#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d95 s ASN 2 N 0.00 4.96 0.00 3.54 2.47 -1.26 -4.95 114.94 119.69 3d95 s ASN 2 Ca 0.00 -2.12 0.26 0.00 0.42 0.00 0.00 52.86 51.42 3d95 s ASN 2 Cb 0.00 -1.71 0.67 0.00 -1.45 0.00 0.00 41.25 38.76 3d95 s ASN 2 CO 0.00 -0.44 1.51 0.49 -3.72 0.00 0.00 177.10 174.94 3d95 n PHE 3 N 4.38 0.00 -1.85 0.43 3.01 -1.26 -4.97 117.46 117.20 3d95 n PHE 3 Ca 0.02 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.07 3d95 n PHE 3 Cb 0.42 -0.07 -0.01 0.00 -0.01 0.00 0.00 39.48 39.81 3d95 n PHE 3 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3d95 s SER 4 N -2.36 6.43 0.00 4.37 0.01 -1.26 -4.69 113.70 116.20 3d95 s SER 4 Ca 0.27 2.96 0.00 0.00 1.31 0.00 0.00 55.95 60.48 3d95 s SER 4 Cb 0.19 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.77 3d95 s SER 4 CO 0.47 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.91 3d95 n GLY 5 N 1.00 2.12 3.12 3.44 0.00 -0.68 -4.97 105.19 109.22 3d95 n GLY 5 Ca 0.03 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 3d95 n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d95 s ASN 6 N 0.00 5.36 -0.15 1.61 0.01 -1.26 -1.07 114.94 119.45 3d95 s ASN 6 Ca 0.00 -2.49 -0.16 0.00 -0.71 0.00 0.00 52.86 49.50 3d95 s ASN 6 Cb 0.00 -1.88 -0.04 0.00 0.41 0.00 0.00 41.25 39.74 3d95 s ASN 6 CO 0.00 -0.47 0.39 0.26 -1.51 0.00 0.00 177.10 175.77 3d95 s TRP 7 N 0.47 3.47 0.02 2.20 0.52 0.10 -0.85 118.94 124.89 3d95 s TRP 7 Ca 0.13 0.73 0.06 0.00 0.02 0.00 0.00 56.10 57.04 3d95 s TRP 7 Cb -0.21 -2.46 -0.03 0.00 -1.15 0.00 0.00 33.47 29.62 3d95 s TRP 7 CO -0.04 0.18 -0.15 -1.59 0.02 0.00 0.00 176.95 175.37 3d95 s LYS 8 N 0.63 2.23 0.30 4.98 -2.85 0.17 -1.24 119.74 123.97 3d95 s LYS 8 Ca 0.21 -0.89 -0.28 0.00 -1.00 0.00 0.00 55.97 54.01 3d95 s LYS 8 Cb -0.14 -2.28 -0.09 0.00 -2.06 0.00 0.00 37.83 33.25 3d95 s LYS 8 CO 0.07 0.56 1.04 -1.50 0.10 0.00 0.00 175.35 175.62 3d95 s ILE 9 N -0.92 3.74 -0.01 3.79 2.07 -1.22 -1.46 121.20 127.20 3d95 s ILE 9 Ca 0.15 1.63 0.01 0.00 -1.41 0.00 0.00 60.65 61.03 3d95 s ILE 9 Cb -0.11 -3.99 -0.02 0.00 0.13 0.00 0.00 42.46 38.48 3d95 s ILE 9 CO 0.05 0.29 0.02 2.30 -1.91 0.00 0.00 174.94 175.70 3d95 n ILE 10 N 0.92 0.05 -3.67 2.00 -5.35 0.47 -4.91 119.36 108.86 3d95 n ILE 10 Ca 0.00 -0.05 -0.15 0.00 -0.27 0.00 0.00 62.75 62.28 3d95 n ILE 10 Cb 0.47 -0.20 -0.08 0.00 -1.74 0.00 0.00 39.64 38.09 3d95 n ILE 10 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3d95 s ARG 11 N -2.08 0.81 -0.08 6.28 0.52 -1.11 -4.99 118.95 118.30 3d95 s ARG 11 Ca -0.01 0.01 -0.08 0.00 -0.52 0.00 0.00 55.73 55.13 3d95 s ARG 11 Cb 0.01 0.37 0.02 0.00 0.52 0.00 0.00 34.95 35.87 3d95 s ARG 11 CO 0.06 -0.23 0.23 0.45 0.02 0.00 0.00 175.30 175.83 3d95 s SER 12 N -1.22 -0.22 -0.01 0.23 0.15 -1.26 -1.04 113.70 110.33 3d95 s SER 12 Ca -0.12 0.41 -0.02 0.00 0.70 0.00 0.00 55.95 56.91 3d95 s SER 12 Cb -0.03 0.45 -0.00 0.00 -1.71 0.00 0.00 66.02 64.73 3d95 s SER 12 CO 0.06 -0.12 0.05 -1.83 1.20 0.00 0.00 173.24 172.60 3d95 s GLU 13 N -0.04 0.21 -0.97 5.44 -1.05 0.03 -4.93 118.70 117.39 3d95 s GLU 13 Ca -0.02 -0.21 0.00 0.00 -0.15 0.00 0.00 54.97 54.60 3d95 s GLU 13 Cb -0.02 0.09 0.00 0.00 -0.44 0.00 0.00 34.13 33.75 3d95 s GLU 13 CO 0.01 -0.04 0.00 0.09 0.95 0.00 0.00 175.26 176.27 3d95 n ASN 14 N 2.34 -4.42 0.19 0.83 3.02 -1.26 -1.85 115.26 114.10 3d95 n ASN 14 Ca -0.18 0.23 -0.15 0.00 -0.03 0.00 0.00 54.58 54.46 3d95 n ASN 14 Cb 0.57 -2.72 -0.08 0.00 -0.61 0.00 0.00 39.78 36.94 3d95 n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3d95 h PHE 15 N 0.00 -0.40 -0.59 3.10 3.57 -1.91 -0.81 116.94 119.90 3d95 h PHE 15 Ca -0.19 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.25 3d95 h PHE 15 Cb 0.70 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 3d95 h PHE 15 CO 0.32 -0.18 0.16 0.93 -2.23 0.00 0.00 178.31 177.31 3d95 h GLU 16 N -0.52 0.90 -0.86 1.11 5.08 -1.95 -2.41 114.58 115.92 3d95 h GLU 16 Ca -0.04 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.16 3d95 h GLU 16 Cb 0.39 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 3d95 h GLU 16 CO 0.07 0.79 0.56 1.49 -1.00 0.00 0.00 179.01 180.92 3d95 h GLU 17 N 0.87 1.07 -0.25 2.33 4.57 -1.93 0.24 114.58 121.48 3d95 h GLU 17 Ca 0.19 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 3d95 h GLU 17 Cb 0.28 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 3d95 h GLU 17 CO -0.00 0.71 0.12 1.25 -1.18 0.00 0.00 179.01 179.90 3d95 h LEU 18 N 1.10 0.34 -1.06 1.64 5.85 -0.82 -1.43 115.31 120.92 3d95 h LEU 18 Ca 0.34 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.95 3d95 h LEU 18 Cb -0.02 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 3d95 h LEU 18 CO -0.11 0.37 0.64 -0.07 -0.34 0.00 0.00 178.44 178.93 3d95 h LEU 19 N 0.28 1.09 -0.38 2.25 3.38 -1.05 -2.46 115.31 118.41 3d95 h LEU 19 Ca 0.09 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3d95 h LEU 19 Cb 0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3d95 h LEU 19 CO -0.01 0.78 0.16 0.50 0.09 0.00 0.00 178.44 179.96 3d95 h LYS 20 N 1.28 0.57 0.00 1.13 3.64 -0.59 -1.84 116.57 120.76 3d95 h LYS 20 Ca 0.36 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.59 3d95 h LYS 20 Cb -0.11 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3d95 h LYS 20 CO -0.09 0.54 -0.23 -0.24 -2.27 0.00 0.00 179.45 177.16 3d95 h VAL 21 N 0.47 0.61 0.00 2.00 3.04 -1.08 -1.68 116.25 119.61 3d95 h VAL 21 Ca 0.13 -1.06 0.00 0.00 -1.01 0.00 0.00 66.70 64.76 3d95 h VAL 21 Cb 0.18 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 3d95 h VAL 21 CO -0.01 0.22 0.00 0.18 -1.01 0.00 0.00 177.57 176.95 3d95 n LEU 22 N -3.47 0.00 0.00 3.16 4.77 -0.94 -4.92 117.00 115.60 3d95 n LEU 22 Ca -0.00 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 3d95 n LEU 22 Cb 0.40 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3d95 n LEU 22 CO 0.33 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3d95 n GLY 23 N 0.78 0.88 3.71 -0.72 0.00 -0.63 -5.06 105.19 104.14 3d95 n GLY 23 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3d95 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d95 s VAL 24 N -2.03 3.82 0.80 1.61 1.01 -0.73 -5.00 120.40 119.89 3d95 s VAL 24 Ca 0.00 1.31 -0.11 0.00 0.00 0.00 0.00 61.98 63.17 3d95 s VAL 24 Cb 0.00 -3.84 0.07 0.00 0.00 0.00 0.00 36.38 32.62 3d95 s VAL 24 CO 0.00 0.10 1.09 0.54 0.00 0.00 0.00 175.10 176.83 3d95 s ASN 25 N 1.09 4.36 0.31 3.32 2.20 -1.26 -4.49 114.94 120.47 3d95 s ASN 25 Ca 0.60 1.53 0.01 0.00 -0.94 0.00 0.00 52.86 54.06 3d95 s ASN 25 Cb -0.32 -2.26 0.49 0.00 -2.00 0.00 0.00 41.25 37.16 3d95 s ASN 25 CO 0.29 -2.08 1.86 1.62 -2.94 0.00 0.00 177.10 175.85 3d95 h VAL 26 N -1.16 1.21 -0.28 3.54 3.04 -1.99 -0.50 116.25 120.11 3d95 h VAL 26 Ca -0.46 -0.75 0.02 0.00 -1.01 0.00 0.00 66.70 64.50 3d95 h VAL 26 Cb 1.25 0.72 -0.02 0.00 -2.01 0.00 0.00 31.29 31.23 3d95 h VAL 26 CO 0.56 0.28 0.13 0.24 -1.01 0.00 0.00 177.57 177.76 3d95 h MET 27 N 0.70 0.26 -0.17 4.17 2.86 -2.00 -1.16 114.93 119.59 3d95 h MET 27 Ca 0.16 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.69 3d95 h MET 27 Cb 0.27 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 3d95 h MET 27 CO -0.00 0.17 -0.31 -0.07 1.06 0.00 0.00 176.91 177.76 3d95 h LEU 28 N 0.27 0.35 -0.60 1.22 3.38 -1.76 -1.40 115.31 116.76 3d95 h LEU 28 Ca 0.12 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3d95 h LEU 28 Cb 0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3d95 h LEU 28 CO -0.09 0.65 0.09 0.03 0.09 0.00 0.00 178.44 179.21 3d95 h ARG 29 N 0.30 1.00 -0.07 1.13 3.08 -0.71 -0.38 114.38 118.74 3d95 h ARG 29 Ca 0.04 -0.27 -0.13 0.00 0.07 0.00 0.00 59.98 59.69 3d95 h ARG 29 Cb 0.70 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3d95 h ARG 29 CO 0.05 0.94 -0.55 0.87 -1.07 0.00 0.00 179.97 180.22 3d95 h LYS 30 N 0.90 0.19 -0.61 0.04 1.79 -0.93 -1.09 116.57 116.87 3d95 h LYS 30 Ca 0.18 -0.12 -0.05 0.00 -2.18 0.00 0.00 60.65 58.48 3d95 h LYS 30 Cb 0.43 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.07 3d95 h LYS 30 CO 0.01 0.69 0.18 0.82 -1.08 0.00 0.00 179.45 180.07 3d95 h ILE 31 N 0.15 1.25 -0.87 1.86 2.04 -1.12 -2.31 117.51 118.52 3d95 h ILE 31 Ca 0.00 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.00 3d95 h ILE 31 Cb 1.01 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 3d95 h ILE 31 CO 0.08 0.33 0.55 0.00 0.00 0.00 0.00 178.15 179.11 3d95 h ALA 32 N 1.06 1.34 -0.33 1.87 0.00 -0.58 -0.78 119.26 121.83 3d95 h ALA 32 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3d95 h ALA 32 Cb 0.31 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3d95 h ALA 32 CO -0.00 0.59 0.21 0.28 0.00 0.00 0.00 179.25 180.33 3d95 h VAL 33 N 1.19 1.10 -0.78 0.00 2.07 -0.98 -1.54 116.25 117.31 3d95 h VAL 33 Ca 0.32 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.63 3d95 h VAL 33 Cb -0.10 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 3d95 h VAL 33 CO -0.06 0.10 0.51 0.00 0.02 0.00 0.00 177.57 178.14 3d95 h ALA 34 N 1.10 1.00 0.00 1.67 0.00 -0.93 -2.08 119.26 120.02 3d95 h ALA 34 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3d95 h ALA 34 Cb -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3d95 h ALA 34 CO -0.02 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.60 3d95 n ALA 35 N -2.32 2.05 -0.41 0.00 0.00 -0.34 -2.57 120.51 116.92 3d95 n ALA 35 Ca 0.08 -0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3d95 n ALA 35 Cb 0.04 -1.35 0.28 0.00 0.00 0.00 0.00 19.45 18.42 3d95 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d95 n ALA 36 N -1.39 2.51 -1.87 0.00 0.00 -0.61 -4.53 120.51 114.63 3d95 n ALA 36 Ca 0.08 -1.38 -0.41 0.00 0.00 0.00 0.00 53.44 51.72 3d95 n ALA 36 Cb 0.21 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 3d95 n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3d95 s SER 37 N -1.03 6.60 -1.17 0.00 0.01 -1.06 -3.54 113.70 113.50 3d95 s SER 37 Ca 0.42 2.71 -0.07 0.00 1.31 0.00 0.00 55.95 60.32 3d95 s SER 37 Cb 0.24 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 3d95 s SER 37 CO 0.25 -0.76 0.82 0.29 0.41 0.00 0.00 173.24 174.26 3d95 n LYS 38 N 2.57 -3.38 -2.58 12.44 4.76 -1.26 -1.62 118.16 129.09 3d95 n LYS 38 Ca 0.08 0.68 -0.41 0.00 -2.87 0.00 0.00 58.31 55.79 3d95 n LYS 38 Cb 0.39 -5.20 -0.04 0.00 -1.84 0.00 0.00 35.03 28.34 3d95 n LYS 38 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3d95 s PRO 39 N -5.42 4.63 0.04 1.97 0.04 -1.23 -4.49 135.00 130.53 3d95 s PRO 39 Ca 0.26 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.94 3d95 s PRO 39 Cb -0.06 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 3d95 s PRO 39 CO 0.79 0.13 -0.04 0.00 0.04 0.00 0.00 177.00 177.92 3d95 s ALA 40 N -0.19 0.34 -0.18 8.56 0.00 -0.52 -3.38 121.76 126.39 3d95 s ALA 40 Ca 0.48 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 3d95 s ALA 40 Cb -0.28 0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.07 3d95 s ALA 40 CO 0.33 -0.21 -0.04 0.08 0.00 0.00 0.00 175.76 175.92 3d95 s VAL 41 N -2.30 1.11 -0.25 0.00 1.01 -0.37 -1.84 120.40 117.75 3d95 s VAL 41 Ca -0.07 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 3d95 s VAL 41 Cb -0.04 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 3d95 s VAL 41 CO -0.04 0.03 0.30 -0.70 0.00 0.00 0.00 175.10 174.69 3d95 s GLU 42 N 1.62 4.04 -0.12 2.72 2.12 0.19 -0.72 118.70 128.56 3d95 s GLU 42 Ca -0.01 -0.06 0.02 0.00 0.36 0.00 0.00 54.97 55.28 3d95 s GLU 42 Cb -0.16 -3.61 -0.00 0.00 0.26 0.00 0.00 34.13 30.61 3d95 s GLU 42 CO -0.07 -0.14 -0.20 0.42 -0.54 0.00 0.00 175.26 174.72 3d95 s ILE 43 N 1.66 2.36 -0.28 -3.70 1.01 -0.23 -0.87 121.20 121.15 3d95 s ILE 43 Ca 0.13 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.86 3d95 s ILE 43 Cb -0.15 -1.94 0.04 0.00 0.01 0.00 0.00 42.46 40.42 3d95 s ILE 43 CO 0.09 0.55 -0.03 -1.59 0.00 0.00 0.00 174.94 173.95 3d95 s LYS 44 N 0.43 2.55 -0.20 2.79 0.00 -0.17 -1.69 119.74 123.46 3d95 s LYS 44 Ca -0.15 -1.17 -0.06 0.00 0.00 0.00 0.00 55.97 54.59 3d95 s LYS 44 Cb -0.17 -3.09 -0.03 0.00 0.00 0.00 0.00 37.83 34.54 3d95 s LYS 44 CO 0.06 -0.54 0.02 -1.14 0.00 0.00 0.00 175.35 173.75 3d95 s GLN 45 N 1.26 3.70 -0.61 1.78 0.74 -1.26 -1.15 119.66 124.12 3d95 s GLN 45 Ca -0.04 -0.48 0.04 0.00 0.05 0.00 0.00 55.36 54.93 3d95 s GLN 45 Cb -0.19 -3.11 0.15 0.00 1.10 0.00 0.00 33.01 30.96 3d95 s GLN 45 CO -0.03 0.07 0.38 -1.21 -0.55 0.00 0.00 175.29 173.95 3d95 s GLU 46 N 0.87 2.18 6.99 1.67 2.02 0.81 -4.89 118.70 128.35 3d95 s GLU 46 Ca 0.01 -2.96 0.00 0.00 0.02 0.00 0.00 54.97 52.04 3d95 s GLU 46 Cb -0.14 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.78 3d95 s GLU 46 CO 0.02 -1.20 0.00 0.41 0.02 0.00 0.00 175.26 174.51 3d95 n GLY 47 N 2.55 2.58 0.69 -1.39 0.00 -1.26 -1.47 105.19 106.88 3d95 n GLY 47 Ca 0.13 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.36 3d95 n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d95 n ASP 48 N 10.22 2.08 -4.51 1.61 5.75 -1.26 -4.89 116.55 125.55 3d95 n ASP 48 Ca 0.00 -1.75 -0.34 0.00 -0.01 0.00 0.00 54.79 52.70 3d95 n ASP 48 Cb 0.00 -0.10 -0.12 0.00 -1.03 0.00 0.00 41.12 39.87 3d95 n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3d95 s THR 49 N -1.80 3.65 -0.00 2.12 2.01 -0.54 -0.87 115.64 120.21 3d95 s THR 49 Ca 0.34 -0.47 0.06 0.00 0.31 0.00 0.00 61.69 61.93 3d95 s THR 49 Cb 0.19 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 3d95 s THR 49 CO 0.29 0.54 -0.19 -0.36 -0.69 0.00 0.00 174.62 174.21 3d95 s PHE 50 N -0.10 1.66 -0.17 4.92 0.40 0.71 -0.14 117.98 125.27 3d95 s PHE 50 Ca 0.01 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 3d95 s PHE 50 Cb -0.13 -1.06 0.02 0.00 0.51 0.00 0.00 43.02 42.36 3d95 s PHE 50 CO 0.03 -0.01 -0.20 -0.47 0.70 0.00 0.00 175.22 175.27 3d95 s TYR 51 N -0.51 2.75 -0.13 0.36 5.04 -0.30 -1.33 117.35 123.23 3d95 s TYR 51 Ca 0.07 -1.57 0.02 0.00 -2.44 0.00 0.00 57.07 53.15 3d95 s TYR 51 Cb -0.07 -1.89 0.01 0.00 0.35 0.00 0.00 41.96 40.36 3d95 s TYR 51 CO -0.00 -0.76 -0.19 0.42 -1.34 0.00 0.00 175.55 173.68 3d95 s ILE 52 N 1.17 1.80 -0.22 3.14 1.01 -0.07 -1.00 121.20 127.03 3d95 s ILE 52 Ca 0.02 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 3d95 s ILE 52 Cb -0.14 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.71 3d95 s ILE 52 CO -0.10 0.50 -0.06 -0.75 0.00 0.00 0.00 174.94 174.53 3d95 s LYS 53 N 0.99 3.23 -0.27 2.79 2.20 -0.05 -0.86 119.74 127.77 3d95 s LYS 53 Ca -0.05 -0.72 -0.11 0.00 -0.36 0.00 0.00 55.97 54.74 3d95 s LYS 53 Cb -0.15 -2.97 -0.05 0.00 -1.51 0.00 0.00 37.83 33.15 3d95 s LYS 53 CO -0.04 -0.24 0.17 0.08 -0.36 0.00 0.00 175.35 174.96 3d95 s VAL 54 N 1.43 5.26 -0.03 4.02 1.01 0.21 -0.64 120.40 131.67 3d95 s VAL 54 Ca 0.05 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.25 3d95 s VAL 54 Cb -0.15 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 3d95 s VAL 54 CO -0.04 0.28 -0.25 -0.44 0.00 0.00 0.00 175.10 174.65 3d95 s SER 55 N 1.55 2.96 0.22 3.32 0.01 -0.77 -0.70 113.70 120.30 3d95 s SER 55 Ca 0.07 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.88 3d95 s SER 55 Cb -0.15 -0.44 -0.01 0.00 0.21 0.00 0.00 66.02 65.63 3d95 s SER 55 CO 0.09 0.29 0.05 0.35 0.41 0.00 0.00 173.24 174.43 3d95 n THR 56 N 2.58 0.00 0.29 1.44 -2.24 0.15 -1.43 114.28 115.07 3d95 n THR 56 Ca -0.16 -1.22 0.18 0.00 -2.27 0.00 0.00 64.05 60.57 3d95 n THR 56 Cb 0.51 0.38 0.82 0.00 -2.10 0.00 0.00 70.33 69.95 3d95 n THR 56 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3d95 h THR 57 N 1.29 0.12 0.00 4.28 1.35 -1.53 -3.21 112.91 115.21 3d95 h THR 57 Ca -0.18 -0.42 -0.25 0.00 -0.55 0.00 0.00 66.41 65.01 3d95 h THR 57 Cb 0.63 1.37 -0.05 0.00 -1.73 0.00 0.00 68.15 68.37 3d95 h THR 57 CO 0.29 0.03 -2.18 1.33 -0.25 0.00 0.00 175.52 174.74 3d95 n VAL 58 N -3.19 0.95 -3.81 6.82 0.24 -1.26 -5.07 118.33 113.01 3d95 n VAL 58 Ca -0.01 -0.70 -0.09 0.00 -2.04 0.00 0.00 64.34 61.50 3d95 n VAL 58 Cb 0.24 -0.37 -0.04 0.00 -1.47 0.00 0.00 33.84 32.20 3d95 n VAL 58 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3d95 s ARG 59 N -2.68 1.46 -0.04 7.34 3.00 -1.21 -5.14 118.95 121.68 3d95 s ARG 59 Ca -0.09 -0.97 0.02 0.00 0.00 0.00 0.00 55.73 54.70 3d95 s ARG 59 Cb 0.07 0.52 0.01 0.00 0.00 0.00 0.00 34.95 35.55 3d95 s ARG 59 CO 0.77 -0.62 -0.09 0.99 0.00 0.00 0.00 175.30 176.35 3d95 s THR 60 N -3.91 0.84 0.03 0.02 2.01 -1.26 -0.67 115.64 112.70 3d95 s THR 60 Ca 0.12 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 61.82 3d95 s THR 60 Cb -0.01 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 3d95 s THR 60 CO 0.01 0.27 -0.18 0.42 -0.69 0.00 0.00 174.62 174.45 3d95 s THR 61 N 0.39 1.42 -0.05 -0.82 -4.23 0.12 -4.98 115.64 107.49 3d95 s THR 61 Ca -0.07 -1.04 0.06 0.00 -1.18 0.00 0.00 61.69 59.46 3d95 s THR 61 Cb -0.11 -1.24 -0.01 0.00 1.34 0.00 0.00 72.50 72.48 3d95 s THR 61 CO 0.01 0.17 -0.24 -1.61 -0.54 0.00 0.00 174.62 172.42 3d95 s GLU 62 N -1.01 2.40 0.08 3.99 2.02 -1.26 -0.62 118.70 124.30 3d95 s GLU 62 Ca 0.05 -0.85 0.08 0.00 0.02 0.00 0.00 54.97 54.28 3d95 s GLU 62 Cb -0.08 -2.04 -0.03 0.00 0.10 0.00 0.00 34.13 32.07 3d95 s GLU 62 CO 0.01 0.36 -0.22 0.96 0.02 0.00 0.00 175.26 176.39 3d95 s ILE 63 N -0.13 1.77 -0.06 -1.63 -4.36 -0.04 -5.00 121.20 111.76 3d95 s ILE 63 Ca -0.04 -1.41 0.02 0.00 -0.26 0.00 0.00 60.65 58.96 3d95 s ILE 63 Cb -0.13 -1.57 0.01 0.00 1.25 0.00 0.00 42.46 42.02 3d95 s ILE 63 CO 0.03 0.09 -0.12 0.20 0.24 0.00 0.00 174.94 175.38 3d95 s ASN 64 N -1.58 1.75 0.11 4.36 -0.87 -1.26 -0.89 114.94 116.56 3d95 s ASN 64 Ca 0.08 -0.29 -0.12 0.00 -1.57 0.00 0.00 52.86 50.95 3d95 s ASN 64 Cb -0.10 -0.77 0.02 0.00 -0.02 0.00 0.00 41.25 40.38 3d95 s ASN 64 CO 0.03 0.04 0.30 0.72 -2.57 0.00 0.00 177.10 175.63 3d95 s PHE 65 N 0.60 0.00 -0.08 2.20 -0.12 -0.44 -4.91 117.98 115.22 3d95 s PHE 65 Ca -0.13 -0.38 0.03 0.00 -0.05 0.00 0.00 56.93 56.40 3d95 s PHE 65 Cb -0.15 0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.32 3d95 s PHE 65 CO 0.03 -0.64 -0.16 0.21 -0.05 0.00 0.00 175.22 174.61 3d95 s LYS 66 N -3.84 2.86 0.12 1.99 2.20 -1.26 -0.20 119.74 121.60 3d95 s LYS 66 Ca 0.05 -0.74 -0.35 0.00 -0.36 0.00 0.00 55.97 54.58 3d95 s LYS 66 Cb 0.03 -2.43 -0.14 0.00 -1.51 0.00 0.00 37.83 33.78 3d95 s LYS 66 CO -0.10 0.41 1.55 0.28 -0.36 0.00 0.00 175.35 177.13 3d95 n VAL 67 N 2.93 0.05 -0.39 4.02 0.31 -0.04 -1.52 118.33 123.69 3d95 n VAL 67 Ca -0.18 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3d95 n VAL 67 Cb 0.52 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 3d95 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d95 n GLY 68 N 3.31 0.98 3.24 2.92 0.00 0.39 -5.02 105.19 111.01 3d95 n GLY 68 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3d95 n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3d95 s GLU 69 N -0.47 3.09 0.58 1.61 2.12 -0.58 -4.99 118.70 120.06 3d95 s GLU 69 Ca 0.00 -0.85 -0.20 0.00 0.36 0.00 0.00 54.97 54.27 3d95 s GLU 69 Cb 0.00 -2.35 -0.04 0.00 0.26 0.00 0.00 34.13 32.01 3d95 s GLU 69 CO 0.00 0.18 1.32 -1.21 -0.54 0.00 0.00 175.26 175.00 3d95 s GLU 70 N 0.36 2.95 0.20 4.30 2.02 -1.26 -4.53 118.70 122.74 3d95 s GLU 70 Ca -0.17 2.12 -0.07 0.00 0.02 0.00 0.00 54.97 56.87 3d95 s GLU 70 Cb -0.18 -2.09 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 3d95 s GLU 70 CO 0.08 -1.31 0.28 -0.59 0.02 0.00 0.00 175.26 173.75 3d95 s PHE 71 N -1.37 0.66 -0.12 1.61 -0.71 -0.46 -4.96 117.98 112.63 3d95 s PHE 71 Ca 0.76 -0.98 -0.03 0.00 -1.04 0.00 0.00 56.93 55.64 3d95 s PHE 71 Cb -0.38 -0.17 -0.03 0.00 -1.21 0.00 0.00 43.02 41.23 3d95 s PHE 71 CO 0.43 -0.77 -0.01 -2.00 -1.34 0.00 0.00 175.22 171.54 3d95 s GLU 72 N -4.05 3.37 0.00 1.99 2.12 -1.26 -0.12 118.70 120.75 3d95 s GLU 72 Ca 0.26 -0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.14 3d95 s GLU 72 Cb 0.03 -2.88 0.00 0.00 0.26 0.00 0.00 34.13 31.54 3d95 s GLU 72 CO 0.07 0.47 0.00 -0.85 -0.54 0.00 0.00 175.26 174.40 3d95 n GLU 73 N 2.87 0.00 -4.25 4.30 0.28 -0.52 -4.96 120.64 118.36 3d95 n GLU 73 Ca -0.18 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.61 3d95 n GLU 73 Cb 0.53 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.28 3d95 n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3d95 s GLN 74 N 1.49 1.04 1.15 3.44 -0.21 -1.26 -1.02 119.66 124.28 3d95 s GLN 74 Ca 0.00 -1.15 -0.14 0.00 0.02 0.00 0.00 55.36 54.09 3d95 s GLN 74 Cb 0.00 -1.13 0.27 0.00 1.00 0.00 0.00 33.01 33.15 3d95 s GLN 74 CO 0.00 0.25 1.05 0.95 -2.12 0.00 0.00 175.29 175.42 3d95 s THR 75 N -1.49 1.88 0.47 -0.19 -4.23 0.48 -4.85 115.64 107.70 3d95 s THR 75 Ca 0.06 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.71 3d95 s THR 75 Cb -0.08 -2.27 0.21 0.00 1.34 0.00 0.00 72.50 71.70 3d95 s THR 75 CO 0.04 0.00 2.04 1.62 -0.54 0.00 0.00 174.62 177.78 3d95 h VAL 76 N -2.48 1.09 -0.49 2.29 3.04 -1.99 -0.31 116.25 117.41 3d95 h VAL 76 Ca -0.56 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 64.71 3d95 h VAL 76 Cb 1.33 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 3d95 h VAL 76 CO 0.49 0.12 0.00 -0.90 -1.01 0.00 0.00 177.57 176.28 3d95 n ASP 77 N -4.40 2.96 0.00 3.17 5.75 -1.26 -4.95 116.55 117.82 3d95 n ASP 77 Ca -0.02 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.65 3d95 n ASP 77 Cb 0.19 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 3d95 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d95 n GLY 78 N 1.16 0.74 3.72 6.12 0.00 -0.13 -5.07 105.19 111.73 3d95 n GLY 78 Ca 0.17 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 3d95 n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d95 s ARG 79 N -0.70 4.38 0.30 1.61 0.52 -1.26 -4.77 118.95 119.03 3d95 s ARG 79 Ca 0.00 0.64 -0.30 0.00 -0.52 0.00 0.00 55.73 55.56 3d95 s ARG 79 Cb 0.00 -3.44 -0.13 0.00 0.52 0.00 0.00 34.95 31.90 3d95 s ARG 79 CO 0.00 0.11 1.40 -2.30 0.02 0.00 0.00 175.30 174.53 3d95 n PRO 80 N 3.75 2.23 -4.01 3.54 -0.02 -1.26 -0.39 135.00 138.84 3d95 n PRO 80 Ca -0.04 0.79 -0.09 0.00 -2.02 0.00 0.00 63.50 62.14 3d95 n PRO 80 Cb 0.51 -2.44 -0.08 0.00 -0.02 0.00 0.00 33.50 31.47 3d95 n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d95 s LYS 82 N -3.95 4.01 0.16 0.00 2.20 0.68 -1.44 119.74 121.40 3d95 s LYS 82 Ca 0.14 -0.22 0.09 0.00 -0.36 0.00 0.00 55.97 55.62 3d95 s LYS 82 Cb 0.06 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 3d95 s LYS 82 CO -0.04 0.39 -0.20 -1.12 -0.36 0.00 0.00 175.35 174.02 3d95 s SER 83 N 0.08 2.85 -0.11 1.43 0.01 0.82 -0.16 113.70 118.63 3d95 s SER 83 Ca 0.09 -0.83 -0.04 0.00 1.31 0.00 0.00 55.95 56.48 3d95 s SER 83 Cb -0.11 -0.18 0.06 0.00 0.21 0.00 0.00 66.02 66.00 3d95 s SER 83 CO -0.01 0.03 0.23 -0.22 0.41 0.00 0.00 173.24 173.68 3d95 s LEU 84 N -2.51 -0.16 -0.12 2.44 2.96 -0.51 -1.36 118.68 119.42 3d95 s LEU 84 Ca 0.15 0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 54.51 3d95 s LEU 84 Cb -0.07 0.57 -0.04 0.00 0.50 0.00 0.00 46.19 47.15 3d95 s LEU 84 CO 0.07 -0.23 0.08 -0.69 -1.32 0.00 0.00 176.35 174.25 3d95 s VAL 85 N 2.28 4.97 0.07 1.68 1.01 -1.26 -1.72 120.40 127.43 3d95 s VAL 85 Ca 0.01 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.05 3d95 s VAL 85 Cb -0.12 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 3d95 s VAL 85 CO -0.08 0.58 -0.13 -0.54 0.00 0.00 0.00 175.10 174.94 3d95 s LYS 86 N -0.67 0.76 0.54 2.72 1.02 -0.23 -0.46 119.74 123.42 3d95 s LYS 86 Ca 0.12 -0.92 -0.20 0.00 0.02 0.00 0.00 55.97 54.98 3d95 s LYS 86 Cb -0.12 -0.71 -0.05 0.00 -0.52 0.00 0.00 37.83 36.43 3d95 s LYS 86 CO 0.02 0.15 1.19 -1.58 -0.92 0.00 0.00 175.35 174.22 3d95 s TRP 87 N -1.34 2.56 -0.01 3.18 0.52 -1.26 -0.86 118.94 121.73 3d95 s TRP 87 Ca -0.03 1.51 0.01 0.00 0.02 0.00 0.00 56.10 57.60 3d95 s TRP 87 Cb -0.10 -3.44 0.01 0.00 -1.15 0.00 0.00 33.47 28.79 3d95 s TRP 87 CO 0.02 -1.96 -0.01 -2.00 0.02 0.00 0.00 176.95 173.01 3d95 s GLU 88 N -3.13 0.19 2.23 4.98 2.12 -0.46 -4.82 118.70 119.82 3d95 s GLU 88 Ca 0.72 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 56.04 3d95 s GLU 88 Cb -0.29 -0.26 0.00 0.00 0.26 0.00 0.00 34.13 33.84 3d95 s GLU 88 CO 0.33 -0.02 0.00 0.45 -0.54 0.00 0.00 175.26 175.48 3d95 n SER 89 N 3.42 -1.23 0.01 -1.70 2.88 -1.26 -2.49 113.62 113.24 3d95 n SER 89 Ca -0.18 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.48 3d95 n SER 89 Cb 0.56 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.13 3d95 n SER 89 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3d95 n GLU 90 N 0.00 0.06 -0.46 -1.46 0.28 -1.26 -4.57 120.64 113.23 3d95 n GLU 90 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3d95 n GLU 90 Cb 0.00 -1.52 0.00 0.00 1.43 0.00 0.00 31.44 31.35 3d95 n GLU 90 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3d95 n ASN 91 N -1.60 0.05 -4.04 -1.84 3.02 -1.25 -4.20 115.26 105.40 3d95 n ASN 91 Ca 0.04 -1.96 -0.08 0.00 -0.03 0.00 0.00 54.58 52.55 3d95 n ASN 91 Cb 0.36 -0.19 -0.10 0.00 -0.61 0.00 0.00 39.78 39.23 3d95 n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3d95 s LYS 92 N -0.06 0.49 0.03 3.52 2.20 -1.04 -0.97 119.74 123.92 3d95 s LYS 92 Ca 0.01 -0.97 0.03 0.00 -0.36 0.00 0.00 55.97 54.68 3d95 s LYS 92 Cb 0.01 0.17 -0.02 0.00 -1.51 0.00 0.00 37.83 36.48 3d95 s LYS 92 CO 0.00 -0.09 -0.10 -1.64 -0.36 0.00 0.00 175.35 173.17 3d95 s MET 93 N -2.93 0.65 -0.05 4.03 -1.94 -0.01 -1.35 119.30 117.70 3d95 s MET 93 Ca -0.02 -0.66 0.04 0.00 -1.71 0.00 0.00 55.69 53.33 3d95 s MET 93 Cb 0.01 -0.55 0.00 0.00 2.01 0.00 0.00 34.83 36.30 3d95 s MET 93 CO -0.06 0.13 -0.15 0.14 -0.01 0.00 0.00 175.02 175.06 3d95 s VAL 94 N -0.97 1.28 -0.15 -6.03 -7.23 -0.04 -1.62 120.40 105.63 3d95 s VAL 94 Ca -0.04 -0.62 0.01 0.00 -1.81 0.00 0.00 61.98 59.53 3d95 s VAL 94 Cb -0.08 -1.11 0.01 0.00 0.56 0.00 0.00 36.38 35.76 3d95 s VAL 94 CO 0.01 0.38 -0.19 0.00 -0.31 0.00 0.00 175.10 174.98 3d95 s GLU 96 N 0.94 3.50 0.01 0.00 2.02 -0.70 -1.73 118.70 122.74 3d95 s GLU 96 Ca -0.04 -0.14 0.08 0.00 0.02 0.00 0.00 54.97 54.89 3d95 s GLU 96 Cb -0.15 -3.13 -0.02 0.00 0.10 0.00 0.00 34.13 30.92 3d95 s GLU 96 CO -0.04 0.71 -0.24 -0.65 0.02 0.00 0.00 175.26 175.05 3d95 s GLN 97 N -1.50 2.03 -0.06 1.61 -0.21 -1.13 -1.43 119.66 118.97 3d95 s GLN 97 Ca 0.23 -0.98 0.01 0.00 0.02 0.00 0.00 55.36 54.64 3d95 s GLN 97 Cb -0.13 -2.06 0.02 0.00 1.00 0.00 0.00 33.01 31.84 3d95 s GLN 97 CO 0.12 0.55 -0.08 0.21 -2.12 0.00 0.00 175.29 173.97 3d95 s LYS 98 N -0.92 1.24 0.42 2.91 2.20 0.78 -4.60 119.74 121.77 3d95 s LYS 98 Ca 0.11 -0.23 -0.26 0.00 -0.36 0.00 0.00 55.97 55.23 3d95 s LYS 98 Cb -0.10 -1.16 -0.09 0.00 -1.51 0.00 0.00 37.83 34.97 3d95 s LYS 98 CO 0.01 -0.07 1.42 -0.51 -0.36 0.00 0.00 175.35 175.83 3d95 s LEU 99 N 0.97 4.20 0.34 5.43 1.43 -1.26 -0.23 118.68 129.56 3d95 s LEU 99 Ca -0.10 2.90 0.07 0.00 -1.03 0.00 0.00 54.13 55.97 3d95 s LEU 99 Cb -0.15 -3.84 0.60 0.00 0.03 0.00 0.00 46.19 42.83 3d95 s LEU 99 CO 0.00 -1.01 1.81 -0.07 0.23 0.00 0.00 176.35 177.32 3d95 h LEU 100 N 2.62 0.31 -7.52 1.79 3.38 -1.70 -3.44 115.31 110.75 3d95 h LEU 100 Ca -0.51 -0.09 -0.27 0.00 0.09 0.00 0.00 57.88 57.10 3d95 h LEU 100 Cb 1.25 -0.08 -0.32 0.00 0.09 0.00 0.00 40.66 41.60 3d95 h LEU 100 CO 0.62 0.54 -0.68 -0.54 0.09 0.00 0.00 178.44 178.47 3d95 s LYS 101 N -4.54 0.01 1.31 1.13 1.02 -1.26 -5.08 119.74 112.32 3d95 s LYS 101 Ca -0.06 0.22 0.00 0.00 0.02 0.00 0.00 55.97 56.16 3d95 s LYS 101 Cb 0.15 -0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.26 3d95 s LYS 101 CO 0.76 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.45 3d95 n GLY 102 N 4.04 -1.68 3.18 -3.33 0.00 -1.26 -4.99 105.19 101.14 3d95 n GLY 102 Ca -0.25 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 3d95 n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d95 s GLU 103 N 0.00 0.88 0.00 1.61 2.02 -1.26 -4.76 118.70 117.19 3d95 s GLU 103 Ca 0.00 -1.27 0.00 0.00 0.02 0.00 0.00 54.97 53.72 3d95 s GLU 103 Cb 0.00 0.27 0.00 0.00 0.10 0.00 0.00 34.13 34.50 3d95 s GLU 103 CO 0.00 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.44 3d95 n GLY 104 N -0.06 -1.20 3.74 -1.39 0.00 -1.26 -5.09 105.19 99.93 3d95 n GLY 104 Ca -0.09 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 3d95 n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d95 s PRO 105 N -1.57 2.25 0.08 1.61 0.04 -1.26 -4.93 135.00 131.21 3d95 s PRO 105 Ca 0.00 1.52 -0.31 0.00 0.04 0.00 0.00 61.00 62.25 3d95 s PRO 105 Cb 0.00 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.59 3d95 s PRO 105 CO 0.00 -1.70 1.53 -1.59 0.04 0.00 0.00 177.00 175.28 3d95 s LYS 106 N -4.21 4.24 0.09 4.56 0.00 -1.26 -5.01 119.74 118.15 3d95 s LYS 106 Ca 0.69 2.21 0.09 0.00 0.00 0.00 0.00 55.97 58.95 3d95 s LYS 106 Cb -0.23 -3.45 -0.03 0.00 0.00 0.00 0.00 37.83 34.11 3d95 s LYS 106 CO 0.47 -0.62 -0.24 0.95 0.00 0.00 0.00 175.35 175.91 3d95 s THR 107 N 2.05 1.94 0.23 3.79 -4.23 -1.26 -4.24 115.64 113.93 3d95 s THR 107 Ca 0.69 -1.50 -0.18 0.00 -1.18 0.00 0.00 61.69 59.52 3d95 s THR 107 Cb -0.38 -1.71 0.02 0.00 1.34 0.00 0.00 72.50 71.77 3d95 s THR 107 CO 0.30 0.12 0.59 -0.94 -0.54 0.00 0.00 174.62 174.15 3d95 s SER 108 N -1.67 -0.24 0.09 3.99 1.04 -0.96 -2.83 113.70 113.11 3d95 s SER 108 Ca 0.10 -0.60 -0.06 0.00 0.48 0.00 0.00 55.95 55.87 3d95 s SER 108 Cb -0.10 0.64 -0.02 0.00 0.10 0.00 0.00 66.02 66.64 3d95 s SER 108 CO 0.04 -1.17 0.13 -1.66 0.98 0.00 0.00 173.24 171.55 3d95 s TRP 109 N -3.91 0.33 0.05 5.02 1.48 -0.71 -1.46 118.94 119.73 3d95 s TRP 109 Ca 0.12 -0.78 0.00 0.00 -1.06 0.00 0.00 56.10 54.38 3d95 s TRP 109 Cb -0.03 -0.18 -0.03 0.00 -1.16 0.00 0.00 33.47 32.07 3d95 s TRP 109 CO 0.03 -0.51 -0.04 0.95 -4.06 0.00 0.00 176.95 173.31 3d95 s THR 110 N -3.90 0.29 -0.03 0.66 -4.23 -0.13 -0.31 115.64 107.99 3d95 s THR 110 Ca 0.08 -1.42 0.03 0.00 -1.18 0.00 0.00 61.69 59.20 3d95 s THR 110 Cb 0.06 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.91 3d95 s THR 110 CO -0.09 -0.73 -0.11 -0.76 -0.54 0.00 0.00 174.62 172.40 3d95 s LEU 111 N -2.25 1.83 -0.05 4.79 1.43 -0.64 -1.58 118.68 122.20 3d95 s LEU 111 Ca -0.03 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 3d95 s LEU 111 Cb -0.01 -0.63 0.02 0.00 0.03 0.00 0.00 46.19 45.60 3d95 s LEU 111 CO -0.05 0.09 0.11 -0.70 0.23 0.00 0.00 176.35 176.03 3d95 s GLU 112 N 0.13 0.10 -0.16 1.70 2.12 -0.10 -0.83 118.70 121.66 3d95 s GLU 112 Ca -0.03 0.23 -0.16 0.00 0.36 0.00 0.00 54.97 55.38 3d95 s GLU 112 Cb -0.09 -0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.20 3d95 s GLU 112 CO 0.01 -0.08 0.38 -0.51 -0.54 0.00 0.00 175.26 174.51 3d95 s LEU 113 N 0.56 4.23 0.68 2.70 1.43 -0.14 -0.45 118.68 127.68 3d95 s LEU 113 Ca -0.04 0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 53.62 3d95 s LEU 113 Cb -0.06 -2.52 0.07 0.00 0.03 0.00 0.00 46.19 43.71 3d95 s LEU 113 CO -0.02 0.02 0.96 0.42 0.23 0.00 0.00 176.35 177.95 3d95 s THR 114 N 0.77 2.35 -1.68 5.49 -4.23 -0.28 -4.87 115.64 113.19 3d95 s THR 114 Ca 0.20 -0.40 0.26 0.00 -1.18 0.00 0.00 61.69 60.57 3d95 s THR 114 Cb -0.14 -2.95 0.58 0.00 1.34 0.00 0.00 72.50 71.33 3d95 s THR 114 CO 0.07 0.00 1.90 -0.46 -0.54 0.00 0.00 174.62 175.59 3d95 n ASN 115 N -2.79 0.00 -0.61 3.99 6.94 -1.26 -3.48 115.26 118.05 3d95 n ASN 115 Ca 0.09 -0.41 0.06 0.00 -0.02 0.00 0.00 54.58 54.30 3d95 n ASN 115 Cb 0.60 -0.16 0.18 0.00 -2.36 0.00 0.00 39.78 38.04 3d95 n ASN 115 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3d95 n ASP 116 N -1.16 1.70 0.00 0.53 5.68 -1.26 -4.99 116.55 117.05 3d95 n ASP 116 Ca 0.16 -3.60 0.00 0.00 -0.50 0.00 0.00 54.79 50.85 3d95 n ASP 116 Cb 0.16 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.64 3d95 n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3d95 n GLY 117 N -1.00 0.58 3.83 6.12 0.00 -1.23 -5.05 105.19 108.44 3d95 n GLY 117 Ca 0.17 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 3d95 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d95 s GLU 118 N -1.00 2.96 -0.17 1.61 2.02 -1.26 -4.20 118.70 118.65 3d95 s GLU 118 Ca 0.00 -1.00 0.01 0.00 0.02 0.00 0.00 54.97 53.99 3d95 s GLU 118 Cb 0.00 -2.60 0.01 0.00 0.10 0.00 0.00 34.13 31.64 3d95 s GLU 118 CO 0.00 0.42 -0.17 -1.17 0.02 0.00 0.00 175.26 174.36 3d95 s LEU 119 N -3.72 2.32 -0.21 1.80 2.96 -0.13 -1.13 118.68 120.59 3d95 s LEU 119 Ca 0.33 -0.55 -0.06 0.00 -0.22 0.00 0.00 54.13 53.62 3d95 s LEU 119 Cb -0.08 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 3d95 s LEU 119 CO 0.25 0.04 0.04 -0.63 -1.32 0.00 0.00 176.35 174.73 3d95 s ILE 120 N 1.07 4.30 -0.12 6.68 1.01 0.40 -0.52 121.20 134.01 3d95 s ILE 120 Ca -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.42 3d95 s ILE 120 Cb -0.14 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 3d95 s ILE 120 CO -0.06 0.41 -0.01 -0.70 0.00 0.00 0.00 174.94 174.59 3d95 s GLU 121 N 0.95 3.33 0.15 2.79 2.12 0.28 -0.92 118.70 127.39 3d95 s GLU 121 Ca 0.03 -0.46 0.10 0.00 0.36 0.00 0.00 54.97 55.00 3d95 s GLU 121 Cb -0.14 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.34 3d95 s GLU 121 CO 0.02 0.48 -0.23 0.95 -0.54 0.00 0.00 175.26 175.94 3d95 s THR 122 N -0.28 2.11 -0.03 -1.70 -4.23 -0.61 -0.80 115.64 110.10 3d95 s THR 122 Ca 0.06 -1.83 0.01 0.00 -1.18 0.00 0.00 61.69 58.75 3d95 s THR 122 Cb -0.12 -1.92 0.02 0.00 1.34 0.00 0.00 72.50 71.81 3d95 s THR 122 CO 0.02 -0.07 -0.03 -0.04 -0.54 0.00 0.00 174.62 173.96 3d95 s MET 123 N -2.34 0.56 0.00 3.99 -1.94 -0.19 -0.96 119.30 118.42 3d95 s MET 123 Ca 0.15 -0.04 0.04 0.00 -1.71 0.00 0.00 55.69 54.13 3d95 s MET 123 Cb -0.09 -0.63 -0.01 0.00 2.01 0.00 0.00 34.83 36.11 3d95 s MET 123 CO 0.07 -0.07 -0.13 0.99 -0.01 0.00 0.00 175.02 175.87 3d95 s THR 124 N 0.80 1.02 0.01 2.05 2.01 -0.53 -0.57 115.64 120.43 3d95 s THR 124 Ca -0.09 -0.65 -0.28 0.00 0.31 0.00 0.00 61.69 60.98 3d95 s THR 124 Cb -0.13 -0.87 0.07 0.00 0.01 0.00 0.00 72.50 71.58 3d95 s THR 124 CO -0.01 0.21 0.63 0.00 -0.69 0.00 0.00 174.62 174.76 3d95 s ALA 125 N -0.44 -1.64 -1.36 7.40 0.00 -0.68 -2.28 121.76 122.77 3d95 s ALA 125 Ca 0.04 1.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.95 3d95 s ALA 125 Cb -0.06 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.35 3d95 s ALA 125 CO -0.00 -0.47 0.42 -0.25 0.00 0.00 0.00 175.76 175.46 3d95 n ASP 126 N 0.57 -4.63 -0.40 0.00 8.00 -1.26 -0.98 116.55 117.85 3d95 n ASP 126 Ca -0.19 -0.24 -0.05 0.00 0.71 0.00 0.00 54.79 55.03 3d95 n ASP 126 Cb 0.59 -3.81 -0.02 0.00 -0.02 0.00 0.00 41.12 37.86 3d95 n ASP 126 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3d95 n ASP 127 N -2.27 -4.34 -4.40 -2.24 5.68 -1.26 -4.99 116.55 102.73 3d95 n ASP 127 Ca -0.08 0.13 -0.33 0.00 -0.50 0.00 0.00 54.79 54.01 3d95 n ASP 127 Cb 0.59 -2.30 -0.14 0.00 -1.14 0.00 0.00 41.12 38.13 3d95 n ASP 127 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3d95 s VAL 128 N -1.95 2.96 -0.18 2.12 1.01 -0.15 -5.11 120.40 119.10 3d95 s VAL 128 Ca 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.27 3d95 s VAL 128 Cb 0.00 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.19 3d95 s VAL 128 CO 0.00 0.55 -0.19 -0.69 0.00 0.00 0.00 175.10 174.78 3d95 s VAL 129 N -0.06 2.21 -0.14 2.92 1.01 -1.26 -1.69 120.40 123.38 3d95 s VAL 129 Ca -0.03 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 60.89 3d95 s VAL 129 Cb -0.14 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3d95 s VAL 129 CO 0.04 0.53 0.42 0.00 0.00 0.00 0.00 175.10 176.09 3d95 s THR 131 N 0.68 2.11 -0.03 0.00 2.01 -0.77 -1.02 115.64 118.62 3d95 s THR 131 Ca 0.23 -1.03 0.04 0.00 0.31 0.00 0.00 61.69 61.23 3d95 s THR 131 Cb -0.14 -1.78 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 3d95 s THR 131 CO 0.08 0.57 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.88 3d95 s LYS 132 N -0.03 1.45 -0.08 4.92 1.02 0.02 -0.79 119.74 126.26 3d95 s LYS 132 Ca -0.08 -0.55 0.05 0.00 0.02 0.00 0.00 55.97 55.41 3d95 s LYS 132 Cb -0.15 -1.32 -0.01 0.00 -0.52 0.00 0.00 37.83 35.83 3d95 s LYS 132 CO 0.05 0.27 -0.22 0.08 -0.92 0.00 0.00 175.35 174.60 3d95 s VAL 133 N -0.12 2.27 0.17 3.17 1.01 -0.21 -0.55 120.40 126.14 3d95 s VAL 133 Ca 0.01 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.08 3d95 s VAL 133 Cb -0.09 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3d95 s VAL 133 CO 0.01 0.56 -0.14 -0.36 0.00 0.00 0.00 175.10 175.17 3d95 s PHE 134 N -0.02 1.54 0.16 5.22 0.40 0.32 -0.40 117.98 125.21 3d95 s PHE 134 Ca -0.07 -0.61 0.07 0.00 -0.60 0.00 0.00 56.93 55.72 3d95 s PHE 134 Cb -0.15 -0.75 -0.04 0.00 0.51 0.00 0.00 43.02 42.59 3d95 s PHE 134 CO 0.05 0.24 -0.15 0.14 0.70 0.00 0.00 175.22 176.20 3d95 s VAL 135 N -2.81 1.58 0.16 -0.44 -7.23 -0.53 -0.95 120.40 110.18 3d95 s VAL 135 Ca 0.18 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.06 3d95 s VAL 135 Cb -0.01 -1.83 -0.08 0.00 0.56 0.00 0.00 36.38 35.03 3d95 s VAL 135 CO 0.04 -0.49 1.22 -0.13 -0.31 0.00 0.00 175.10 175.44 3d95 s ARG 136 N -3.16 4.46 0.00 4.82 0.52 -1.26 -0.65 118.95 123.67 3d95 s ARG 136 Ca 0.16 1.89 0.29 0.00 -0.52 0.00 0.00 55.73 57.55 3d95 s ARG 136 Cb -0.03 -3.26 1.35 0.00 0.52 0.00 0.00 34.95 33.53 3d95 s ARG 136 CO 0.05 -0.16 1.91 -1.91 0.02 0.00 0.00 175.30 175.21