96 n PHE 3 N 4.66 0.00 -2.09 0.43 3.01 -1.26 -4.97 117.46 117.24 3d96 n PHE 3 Ca -0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 3d96 n PHE 3 Cb 0.42 -0.11 -0.02 0.00 -0.01 0.00 0.00 39.48 39.75 3d96 n PHE 3 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3d96 s SER 4 N -2.37 6.75 0.00 4.37 0.01 -1.26 -4.64 113.70 116.55 3d96 s SER 4 Ca 0.30 2.67 0.00 0.00 1.31 0.00 0.00 55.95 60.22 3d96 s SER 4 Cb 0.20 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.79 3d96 s SER 4 CO 0.46 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 174.15 3d96 n GLY 5 N 1.21 -0.36 3.56 3.44 0.00 0.12 -4.96 105.19 108.21 3d96 n GLY 5 Ca 0.02 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 3d96 n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d96 s ASN 6 N -1.74 5.32 0.01 1.61 0.01 -1.26 -1.12 114.94 117.76 3d96 s ASN 6 Ca 0.00 -0.04 0.07 0.00 -0.71 0.00 0.00 52.86 52.18 3d96 s ASN 6 Cb 0.00 -1.91 -0.03 0.00 0.41 0.00 0.00 41.25 39.72 3d96 s ASN 6 CO 0.00 0.12 -0.20 0.26 -1.51 0.00 0.00 177.10 175.77 3d96 s TRP 7 N 0.68 2.50 0.01 2.20 0.52 0.11 -0.03 118.94 124.94 3d96 s TRP 7 Ca 0.02 -0.30 0.08 0.00 0.02 0.00 0.00 56.10 55.92 3d96 s TRP 7 Cb -0.14 -1.50 -0.02 0.00 -1.15 0.00 0.00 33.47 30.67 3d96 s TRP 7 CO 0.02 0.16 -0.24 -1.59 0.02 0.00 0.00 176.95 175.31 3d96 s LYS 8 N -1.07 1.80 0.24 4.98 -2.85 0.17 -2.59 119.74 120.42 3d96 s LYS 8 Ca 0.12 -0.95 -0.30 0.00 -1.00 0.00 0.00 55.97 53.84 3d96 s LYS 8 Cb -0.10 -1.85 -0.09 0.00 -2.06 0.00 0.00 37.83 33.73 3d96 s LYS 8 CO 0.02 0.49 1.05 -1.50 0.10 0.00 0.00 175.35 175.52 3d96 s ILE 9 N -0.68 3.78 0.00 3.79 2.07 -1.26 -0.87 121.20 128.03 3d96 s ILE 9 Ca 0.10 1.71 0.00 0.00 -1.41 0.00 0.00 60.65 61.04 3d96 s ILE 9 Cb -0.09 -4.09 0.00 0.00 0.13 0.00 0.00 42.46 38.41 3d96 s ILE 9 CO 0.01 0.37 0.00 2.30 -1.91 0.00 0.00 174.94 175.71 3d96 n ILE 10 N 1.65 0.00 -3.94 2.00 -5.35 0.69 -4.90 119.36 109.51 3d96 n ILE 10 Ca -0.00 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.38 3d96 n ILE 10 Cb 0.46 0.04 -0.12 0.00 -1.74 0.00 0.00 39.64 38.28 3d96 n ILE 10 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3d96 s ARG 11 N -1.94 0.21 -0.10 6.28 1.81 -1.04 -4.98 118.95 119.20 3d96 s ARG 11 Ca 0.00 -0.39 -0.04 0.00 -1.72 0.00 0.00 55.73 53.58 3d96 s ARG 11 Cb 0.00 0.08 0.05 0.00 -0.45 0.00 0.00 34.95 34.62 3d96 s ARG 11 CO 0.00 -0.04 0.22 0.45 -0.68 0.00 0.00 175.30 175.25 3d96 s SER 12 N -0.95 -0.10 -0.07 0.23 0.15 -1.26 -1.24 113.70 110.46 3d96 s SER 12 Ca -0.10 0.46 -0.00 0.00 0.70 0.00 0.00 55.95 57.01 3d96 s SER 12 Cb -0.07 0.38 0.02 0.00 -1.71 0.00 0.00 66.02 64.65 3d96 s SER 12 CO -0.01 -0.17 -0.04 -0.70 1.20 0.00 0.00 173.24 173.52 3d96 s GLU 13 N 1.43 0.95 -0.68 5.44 2.56 0.67 -4.90 118.70 124.17 3d96 s GLU 13 Ca -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.97 54.82 3d96 s GLU 13 Cb -0.11 -1.07 0.00 0.00 2.00 0.00 0.00 34.13 34.95 3d96 s GLU 13 CO -0.08 -0.19 0.00 -1.71 -0.56 0.00 0.00 175.26 172.72 3d96 n ASN 14 N 4.61 -3.35 -0.07 -1.70 5.15 -1.26 -1.59 115.26 117.05 3d96 n ASN 14 Ca -0.16 0.10 -0.13 0.00 -0.60 0.00 0.00 54.58 53.79 3d96 n ASN 14 Cb 0.50 -1.95 -0.06 0.00 -0.53 0.00 0.00 39.78 37.75 3d96 n ASN 14 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3d96 h PHE 15 N 0.00 0.62 -0.66 1.20 3.57 -1.90 -2.56 116.94 117.20 3d96 h PHE 15 Ca -0.15 -0.19 0.01 0.00 3.53 0.00 0.00 57.97 61.17 3d96 h PHE 15 Cb 0.72 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 3d96 h PHE 15 CO 0.19 0.87 0.43 1.49 -2.23 0.00 0.00 178.31 179.06 3d96 h GLU 16 N 0.19 0.85 -0.44 1.11 4.81 -1.93 -2.02 114.58 117.14 3d96 h GLU 16 Ca 0.03 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3d96 h GLU 16 Cb 0.77 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 3d96 h GLU 16 CO 0.05 0.56 0.10 1.49 -0.73 0.00 0.00 179.01 180.48 3d96 h GLU 17 N 0.87 0.65 -0.38 1.92 4.57 -1.96 0.25 114.58 120.50 3d96 h GLU 17 Ca 0.25 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3d96 h GLU 17 Cb -0.07 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 3d96 h GLU 17 CO -0.07 0.60 0.25 1.25 -1.18 0.00 0.00 179.01 179.87 3d96 h LEU 18 N 0.64 0.43 -0.71 1.64 5.85 -0.95 -1.60 115.31 120.61 3d96 h LEU 18 Ca 0.14 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 3d96 h LEU 18 Cb 0.25 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3d96 h LEU 18 CO -0.00 0.31 0.20 -0.07 -0.34 0.00 0.00 178.44 178.54 3d96 h LEU 19 N 0.51 1.05 -0.99 2.25 3.38 -0.91 -2.85 115.31 117.76 3d96 h LEU 19 Ca 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3d96 h LEU 19 Cb -0.06 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.37 3d96 h LEU 19 CO -0.03 1.00 0.54 0.50 0.09 0.00 0.00 178.44 180.54 3d96 h LYS 20 N 1.06 1.24 0.00 1.13 3.64 -0.43 -1.60 116.57 121.61 3d96 h LYS 20 Ca 0.23 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3d96 h LYS 20 Cb 0.34 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3d96 h LYS 20 CO -0.00 0.87 -0.07 1.33 -2.27 0.00 0.00 179.45 179.31 3d96 n VAL 21 N -4.36 0.40 1.53 2.00 0.24 -0.65 -1.71 118.33 115.79 3d96 n VAL 21 Ca 0.10 -0.20 0.08 0.00 -2.04 0.00 0.00 64.34 62.28 3d96 n VAL 21 Cb 0.06 -0.50 0.37 0.00 -1.47 0.00 0.00 33.84 32.30 3d96 n VAL 21 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3d96 n LEU 22 N -2.03 0.95 0.00 1.34 4.77 -0.66 -4.92 117.00 116.45 3d96 n LEU 22 Ca 0.06 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 3d96 n LEU 22 Cb 0.40 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3d96 n LEU 22 CO 0.30 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3d96 n GLY 23 N 0.94 0.45 3.71 -0.72 0.00 -0.69 -5.01 105.19 103.87 3d96 n GLY 23 Ca 0.13 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 3d96 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d96 s VAL 24 N -2.00 3.80 0.79 1.61 1.01 -0.83 -4.98 120.40 119.79 3d96 s VAL 24 Ca 0.00 1.27 -0.11 0.00 0.00 0.00 0.00 61.98 63.14 3d96 s VAL 24 Cb 0.00 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.63 3d96 s VAL 24 CO 0.00 0.08 1.09 0.54 0.00 0.00 0.00 175.10 176.81 3d96 s ASN 25 N 1.21 4.40 0.25 3.32 2.20 -1.26 -4.55 114.94 120.51 3d96 s ASN 25 Ca 0.61 1.74 -0.04 0.00 -0.94 0.00 0.00 52.86 54.23 3d96 s ASN 25 Cb -0.32 -2.45 0.38 0.00 -2.00 0.00 0.00 41.25 36.87 3d96 s ASN 25 CO 0.29 -2.09 1.85 0.58 -2.94 0.00 0.00 177.10 174.78 3d96 h VAL 26 N -1.17 1.02 0.04 3.54 2.07 -1.99 -1.06 116.25 118.70 3d96 h VAL 26 Ca -0.45 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 3d96 h VAL 26 Cb 1.24 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3d96 h VAL 26 CO 0.52 0.18 -0.02 0.24 0.02 0.00 0.00 177.57 178.52 3d96 h MET 27 N 0.99 -0.05 -0.04 1.57 2.86 -2.00 -1.63 114.93 116.63 3d96 h MET 27 Ca 0.40 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.95 3d96 h MET 27 Cb 0.24 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3d96 h MET 27 CO -0.20 0.10 -0.43 -0.07 1.06 0.00 0.00 176.91 177.37 3d96 h LEU 28 N -0.19 0.09 -0.35 1.22 3.38 -1.86 -2.00 115.31 115.60 3d96 h LEU 28 Ca -0.01 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3d96 h LEU 28 Cb 0.17 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3d96 h LEU 28 CO 0.01 0.51 -0.03 0.03 0.09 0.00 0.00 178.44 179.05 3d96 h ARG 29 N 0.07 0.63 -0.34 1.13 3.08 -0.96 0.58 114.38 118.59 3d96 h ARG 29 Ca 0.00 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 3d96 h ARG 29 Cb 0.80 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 3d96 h ARG 29 CO 0.06 0.77 0.08 0.87 -1.07 0.00 0.00 179.97 180.68 3d96 h LYS 30 N 0.44 0.54 0.05 0.04 1.79 -1.09 0.36 116.57 118.69 3d96 h LYS 30 Ca 0.10 -0.13 0.02 0.00 -2.18 0.00 0.00 60.65 58.46 3d96 h LYS 30 Cb 0.50 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 31.05 3d96 h LYS 30 CO 0.02 0.60 -0.22 0.82 -1.08 0.00 0.00 179.45 179.59 3d96 h ILE 31 N 0.39 0.50 -0.84 1.86 2.04 -1.35 -2.73 117.51 117.38 3d96 h ILE 31 Ca 0.11 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 3d96 h ILE 31 Cb 0.30 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 3d96 h ILE 31 CO 0.00 0.00 0.52 0.00 0.00 0.00 0.00 178.15 178.67 3d96 h ALA 32 N 0.46 1.07 -0.13 1.87 0.00 -0.73 0.16 119.26 121.96 3d96 h ALA 32 Ca 0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3d96 h ALA 32 Cb 0.43 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3d96 h ALA 32 CO -0.17 0.51 0.07 0.28 0.00 0.00 0.00 179.25 179.94 3d96 h VAL 33 N 1.15 1.10 -0.55 0.00 2.07 -0.86 -1.57 116.25 117.59 3d96 h VAL 33 Ca 0.30 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 3d96 h VAL 33 Cb -0.07 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3d96 h VAL 33 CO -0.06 0.09 0.24 0.00 0.02 0.00 0.00 177.57 177.86 3d96 h ALA 34 N 0.96 0.71 -0.41 1.67 0.00 -1.15 -2.74 119.26 118.31 3d96 h ALA 34 Ca 0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3d96 h ALA 34 Cb 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3d96 h ALA 34 CO -0.01 0.31 0.24 0.00 0.00 0.00 0.00 179.25 179.79 3d96 h ALA 35 N 1.08 1.65 -0.57 0.00 0.00 -0.49 -2.72 119.26 118.22 3d96 h ALA 35 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3d96 h ALA 35 Cb 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3d96 h ALA 35 CO -0.02 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.53 3d96 n ALA 36 N -2.47 2.41 0.19 0.00 0.00 -0.61 -2.70 120.51 117.32 3d96 n ALA 36 Ca 0.03 -1.02 0.03 0.00 0.00 0.00 0.00 53.44 52.48 3d96 n ALA 36 Cb 0.08 -0.95 0.37 0.00 0.00 0.00 0.00 19.45 18.95 3d96 n ALA 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3d96 h SER 37 N 3.51 0.00 -1.92 0.00 4.64 -1.19 -3.33 113.55 115.25 3d96 h SER 37 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3d96 h SER 37 Cb 0.80 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.51 3d96 h SER 37 CO 0.00 0.37 -1.09 0.29 -0.87 0.00 0.00 176.83 175.53 3d96 n LYS 38 N -3.96 0.73 -1.71 4.77 4.76 -1.26 -4.93 118.16 116.56 3d96 n LYS 38 Ca -0.02 -3.17 -0.29 0.00 -2.87 0.00 0.00 58.31 51.96 3d96 n LYS 38 Cb 0.42 -1.26 0.09 0.00 -1.84 0.00 0.00 35.03 32.45 3d96 n LYS 38 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3d96 s PRO 39 N -1.20 2.02 -0.18 1.97 0.04 -1.25 -4.91 135.00 131.49 3d96 s PRO 39 Ca 0.35 0.40 -0.04 0.00 0.04 0.00 0.00 61.00 61.74 3d96 s PRO 39 Cb 0.19 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.77 3d96 s PRO 39 CO -0.11 -1.61 -0.02 0.00 0.04 0.00 0.00 177.00 175.30 3d96 s ALA 40 N -3.33 3.01 -0.18 8.56 0.00 0.41 -4.54 121.76 125.69 3d96 s ALA 40 Ca 0.61 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.66 3d96 s ALA 40 Cb -0.13 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.34 3d96 s ALA 40 CO 0.52 0.01 -0.20 0.08 0.00 0.00 0.00 175.76 176.17 3d96 s VAL 41 N 0.72 2.07 -0.17 0.00 1.01 -1.07 -0.51 120.40 122.44 3d96 s VAL 41 Ca -0.01 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 3d96 s VAL 41 Cb -0.14 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 3d96 s VAL 41 CO 0.02 0.54 -0.05 -0.70 0.00 0.00 0.00 175.10 174.91 3d96 s GLU 42 N 1.27 3.53 -0.05 2.72 2.12 0.03 0.09 118.70 128.41 3d96 s GLU 42 Ca 0.04 -0.58 0.05 0.00 0.36 0.00 0.00 54.97 54.84 3d96 s GLU 42 Cb -0.13 -2.91 -0.01 0.00 0.26 0.00 0.00 34.13 31.34 3d96 s GLU 42 CO -0.12 0.09 -0.20 0.42 -0.54 0.00 0.00 175.26 174.90 3d96 s ILE 43 N 0.75 1.67 -0.23 -3.70 1.01 -0.28 -0.82 121.20 119.61 3d96 s ILE 43 Ca -0.02 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.79 3d96 s ILE 43 Cb -0.15 -1.43 0.05 0.00 0.01 0.00 0.00 42.46 40.95 3d96 s ILE 43 CO 0.02 0.47 -0.11 -0.54 0.00 0.00 0.00 174.94 174.78 3d96 s LYS 44 N -0.05 2.18 -0.18 2.79 3.01 -0.35 -0.70 119.74 126.44 3d96 s LYS 44 Ca -0.03 -1.08 -0.06 0.00 -1.01 0.00 0.00 55.97 53.79 3d96 s LYS 44 Cb -0.12 -2.67 -0.03 0.00 -1.01 0.00 0.00 37.83 34.00 3d96 s LYS 44 CO 0.03 -0.49 0.02 -1.14 0.51 0.00 0.00 175.35 174.27 3d96 s GLN 45 N 1.26 3.78 -0.45 1.68 0.74 -1.26 -1.29 119.66 124.11 3d96 s GLN 45 Ca -0.04 -0.45 0.03 0.00 0.05 0.00 0.00 55.36 54.94 3d96 s GLN 45 Cb -0.18 -3.09 0.13 0.00 1.10 0.00 0.00 33.01 30.97 3d96 s GLN 45 CO -0.07 0.18 0.22 -1.21 -0.55 0.00 0.00 175.29 173.86 3d96 s GLU 46 N 0.57 1.47 7.94 1.67 2.02 0.04 -4.84 118.70 127.58 3d96 s GLU 46 Ca 0.00 -2.13 0.00 0.00 0.02 0.00 0.00 54.97 52.87 3d96 s GLU 46 Cb -0.14 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.42 3d96 s GLU 46 CO 0.02 -1.12 0.00 0.41 0.02 0.00 0.00 175.26 174.59 3d96 n GLY 47 N 3.54 3.70 0.47 -1.39 0.00 -1.26 -1.58 105.19 108.67 3d96 n GLY 47 Ca 0.06 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.17 3d96 n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d96 n ASP 48 N 8.61 1.45 -4.74 1.61 8.00 -1.26 -4.86 116.55 125.37 3d96 n ASP 48 Ca 0.00 -1.55 -0.35 0.00 0.71 0.00 0.00 54.79 53.59 3d96 n ASP 48 Cb 0.00 -0.04 -0.08 0.00 -0.02 0.00 0.00 41.12 40.98 3d96 n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3d96 s THR 49 N -1.92 5.39 0.01 -3.53 2.01 -0.62 -0.71 115.64 116.27 3d96 s THR 49 Ca 0.36 0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.68 3d96 s THR 49 Cb 0.19 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 3d96 s THR 49 CO 0.31 0.44 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.15 3d96 s PHE 50 N 0.32 1.47 -0.12 4.92 0.40 0.95 -0.78 117.98 125.13 3d96 s PHE 50 Ca 0.10 -0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.15 3d96 s PHE 50 Cb -0.11 -0.92 0.01 0.00 0.51 0.00 0.00 43.02 42.50 3d96 s PHE 50 CO -0.01 0.00 -0.21 -0.47 0.70 0.00 0.00 175.22 175.24 3d96 s TYR 51 N -0.53 2.48 -0.10 0.36 5.04 -0.42 -1.37 117.35 122.82 3d96 s TYR 51 Ca 0.06 -1.18 -0.01 0.00 -2.44 0.00 0.00 57.07 53.50 3d96 s TYR 51 Cb -0.07 -1.70 0.03 0.00 0.35 0.00 0.00 41.96 40.57 3d96 s TYR 51 CO 0.00 -0.53 -0.03 0.42 -1.34 0.00 0.00 175.55 174.06 3d96 s ILE 52 N 0.74 0.69 -0.20 3.14 1.01 -0.37 -1.21 121.20 124.99 3d96 s ILE 52 Ca -0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.40 3d96 s ILE 52 Cb -0.16 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 3d96 s ILE 52 CO 0.01 0.28 -0.03 -0.75 0.00 0.00 0.00 174.94 174.44 3d96 s LYS 53 N 1.84 3.47 -0.16 2.79 2.20 0.00 -1.07 119.74 128.82 3d96 s LYS 53 Ca 0.04 -0.59 0.01 0.00 -0.36 0.00 0.00 55.97 55.07 3d96 s LYS 53 Cb -0.13 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 3d96 s LYS 53 CO -0.07 -0.08 -0.17 0.99 -0.36 0.00 0.00 175.35 175.67 3d96 s THR 54 N 1.19 2.51 -0.05 3.43 2.01 0.09 -0.79 115.64 124.03 3d96 s THR 54 Ca 0.02 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.24 3d96 s THR 54 Cb -0.14 -2.05 0.00 0.00 0.01 0.00 0.00 72.50 70.31 3d96 s THR 54 CO -0.00 0.52 -0.16 -0.44 -0.69 0.00 0.00 174.62 173.84 3d96 s SER 55 N 0.89 2.10 0.00 3.53 0.01 0.33 -0.78 113.70 119.78 3d96 s SER 55 Ca -0.04 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.87 3d96 s SER 55 Cb -0.15 -0.67 0.00 0.00 0.21 0.00 0.00 66.02 65.41 3d96 s SER 55 CO -0.02 0.13 0.00 0.35 0.41 0.00 0.00 173.24 174.11 3d96 n THR 56 N 3.29 0.00 0.25 1.44 -2.24 0.03 -0.45 114.28 116.61 3d96 n THR 56 Ca -0.19 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.67 3d96 n THR 56 Cb 0.53 -0.40 0.62 0.00 -2.10 0.00 0.00 70.33 68.99 3d96 n THR 56 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3d96 h THR 57 N 0.54 0.99 0.00 4.28 1.35 -1.86 -3.30 112.91 114.91 3d96 h THR 57 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 3d96 h THR 57 Cb 0.00 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 3d96 h THR 57 CO 0.00 0.05 0.00 1.33 -0.25 0.00 0.00 175.52 176.65 3d96 n VAL 58 N -4.42 0.00 -4.11 6.82 0.24 -1.26 -5.07 118.33 110.54 3d96 n VAL 58 Ca -0.03 -0.30 -0.14 0.00 -2.04 0.00 0.00 64.34 61.83 3d96 n VAL 58 Cb 0.13 1.13 -0.12 0.00 -1.47 0.00 0.00 33.84 33.51 3d96 n VAL 58 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3d96 s ARG 59 N -0.41 0.53 -0.01 7.34 3.00 -1.24 -5.14 118.95 123.01 3d96 s ARG 59 Ca 0.00 -0.62 0.01 0.00 0.00 0.00 0.00 55.73 55.12 3d96 s ARG 59 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 34.95 34.58 3d96 s ARG 59 CO 0.00 0.08 -0.04 -0.08 0.00 0.00 0.00 175.30 175.26 3d96 s THR 60 N -1.03 0.35 -0.03 0.02 -1.32 -1.26 -0.79 115.64 111.58 3d96 s THR 60 Ca -0.06 -0.15 0.02 0.00 -1.21 0.00 0.00 61.69 60.30 3d96 s THR 60 Cb -0.08 -0.33 0.01 0.00 -1.51 0.00 0.00 72.50 70.59 3d96 s THR 60 CO 0.00 0.12 -0.08 0.42 -2.21 0.00 0.00 174.62 172.87 3d96 s THR 61 N 0.17 0.75 -0.10 5.08 -4.23 0.04 -5.00 115.64 112.35 3d96 s THR 61 Ca -0.02 -0.32 0.02 0.00 -1.18 0.00 0.00 61.69 60.19 3d96 s THR 61 Cb -0.05 -0.68 0.01 0.00 1.34 0.00 0.00 72.50 73.12 3d96 s THR 61 CO -0.00 0.24 -0.17 -1.61 -0.54 0.00 0.00 174.62 172.54 3d96 s GLU 62 N 0.32 2.35 0.16 3.99 2.02 -1.26 -0.73 118.70 125.54 3d96 s GLU 62 Ca -0.05 -0.62 0.11 0.00 0.02 0.00 0.00 54.97 54.43 3d96 s GLU 62 Cb -0.10 -1.94 -0.04 0.00 0.10 0.00 0.00 34.13 32.16 3d96 s GLU 62 CO 0.01 -0.01 -0.23 0.96 0.02 0.00 0.00 175.26 176.01 3d96 s ILE 63 N 0.83 2.47 -0.06 -1.63 -4.36 -0.23 -4.99 121.20 113.23 3d96 s ILE 63 Ca -0.10 -1.81 -0.02 0.00 -0.26 0.00 0.00 60.65 58.47 3d96 s ILE 63 Cb -0.16 -2.15 0.03 0.00 1.25 0.00 0.00 42.46 41.44 3d96 s ILE 63 CO 0.01 -0.00 0.03 0.20 0.24 0.00 0.00 174.94 175.41 3d96 s ASN 64 N -2.37 1.40 0.07 4.36 0.01 -1.26 -1.23 114.94 115.92 3d96 s ASN 64 Ca 0.18 -0.02 -0.10 0.00 -0.71 0.00 0.00 52.86 52.22 3d96 s ASN 64 Cb -0.09 -0.31 0.00 0.00 0.41 0.00 0.00 41.25 41.26 3d96 s ASN 64 CO 0.09 -0.22 0.21 0.72 -1.51 0.00 0.00 177.10 176.39 3d96 s PHE 65 N 2.06 0.08 -0.06 2.20 -0.12 -0.47 -4.90 117.98 116.77 3d96 s PHE 65 Ca 0.05 -0.43 0.03 0.00 -0.05 0.00 0.00 56.93 56.53 3d96 s PHE 65 Cb -0.12 -0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.22 3d96 s PHE 65 CO -0.04 -0.52 -0.13 0.21 -0.05 0.00 0.00 175.22 174.68 3d96 s LYS 66 N -3.42 2.59 0.25 1.99 2.20 -1.26 -0.03 119.74 122.06 3d96 s LYS 66 Ca 0.01 -0.68 -0.31 0.00 -0.36 0.00 0.00 55.97 54.64 3d96 s LYS 66 Cb 0.03 -2.42 -0.13 0.00 -1.51 0.00 0.00 37.83 33.80 3d96 s LYS 66 CO -0.09 0.60 1.49 0.28 -0.36 0.00 0.00 175.35 177.27 3d96 n VAL 67 N 2.39 0.88 -0.66 4.02 0.31 0.11 -1.63 118.33 123.76 3d96 n VAL 67 Ca -0.17 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 3d96 n VAL 67 Cb 0.52 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 3d96 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d96 n GLY 68 N 2.31 0.82 3.04 2.92 0.00 0.70 -5.02 105.19 109.96 3d96 n GLY 68 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 3d96 n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d96 s GLU 69 N -0.34 1.98 0.43 1.61 2.02 -0.64 -4.99 118.70 118.76 3d96 s GLU 69 Ca 0.00 -0.49 -0.25 0.00 0.02 0.00 0.00 54.97 54.25 3d96 s GLU 69 Cb 0.00 -1.67 -0.08 0.00 0.10 0.00 0.00 34.13 32.48 3d96 s GLU 69 CO 0.00 -0.02 1.35 -1.21 0.02 0.00 0.00 175.26 175.40 3d96 s GLU 70 N 0.85 3.82 0.20 1.61 2.02 -1.26 -4.54 118.70 121.40 3d96 s GLU 70 Ca -0.10 2.26 -0.06 0.00 0.02 0.00 0.00 54.97 57.08 3d96 s GLU 70 Cb -0.15 -2.69 -0.02 0.00 0.10 0.00 0.00 34.13 31.36 3d96 s GLU 70 CO 0.01 -0.65 0.26 -0.59 0.02 0.00 0.00 175.26 174.32 3d96 s PHE 71 N -1.25 0.71 -0.12 1.61 -0.71 -0.64 -4.97 117.98 112.62 3d96 s PHE 71 Ca 0.59 -1.02 -0.05 0.00 -1.04 0.00 0.00 56.93 55.41 3d96 s PHE 71 Cb -0.40 -0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.16 3d96 s PHE 71 CO 0.51 -0.76 0.05 -1.21 -1.34 0.00 0.00 175.22 172.48 3d96 s GLU 72 N -4.06 3.37 0.00 1.99 2.02 -1.26 -0.10 118.70 120.65 3d96 s GLU 72 Ca 0.28 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 54.94 3d96 s GLU 72 Cb 0.04 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.27 3d96 s GLU 72 CO 0.07 0.60 0.00 -0.85 0.02 0.00 0.00 175.26 175.10 3d96 n GLU 73 N 2.51 0.00 -4.37 1.61 0.28 -0.39 -4.91 120.64 115.37 3d96 n GLU 73 Ca -0.18 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.59 3d96 n GLU 73 Cb 0.54 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.28 3d96 n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3d96 s GLN 74 N 1.21 1.11 1.08 3.44 -0.21 -1.26 -0.97 119.66 124.07 3d96 s GLN 74 Ca 0.00 -1.01 -0.12 0.00 0.02 0.00 0.00 55.36 54.25 3d96 s GLN 74 Cb 0.00 -1.26 0.24 0.00 1.00 0.00 0.00 33.01 32.99 3d96 s GLN 74 CO 0.00 0.30 1.06 0.95 -2.12 0.00 0.00 175.29 175.48 3d96 s THR 75 N -1.03 2.10 0.53 -0.19 -4.23 0.57 -4.83 115.64 108.55 3d96 s THR 75 Ca 0.05 0.03 0.20 0.00 -1.18 0.00 0.00 61.69 60.78 3d96 s THR 75 Cb -0.09 -2.19 0.28 0.00 1.34 0.00 0.00 72.50 71.84 3d96 s THR 75 CO 0.03 -0.04 2.16 1.62 -0.54 0.00 0.00 174.62 177.84 3d96 h VAL 76 N -2.32 0.88 -0.34 2.29 3.04 -1.98 0.11 116.25 117.93 3d96 h VAL 76 Ca -0.57 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 3d96 h VAL 76 Cb 1.32 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 3d96 h VAL 76 CO 0.51 0.02 0.00 -0.90 -1.01 0.00 0.00 177.57 176.19 3d96 n ASP 77 N -4.31 2.07 0.00 3.17 5.75 -1.26 -4.95 116.55 117.01 3d96 n ASP 77 Ca -0.03 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 3d96 n ASP 77 Cb 0.11 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 3d96 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d96 n GLY 78 N 1.15 0.86 3.74 6.12 0.00 0.37 -5.06 105.19 112.37 3d96 n GLY 78 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3d96 n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d96 s ARG 79 N -0.75 4.40 0.32 1.61 0.52 -1.26 -4.79 118.95 119.01 3d96 s ARG 79 Ca 0.00 0.85 -0.29 0.00 -0.52 0.00 0.00 55.73 55.76 3d96 s ARG 79 Cb 0.00 -3.39 -0.11 0.00 0.52 0.00 0.00 34.95 31.97 3d96 s ARG 79 CO 0.00 0.23 1.50 -2.14 0.02 0.00 0.00 175.30 174.90 3d96 s PRO 80 N 0.24 4.17 0.03 3.54 0.02 -1.26 -0.31 135.00 141.43 3d96 s PRO 80 Ca 0.35 2.48 -0.08 0.00 0.02 0.00 0.00 61.00 63.77 3d96 s PRO 80 Cb -0.18 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.31 3d96 s PRO 80 CO 0.18 -0.51 0.16 0.00 -0.33 0.00 0.00 177.00 176.51 3d96 s LYS 82 N -2.17 4.23 0.23 0.00 2.20 0.36 -1.26 119.74 123.33 3d96 s LYS 82 Ca -0.08 0.44 0.11 0.00 -0.36 0.00 0.00 55.97 56.08 3d96 s LYS 82 Cb -0.03 -3.53 -0.05 0.00 -1.51 0.00 0.00 37.83 32.71 3d96 s LYS 82 CO -0.02 -0.07 -0.17 -1.12 -0.36 0.00 0.00 175.35 173.60 3d96 s SER 83 N 1.02 3.76 -0.11 1.43 0.01 0.85 -0.71 113.70 119.95 3d96 s SER 83 Ca 0.25 -0.84 -0.05 0.00 1.31 0.00 0.00 55.95 56.62 3d96 s SER 83 Cb -0.15 -0.42 0.05 0.00 0.21 0.00 0.00 66.02 65.71 3d96 s SER 83 CO 0.10 0.08 0.23 -0.22 0.41 0.00 0.00 173.24 173.84 3d96 s LEU 84 N -3.09 0.00 -0.15 2.44 2.96 -0.53 -1.62 118.68 118.69 3d96 s LEU 84 Ca 0.26 0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 54.62 3d96 s LEU 84 Cb -0.07 0.61 -0.04 0.00 0.50 0.00 0.00 46.19 47.20 3d96 s LEU 84 CO 0.14 -0.21 0.06 -0.69 -1.32 0.00 0.00 176.35 174.32 3d96 s VAL 85 N 1.99 4.79 0.13 1.68 1.01 -1.26 -1.69 120.40 127.06 3d96 s VAL 85 Ca -0.02 -0.04 0.06 0.00 0.00 0.00 0.00 61.98 61.97 3d96 s VAL 85 Cb -0.12 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3d96 s VAL 85 CO -0.08 0.52 -0.14 -1.59 0.00 0.00 0.00 175.10 173.82 3d96 s LYS 86 N -0.15 1.04 -0.22 2.72 0.00 -0.38 -0.22 119.74 122.54 3d96 s LYS 86 Ca 0.07 -1.28 -0.29 0.00 0.00 0.00 0.00 55.97 54.47 3d96 s LYS 86 Cb -0.12 -0.88 0.01 0.00 0.00 0.00 0.00 37.83 36.83 3d96 s LYS 86 CO 0.01 0.16 1.02 -1.58 0.00 0.00 0.00 175.35 174.97 3d96 s TRP 87 N -2.32 3.35 0.06 1.78 0.52 -1.26 -0.58 118.94 120.49 3d96 s TRP 87 Ca 0.10 1.45 -0.10 0.00 0.02 0.00 0.00 56.10 57.57 3d96 s TRP 87 Cb -0.04 -3.25 -0.30 0.00 -1.15 0.00 0.00 33.47 28.73 3d96 s TRP 87 CO 0.03 -0.46 1.09 1.49 0.02 0.00 0.00 176.95 179.12 3d96 h GLU 88 N 7.45 0.44 0.00 4.98 4.81 -1.39 -3.48 114.58 127.39 3d96 h GLU 88 Ca -0.20 -0.71 -0.03 0.00 -0.13 0.00 0.00 59.36 58.30 3d96 h GLU 88 Cb 1.07 0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.71 3d96 h GLU 88 CO 0.96 1.33 0.13 -1.13 -0.73 0.00 0.00 179.01 179.58 3d96 n SER 89 N -3.66 -1.21 -0.29 1.04 3.41 -1.15 -5.03 113.62 106.73 3d96 n SER 89 Ca -0.13 -1.87 0.09 0.00 -0.26 0.00 0.00 58.87 56.71 3d96 n SER 89 Cb 1.04 2.02 0.25 0.00 -0.26 0.00 0.00 64.21 67.26 3d96 n SER 89 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3d96 h GLU 90 N 0.00 0.49 -0.07 4.33 4.81 -2.02 -2.63 114.58 119.49 3d96 h GLU 90 Ca -0.18 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3d96 h GLU 90 Cb 0.66 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3d96 h GLU 90 CO 0.23 0.33 0.00 0.09 -0.73 0.00 0.00 179.01 178.92 3d96 n ASN 91 N -4.96 2.76 -3.66 1.04 3.02 -1.26 -3.92 115.26 108.29 3d96 n ASN 91 Ca 0.18 -3.03 -0.20 0.00 -0.03 0.00 0.00 54.58 51.51 3d96 n ASN 91 Cb 0.52 -0.45 -0.17 0.00 -0.61 0.00 0.00 39.78 39.07 3d96 n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3d96 s LYS 92 N -2.80 -0.03 -0.04 3.52 2.20 -0.99 -1.09 119.74 120.50 3d96 s LYS 92 Ca 0.34 0.39 0.02 0.00 -0.36 0.00 0.00 55.97 56.36 3d96 s LYS 92 Cb 0.29 -0.57 -0.03 0.00 -1.51 0.00 0.00 37.83 36.01 3d96 s LYS 92 CO 0.05 -0.36 -0.09 0.00 -0.36 0.00 0.00 175.35 174.58 3d96 s MET 93 N 2.20 2.60 -0.02 4.03 0.23 0.39 -0.97 119.30 127.76 3d96 s MET 93 Ca 0.04 -0.65 0.06 0.00 -1.03 0.00 0.00 55.69 54.12 3d96 s MET 93 Cb -0.12 -2.49 -0.01 0.00 -1.53 0.00 0.00 34.83 30.67 3d96 s MET 93 CO -0.04 0.63 -0.21 0.08 -2.03 0.00 0.00 175.02 173.45 3d96 s VAL 94 N -0.84 1.68 -0.14 5.16 1.01 0.26 -1.83 120.40 125.70 3d96 s VAL 94 Ca 0.13 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.23 3d96 s VAL 94 Cb -0.11 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.88 3d96 s VAL 94 CO 0.03 0.48 -0.18 0.00 0.00 0.00 0.00 175.10 175.43 3d96 s GLU 96 N 1.09 3.81 -0.07 0.00 -1.05 -0.68 -2.31 118.70 119.49 3d96 s GLU 96 Ca -0.03 0.13 0.04 0.00 -0.15 0.00 0.00 54.97 54.97 3d96 s GLU 96 Cb -0.14 -3.26 -0.02 0.00 -0.44 0.00 0.00 34.13 30.28 3d96 s GLU 96 CO -0.05 0.62 -0.20 -0.65 0.95 0.00 0.00 175.26 175.93 3d96 s GLN 97 N -0.71 2.69 -0.13 -4.83 -0.21 -1.20 -1.46 119.66 113.80 3d96 s GLN 97 Ca 0.19 -0.82 0.00 0.00 0.02 0.00 0.00 55.36 54.75 3d96 s GLN 97 Cb -0.14 -2.30 0.02 0.00 1.00 0.00 0.00 33.01 31.59 3d96 s GLN 97 CO 0.08 0.41 -0.12 0.15 -2.12 0.00 0.00 175.29 173.69 3d96 s LYS 98 N -0.21 2.03 0.45 2.91 3.01 0.11 -4.65 119.74 123.39 3d96 s LYS 98 Ca -0.01 -0.46 -0.25 0.00 -1.01 0.00 0.00 55.97 54.24 3d96 s LYS 98 Cb -0.13 -1.91 -0.08 0.00 -1.01 0.00 0.00 37.83 34.69 3d96 s LYS 98 CO 0.03 -0.23 1.44 -0.51 0.51 0.00 0.00 175.35 176.59 3d96 s LEU 99 N 1.51 4.11 0.21 3.17 1.43 -1.26 -0.48 118.68 127.37 3d96 s LEU 99 Ca 0.04 2.94 0.06 0.00 -1.03 0.00 0.00 54.13 56.14 3d96 s LEU 99 Cb -0.13 -3.93 0.15 0.00 0.03 0.00 0.00 46.19 42.31 3d96 s LEU 99 CO -0.09 -1.19 1.48 -0.07 0.23 0.00 0.00 176.35 176.72 3d96 h LEU 100 N 2.32 0.14 -7.93 1.79 3.38 -1.67 -3.44 115.31 109.90 3d96 h LEU 100 Ca -0.51 -0.10 -0.51 0.00 0.09 0.00 0.00 57.88 56.85 3d96 h LEU 100 Cb 1.27 -0.04 -0.34 0.00 0.09 0.00 0.00 40.66 41.64 3d96 h LEU 100 CO 0.61 0.83 -0.81 -0.54 0.09 0.00 0.00 178.44 178.62 3d96 s LYS 101 N -3.40 1.62 1.81 1.13 1.02 -1.26 -5.10 119.74 115.56 3d96 s LYS 101 Ca -0.02 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 55.59 3d96 s LYS 101 Cb 0.11 -1.39 0.00 0.00 -0.52 0.00 0.00 37.83 36.03 3d96 s LYS 101 CO 0.80 -0.01 0.00 0.41 -0.92 0.00 0.00 175.35 175.62 3d96 n GLY 102 N 3.96 -1.56 3.21 -3.33 0.00 -1.26 -4.98 105.19 101.22 3d96 n GLY 102 Ca -0.22 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 3d96 n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d96 s GLU 103 N 0.00 1.04 -0.06 1.61 2.02 -1.26 -4.81 118.70 117.24 3d96 s GLU 103 Ca 0.00 -1.50 -0.30 0.00 0.02 0.00 0.00 54.97 53.19 3d96 s GLU 103 Cb 0.00 -0.05 0.10 0.00 0.10 0.00 0.00 34.13 34.28 3d96 s GLU 103 CO 0.00 -0.19 1.34 0.20 0.02 0.00 0.00 175.26 176.63 3d96 s GLY 104 N -3.13 -0.20 0.59 -1.39 0.00 -1.26 -5.13 107.32 96.81 3d96 s GLY 104 Ca 0.24 0.15 -0.19 0.00 0.00 0.00 0.00 44.72 44.92 3d96 s GLY 104 CO 0.03 6.06 1.05 -1.05 0.00 0.00 0.00 173.10 179.19 3d96 n PRO 105 N -0.93 1.04 -2.35 2.90 -0.02 -1.26 -4.92 135.00 129.47 3d96 n PRO 105 Ca 0.05 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 3d96 n PRO 105 Cb 0.59 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 3d96 n PRO 105 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3d96 s LYS 106 N -2.79 4.34 0.12 -0.52 2.20 -1.26 -4.81 119.74 117.02 3d96 s LYS 106 Ca 0.75 1.82 0.11 0.00 -0.36 0.00 0.00 55.97 58.29 3d96 s LYS 106 Cb -0.42 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.35 3d96 s LYS 106 CO 0.47 -0.46 -0.27 0.95 -0.36 0.00 0.00 175.35 175.69 3d96 s THR 107 N 2.01 2.21 0.28 3.43 -4.23 -1.26 -0.70 115.64 117.38 3d96 s THR 107 Ca 0.60 -1.71 -0.14 0.00 -1.18 0.00 0.00 61.69 59.27 3d96 s THR 107 Cb -0.29 -1.95 0.01 0.00 1.34 0.00 0.00 72.50 71.61 3d96 s THR 107 CO 0.25 0.11 0.56 -0.94 -0.54 0.00 0.00 174.62 174.06 3d96 s SER 108 N -1.96 -0.01 0.08 3.99 1.04 -0.88 -3.25 113.70 112.71 3d96 s SER 108 Ca 0.13 -0.95 -0.16 0.00 0.48 0.00 0.00 55.95 55.45 3d96 s SER 108 Cb -0.10 0.65 0.03 0.00 0.10 0.00 0.00 66.02 66.70 3d96 s SER 108 CO 0.05 -1.25 0.39 -1.66 0.98 0.00 0.00 173.24 171.75 3d96 s TRP 109 N -3.73 -0.20 0.04 5.02 1.48 -0.98 -1.68 118.94 118.89 3d96 s TRP 109 Ca 0.20 0.03 0.02 0.00 -1.06 0.00 0.00 56.10 55.29 3d96 s TRP 109 Cb -0.02 0.21 -0.02 0.00 -1.16 0.00 0.00 33.47 32.47 3d96 s TRP 109 CO 0.10 -0.61 -0.08 0.95 -4.06 0.00 0.00 176.95 173.24 3d96 s THR 110 N -3.07 0.60 -0.03 0.66 -4.23 0.19 -0.24 115.64 109.51 3d96 s THR 110 Ca -0.01 -0.98 0.01 0.00 -1.18 0.00 0.00 61.69 59.53 3d96 s THR 110 Cb 0.01 -0.63 0.01 0.00 1.34 0.00 0.00 72.50 73.23 3d96 s THR 110 CO -0.07 -0.28 -0.06 -0.13 -0.54 0.00 0.00 174.62 173.54 3d96 s ARG 111 N -1.38 0.83 0.00 3.99 0.52 -0.76 -1.04 118.95 121.11 3d96 s ARG 111 Ca -0.07 -0.17 -0.10 0.00 -0.52 0.00 0.00 55.73 54.87 3d96 s ARG 111 Cb -0.09 -0.80 0.01 0.00 0.52 0.00 0.00 34.95 34.59 3d96 s ARG 111 CO 0.01 -0.01 0.21 -1.83 0.02 0.00 0.00 175.30 173.69 3d96 s GLU 112 N 0.60 0.58 -0.13 3.54 -1.05 -0.52 -0.46 118.70 121.26 3d96 s GLU 112 Ca -0.08 -0.36 -0.05 0.00 -0.15 0.00 0.00 54.97 54.33 3d96 s GLU 112 Cb -0.12 0.25 -0.04 0.00 -0.44 0.00 0.00 34.13 33.78 3d96 s GLU 112 CO 0.00 -0.15 0.05 -0.51 0.95 0.00 0.00 175.26 175.60 3d96 s LEU 113 N -1.46 3.83 0.42 1.83 1.43 -0.25 -0.52 118.68 123.95 3d96 s LEU 113 Ca -0.13 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 3d96 s LEU 113 Cb -0.06 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 3d96 s LEU 113 CO 0.02 0.31 0.61 0.42 0.23 0.00 0.00 176.35 177.94 3d96 s THR 114 N -0.44 4.00 0.37 5.49 -4.23 0.21 -4.85 115.64 116.18 3d96 s THR 114 Ca 0.09 -0.64 0.06 0.00 -1.18 0.00 0.00 61.69 60.02 3d96 s THR 114 Cb -0.12 -3.45 0.29 0.00 1.34 0.00 0.00 72.50 70.56 3d96 s THR 114 CO 0.02 -0.28 1.97 -1.13 -0.54 0.00 0.00 174.62 174.67 3d96 h ASN 115 N 0.53 0.63 0.00 3.99 -1.24 -2.00 -1.86 115.58 115.64 3d96 h ASN 115 Ca -0.46 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.55 3d96 h ASN 115 Cb 1.25 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.17 3d96 h ASN 115 CO 0.56 0.42 0.00 0.47 -1.29 0.00 0.00 177.43 177.59 3d96 n ASP 116 N -4.47 0.00 0.00 1.15 8.00 -1.26 -4.86 116.55 115.10 3d96 n ASP 116 Ca 0.09 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.74 3d96 n ASP 116 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 3d96 n ASP 116 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d96 n GLY 117 N 0.36 0.47 3.83 0.44 0.00 -0.70 -5.05 105.19 104.54 3d96 n GLY 117 Ca 0.13 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 3d96 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d96 s GLU 118 N -1.70 4.09 -0.25 1.61 2.02 -1.26 -4.48 118.70 118.73 3d96 s GLU 118 Ca 0.00 0.68 -0.08 0.00 0.02 0.00 0.00 54.97 55.59 3d96 s GLU 118 Cb 0.00 -2.79 -0.03 0.00 0.10 0.00 0.00 34.13 31.40 3d96 s GLU 118 CO 0.00 0.37 0.10 -1.17 0.02 0.00 0.00 175.26 174.58 3d96 s LEU 119 N -2.22 3.60 -0.28 1.80 2.96 -0.63 -0.62 118.68 123.29 3d96 s LEU 119 Ca 0.44 -0.14 -0.08 0.00 -0.22 0.00 0.00 54.13 54.13 3d96 s LEU 119 Cb -0.15 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 3d96 s LEU 119 CO 0.20 -0.02 0.10 -0.63 -1.32 0.00 0.00 176.35 174.68 3d96 s ILE 120 N 1.54 4.27 -0.25 6.68 1.01 0.32 -0.61 121.20 134.18 3d96 s ILE 120 Ca 0.06 -0.43 -0.09 0.00 0.00 0.00 0.00 60.65 60.19 3d96 s ILE 120 Cb -0.15 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 3d96 s ILE 120 CO 0.05 0.17 0.12 -0.22 0.00 0.00 0.00 174.94 175.06 3d96 s LEU 121 N 1.57 3.80 -0.07 2.97 2.96 0.38 -1.43 118.68 128.85 3d96 s LEU 121 Ca 0.05 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3d96 s LEU 121 Cb -0.16 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 3d96 s LEU 121 CO 0.04 0.01 -0.11 0.42 -1.32 0.00 0.00 176.35 175.39 3d96 s THR 122 N 1.35 3.31 -0.03 3.68 -4.23 -0.20 -0.27 115.64 119.24 3d96 s THR 122 Ca 0.06 -0.62 0.05 0.00 -1.18 0.00 0.00 61.69 60.00 3d96 s THR 122 Cb -0.15 -2.34 -0.01 0.00 1.34 0.00 0.00 72.50 71.35 3d96 s THR 122 CO 0.06 0.58 -0.18 -0.04 -0.54 0.00 0.00 174.62 174.50 3d96 s MET 123 N -0.53 1.67 0.08 3.99 -1.94 0.00 -0.64 119.30 121.93 3d96 s MET 123 Ca 0.07 -0.63 0.07 0.00 -1.71 0.00 0.00 55.69 53.49 3d96 s MET 123 Cb -0.12 -1.51 -0.03 0.00 2.01 0.00 0.00 34.83 35.18 3d96 s MET 123 CO 0.02 0.31 -0.18 0.99 -0.01 0.00 0.00 175.02 176.15 3d96 s THR 124 N -0.17 1.47 -0.14 2.05 2.01 -0.67 -0.38 115.64 119.80 3d96 s THR 124 Ca 0.01 -1.35 -0.04 0.00 0.31 0.00 0.00 61.69 60.61 3d96 s THR 124 Cb -0.10 -1.34 0.06 0.00 0.01 0.00 0.00 72.50 71.13 3d96 s THR 124 CO 0.01 -0.05 0.10 0.00 -0.69 0.00 0.00 174.62 173.99 3d96 s ALA 125 N -1.09 0.27 0.00 7.40 0.00 -0.53 -2.07 121.76 125.74 3d96 s ALA 125 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3d96 s ALA 125 Cb -0.10 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.05 3d96 s ALA 125 CO 0.03 -1.01 0.00 -0.25 0.00 0.00 0.00 175.76 174.52 3d96 n ASP 126 N 5.29 0.00 -1.24 0.00 8.00 0.12 -1.19 116.55 127.53 3d96 n ASP 126 Ca -0.06 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.55 3d96 n ASP 126 Cb 0.49 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.87 3d96 n ASP 126 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3d96 n ASP 127 N 7.08 3.72 -4.76 -2.24 5.75 -1.26 -4.93 116.55 119.91 3d96 n ASP 127 Ca 0.00 -1.99 -0.38 0.00 -0.01 0.00 0.00 54.79 52.41 3d96 n ASP 127 Cb 0.00 -0.39 -0.06 0.00 -1.03 0.00 0.00 41.12 39.64 3d96 n ASP 127 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3d96 s VAL 128 N -1.17 5.13 -0.10 2.12 1.01 -0.34 -5.07 120.40 121.99 3d96 s VAL 128 Ca 0.44 0.88 0.02 0.00 0.00 0.00 0.00 61.98 63.32 3d96 s VAL 128 Cb 0.24 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.86 3d96 s VAL 128 CO 0.32 0.42 -0.16 -0.69 0.00 0.00 0.00 175.10 174.98 3d96 s VAL 129 N 0.01 1.54 -0.12 2.92 1.01 -1.26 -1.45 120.40 123.05 3d96 s VAL 129 Ca 0.24 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 3d96 s VAL 129 Cb -0.15 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 3d96 s VAL 129 CO 0.11 0.45 -0.10 0.00 0.00 0.00 0.00 175.10 175.55 3d96 s THR 131 N 0.09 2.28 -0.03 0.00 2.01 -0.62 -0.82 115.64 118.56 3d96 s THR 131 Ca -0.04 -0.96 0.04 0.00 0.31 0.00 0.00 61.69 61.04 3d96 s THR 131 Cb -0.14 -1.87 -0.00 0.00 0.01 0.00 0.00 72.50 70.49 3d96 s THR 131 CO 0.04 0.56 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.85 3d96 s LYS 132 N 0.07 1.35 -0.05 4.92 1.02 0.63 -0.24 119.74 127.44 3d96 s LYS 132 Ca -0.10 -0.49 0.05 0.00 0.02 0.00 0.00 55.97 55.45 3d96 s LYS 132 Cb -0.16 -1.23 -0.01 0.00 -0.52 0.00 0.00 37.83 35.91 3d96 s LYS 132 CO 0.06 0.23 -0.21 0.08 -0.92 0.00 0.00 175.35 174.58 3d96 s VAL 133 N -0.03 1.77 0.21 3.17 1.01 -0.37 -0.47 120.40 125.68 3d96 s VAL 133 Ca -0.01 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.15 3d96 s VAL 133 Cb -0.09 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 3d96 s VAL 133 CO 0.01 0.50 -0.17 -0.36 0.00 0.00 0.00 175.10 175.08 3d96 s PHE 134 N -0.08 1.85 0.19 5.22 0.40 0.22 -0.22 117.98 125.56 3d96 s PHE 134 Ca -0.03 -0.50 0.05 0.00 -0.60 0.00 0.00 56.93 55.85 3d96 s PHE 134 Cb -0.13 -0.86 -0.05 0.00 0.51 0.00 0.00 43.02 42.49 3d96 s PHE 134 CO 0.03 0.42 -0.07 0.14 0.70 0.00 0.00 175.22 176.43 3d96 s VAL 135 N -2.63 1.26 0.44 -0.44 -7.23 -0.05 -1.60 120.40 110.15 3d96 s VAL 135 Ca 0.22 -2.08 -0.23 0.00 -1.81 0.00 0.00 61.98 58.08 3d96 s VAL 135 Cb -0.03 -2.08 -0.08 0.00 0.56 0.00 0.00 36.38 34.75 3d96 s VAL 135 CO 0.08 -0.55 1.10 -0.13 -0.31 0.00 0.00 175.10 175.29 3d96 s ARG 136 N -3.77 3.91 0.00 4.82 0.52 -1.26 -0.66 118.95 122.52 3d96 s ARG 136 Ca 0.22 1.60 0.29 0.00 -0.52 0.00 0.00 55.73 57.33 3d96 s ARG 136 Cb 0.03 -2.40 1.33 0.00 0.52 0.00 0.00 34.95 34.43 3d96 s ARG 136 CO 0.05 -0.38 1.90 0.39 0.02 0.00 0.00 175.30 177.28