#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d97 s ASN 2 N 0.00 4.91 0.00 3.54 2.47 -1.26 -4.96 114.94 119.64 3d97 s ASN 2 Ca 0.00 -0.15 0.28 0.00 0.42 0.00 0.00 52.86 53.42 3d97 s ASN 2 Cb 0.00 -1.83 1.08 0.00 -1.45 0.00 0.00 41.25 39.06 3d97 s ASN 2 CO 0.00 0.11 1.78 0.49 -3.72 0.00 0.00 177.10 175.76 3d97 n PHE 3 N 3.93 0.00 -2.09 0.43 3.01 -1.26 -4.91 117.46 116.57 3d97 n PHE 3 Ca -0.17 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.89 3d97 n PHE 3 Cb 0.52 -0.20 -0.02 0.00 -0.01 0.00 0.00 39.48 39.78 3d97 n PHE 3 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3d97 s SER 4 N -2.55 6.63 0.00 4.37 0.01 -1.26 -4.68 113.70 116.21 3d97 s SER 4 Ca 0.26 2.69 0.00 0.00 1.31 0.00 0.00 55.95 60.20 3d97 s SER 4 Cb 0.20 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.78 3d97 s SER 4 CO 0.50 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 174.13 3d97 n GLY 5 N 0.74 -1.33 3.24 3.44 0.00 -0.78 -4.96 105.19 105.54 3d97 n GLY 5 Ca 0.01 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 3d97 n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d97 s ASN 6 N -2.24 4.59 -0.13 1.61 0.01 -1.26 -1.06 114.94 116.45 3d97 s ASN 6 Ca 0.00 -0.86 -0.02 0.00 -0.71 0.00 0.00 52.86 51.27 3d97 s ASN 6 Cb 0.00 -1.73 -0.03 0.00 0.41 0.00 0.00 41.25 39.90 3d97 s ASN 6 CO 0.00 -0.16 -0.05 0.26 -1.51 0.00 0.00 177.10 175.64 3d97 s TRP 7 N 1.37 3.00 0.06 2.20 0.52 0.74 -0.92 118.94 125.90 3d97 s TRP 7 Ca 0.00 -0.25 0.08 0.00 0.02 0.00 0.00 56.10 55.95 3d97 s TRP 7 Cb -0.17 -1.90 -0.03 0.00 -1.15 0.00 0.00 33.47 30.22 3d97 s TRP 7 CO -0.02 0.03 -0.20 -1.59 0.02 0.00 0.00 176.95 175.20 3d97 s LYS 8 N 0.10 1.96 0.28 4.98 -2.85 0.27 -1.52 119.74 122.96 3d97 s LYS 8 Ca -0.01 -1.05 -0.29 0.00 -1.00 0.00 0.00 55.97 53.62 3d97 s LYS 8 Cb -0.14 -2.13 -0.09 0.00 -2.06 0.00 0.00 37.83 33.40 3d97 s LYS 8 CO 0.03 0.52 1.10 -1.50 0.10 0.00 0.00 175.35 175.61 3d97 s ILE 9 N -0.95 3.48 -0.00 3.79 2.07 -1.25 -1.52 121.20 126.83 3d97 s ILE 9 Ca 0.15 1.49 0.01 0.00 -1.41 0.00 0.00 60.65 60.88 3d97 s ILE 9 Cb -0.10 -3.95 -0.01 0.00 0.13 0.00 0.00 42.46 38.53 3d97 s ILE 9 CO 0.05 0.35 0.02 2.30 -1.91 0.00 0.00 174.94 175.75 3d97 n ILE 10 N 1.24 0.00 -3.46 2.00 -5.35 0.12 -4.88 119.36 109.03 3d97 n ILE 10 Ca -0.01 -0.06 -0.13 0.00 -0.27 0.00 0.00 62.75 62.27 3d97 n ILE 10 Cb 0.45 0.54 -0.03 0.00 -1.74 0.00 0.00 39.64 38.85 3d97 n ILE 10 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3d97 s ARG 11 N -1.94 1.21 -0.19 6.28 1.70 -1.03 -4.99 118.95 119.98 3d97 s ARG 11 Ca -0.00 -0.30 -0.14 0.00 -0.47 0.00 0.00 55.73 54.82 3d97 s ARG 11 Cb 0.00 0.56 0.06 0.00 -0.57 0.00 0.00 34.95 35.00 3d97 s ARG 11 CO 0.03 -0.49 0.49 0.45 -1.08 0.00 0.00 175.30 174.69 3d97 s SER 12 N -2.35 -0.57 0.01 -2.89 0.15 -1.26 -1.17 113.70 105.62 3d97 s SER 12 Ca -0.02 1.03 -0.02 0.00 0.70 0.00 0.00 55.95 57.63 3d97 s SER 12 Cb -0.01 0.97 -0.01 0.00 -1.71 0.00 0.00 66.02 65.26 3d97 s SER 12 CO -0.07 -0.19 0.03 -1.83 1.20 0.00 0.00 173.24 172.38 3d97 s GLU 13 N 0.88 0.34 -1.50 5.44 -1.05 0.02 -4.94 118.70 117.89 3d97 s GLU 13 Ca -0.05 -0.48 0.00 0.00 -0.15 0.00 0.00 54.97 54.29 3d97 s GLU 13 Cb -0.06 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.76 3d97 s GLU 13 CO -0.07 -0.07 0.00 0.09 0.95 0.00 0.00 175.26 176.16 3d97 n ASN 14 N 1.69 -4.70 0.12 0.83 3.02 -1.26 -1.51 115.26 113.45 3d97 n ASN 14 Ca -0.23 0.34 -0.13 0.00 -0.03 0.00 0.00 54.58 54.53 3d97 n ASN 14 Cb 0.56 -3.47 -0.08 0.00 -0.61 0.00 0.00 39.78 36.17 3d97 n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3d97 h PHE 15 N 0.00 -0.30 -0.33 3.10 3.57 -1.92 0.09 116.94 121.15 3d97 h PHE 15 Ca -0.29 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.11 3d97 h PHE 15 Cb 0.94 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 3d97 h PHE 15 CO 0.40 0.05 -0.16 1.49 -2.23 0.00 0.00 178.31 177.86 3d97 h GLU 16 N -0.69 0.60 -0.82 1.11 4.81 -1.96 -2.50 114.58 115.13 3d97 h GLU 16 Ca -0.03 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 3d97 h GLU 16 Cb 0.48 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 3d97 h GLU 16 CO 0.05 0.73 0.43 0.93 -0.73 0.00 0.00 179.01 180.43 3d97 h GLU 17 N 0.54 1.16 0.13 1.92 4.39 -1.93 0.38 114.58 121.17 3d97 h GLU 17 Ca 0.09 -0.14 0.01 0.00 0.34 0.00 0.00 59.36 59.65 3d97 h GLU 17 Cb 0.58 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3d97 h GLU 17 CO 0.04 0.86 -0.15 1.25 -1.16 0.00 0.00 179.01 179.85 3d97 h LEU 18 N 1.16 -0.40 -0.85 1.33 5.85 -0.62 -1.46 115.31 120.31 3d97 h LEU 18 Ca 0.29 0.04 0.12 0.00 0.84 0.00 0.00 57.88 59.17 3d97 h LEU 18 Cb 0.06 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 3d97 h LEU 18 CO -0.04 -0.23 0.48 -0.07 -0.34 0.00 0.00 178.44 178.24 3d97 h LEU 19 N -0.32 0.65 -0.69 2.25 3.38 -1.07 -2.61 115.31 116.90 3d97 h LEU 19 Ca 0.01 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3d97 h LEU 19 Cb 0.31 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3d97 h LEU 19 CO -0.05 0.33 0.45 0.50 0.09 0.00 0.00 178.44 179.76 3d97 h LYS 20 N 0.75 0.88 0.00 1.13 3.64 -0.55 -1.30 116.57 121.12 3d97 h LYS 20 Ca 0.43 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3d97 h LYS 20 Cb 0.49 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3d97 h LYS 20 CO -0.29 0.58 0.00 -0.39 -2.27 0.00 0.00 179.45 177.08 3d97 h VAL 21 N 0.91 0.00 -0.00 2.00 -1.51 -1.08 -0.87 116.25 115.69 3d97 h VAL 21 Ca 0.26 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 3d97 h VAL 21 Cb -0.06 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 3d97 h VAL 21 CO -0.07 0.00 -0.00 0.18 -1.23 0.00 0.00 177.57 176.45 3d97 n LEU 22 N -2.46 0.00 0.00 4.19 4.77 -0.99 -4.93 117.00 117.58 3d97 n LEU 22 Ca 0.04 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 3d97 n LEU 22 Cb 0.40 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3d97 n LEU 22 CO 0.29 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3d97 n GLY 23 N 1.40 0.78 3.70 -0.72 0.00 -0.33 -5.05 105.19 104.97 3d97 n GLY 23 Ca 0.10 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3d97 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d97 s VAL 24 N -2.00 3.37 0.93 1.61 1.01 -0.52 -4.99 120.40 119.81 3d97 s VAL 24 Ca 0.00 0.87 -0.11 0.00 0.00 0.00 0.00 61.98 62.74 3d97 s VAL 24 Cb 0.00 -3.56 0.15 0.00 0.00 0.00 0.00 36.38 32.97 3d97 s VAL 24 CO 0.00 0.02 1.09 0.54 0.00 0.00 0.00 175.10 176.76 3d97 s ASN 25 N 1.71 3.06 0.29 3.32 6.03 -1.26 -4.51 114.94 123.57 3d97 s ASN 25 Ca 0.67 1.64 0.04 0.00 -1.03 0.00 0.00 52.86 54.18 3d97 s ASN 25 Cb -0.36 -2.29 0.43 0.00 -3.03 0.00 0.00 41.25 36.00 3d97 s ASN 25 CO 0.29 -2.92 1.71 1.62 -2.03 0.00 0.00 177.10 175.77 3d97 h VAL 26 N -1.74 1.29 0.01 3.54 3.04 -1.99 -0.55 116.25 119.84 3d97 h VAL 26 Ca -0.50 -1.40 -0.00 0.00 -1.01 0.00 0.00 66.70 63.79 3d97 h VAL 26 Cb 1.28 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 32.09 3d97 h VAL 26 CO 0.51 0.43 -0.00 -0.03 -1.01 0.00 0.00 177.57 177.47 3d97 h MET 27 N 0.31 -0.01 -0.16 4.17 -1.53 -2.00 -0.38 114.93 115.34 3d97 h MET 27 Ca 0.04 0.00 -0.07 0.00 -3.44 0.00 0.00 59.70 56.23 3d97 h MET 27 Cb 0.75 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.79 3d97 h MET 27 CO 0.06 0.04 -0.20 -0.07 0.14 0.00 0.00 176.91 176.87 3d97 h LEU 28 N -0.05 0.26 -0.50 3.39 3.38 -1.84 -1.09 115.31 118.86 3d97 h LEU 28 Ca -0.00 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3d97 h LEU 28 Cb 0.05 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3d97 h LEU 28 CO 0.00 0.48 0.15 0.03 0.09 0.00 0.00 178.44 179.19 3d97 h ARG 29 N 0.25 0.78 -0.08 1.13 3.08 -0.62 0.44 114.38 119.35 3d97 h ARG 29 Ca 0.04 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.81 3d97 h ARG 29 Cb 0.50 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3d97 h ARG 29 CO 0.03 0.73 -0.47 0.87 -1.07 0.00 0.00 179.97 180.07 3d97 h LYS 30 N 0.68 0.19 -0.70 0.04 1.79 -0.81 0.60 116.57 118.37 3d97 h LYS 30 Ca 0.16 -0.10 -0.04 0.00 -2.18 0.00 0.00 60.65 58.49 3d97 h LYS 30 Cb 0.28 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.90 3d97 h LYS 30 CO -0.00 0.62 0.29 0.82 -1.08 0.00 0.00 179.45 180.10 3d97 h ILE 31 N 0.16 1.24 -0.81 1.86 1.08 -1.03 -2.31 117.51 117.71 3d97 h ILE 31 Ca 0.01 -0.74 -0.04 0.00 -0.39 0.00 0.00 64.86 63.69 3d97 h ILE 31 Cb 0.89 0.43 -0.04 0.00 -3.07 0.00 0.00 36.82 35.03 3d97 h ILE 31 CO 0.07 0.30 0.34 0.00 -0.69 0.00 0.00 178.15 178.17 3d97 h ALA 32 N 1.14 1.08 -0.57 1.87 0.00 -0.15 -0.85 119.26 121.77 3d97 h ALA 32 Ca 0.23 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3d97 h ALA 32 Cb 0.19 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3d97 h ALA 32 CO -0.02 0.66 0.16 0.28 0.00 0.00 0.00 179.25 180.33 3d97 h VAL 33 N 1.17 1.24 -0.41 0.00 2.07 -0.80 -0.94 116.25 118.58 3d97 h VAL 33 Ca 0.27 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3d97 h VAL 33 Cb 0.19 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3d97 h VAL 33 CO -0.03 0.32 0.21 0.00 0.02 0.00 0.00 177.57 178.09 3d97 h ALA 34 N 1.03 0.53 0.00 1.67 0.00 -0.97 -2.37 119.26 119.15 3d97 h ALA 34 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3d97 h ALA 34 Cb 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3d97 h ALA 34 CO -0.00 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.33 3d97 n ALA 35 N -2.27 2.16 -0.54 0.00 0.00 -0.36 -2.59 120.51 116.90 3d97 n ALA 35 Ca 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.42 3d97 n ALA 35 Cb 0.10 -1.36 0.27 0.00 0.00 0.00 0.00 19.45 18.46 3d97 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d97 n ALA 36 N -1.26 2.72 -1.88 0.00 0.00 -0.39 -4.50 120.51 115.21 3d97 n ALA 36 Ca 0.11 -1.58 -0.41 0.00 0.00 0.00 0.00 53.44 51.56 3d97 n ALA 36 Cb 0.16 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 3d97 n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3d97 s SER 37 N -1.16 6.77 -1.11 0.00 0.01 -1.07 -3.81 113.70 113.33 3d97 s SER 37 Ca 0.40 2.59 -0.19 0.00 1.31 0.00 0.00 55.95 60.06 3d97 s SER 37 Cb 0.26 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.85 3d97 s SER 37 CO 0.19 -0.58 0.81 0.29 0.41 0.00 0.00 173.24 174.35 3d97 n LYS 38 N 1.89 -1.31 -2.60 12.44 5.02 -1.26 -1.48 118.16 130.85 3d97 n LYS 38 Ca 0.04 0.52 -0.37 0.00 -2.02 0.00 0.00 58.31 56.49 3d97 n LYS 38 Cb 0.42 -4.29 -0.05 0.00 -0.02 0.00 0.00 35.03 31.09 3d97 n LYS 38 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3d97 s PRO 39 N -5.75 4.30 0.05 1.97 0.04 -1.25 -4.44 135.00 129.93 3d97 s PRO 39 Ca 0.46 1.48 0.05 0.00 0.04 0.00 0.00 61.00 63.03 3d97 s PRO 39 Cb -0.15 -2.64 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 3d97 s PRO 39 CO 0.85 -0.01 -0.14 0.00 0.04 0.00 0.00 177.00 177.74 3d97 s ALA 40 N -1.63 1.12 -0.16 8.56 0.00 0.35 -3.80 121.76 126.20 3d97 s ALA 40 Ca 0.55 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.65 3d97 s ALA 40 Cb -0.21 -0.14 0.04 0.00 0.00 0.00 0.00 23.12 22.80 3d97 s ALA 40 CO 0.27 0.19 -0.09 0.08 0.00 0.00 0.00 175.76 176.21 3d97 s VAL 41 N -0.99 1.32 -0.24 0.00 1.01 -0.57 -0.27 120.40 120.66 3d97 s VAL 41 Ca -0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 3d97 s VAL 41 Cb -0.08 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 3d97 s VAL 41 CO 0.01 0.23 0.18 -0.70 0.00 0.00 0.00 175.10 174.83 3d97 s GLU 42 N 1.55 4.08 -0.08 2.72 2.12 0.93 -0.18 118.70 129.83 3d97 s GLU 42 Ca 0.02 -0.23 0.04 0.00 0.36 0.00 0.00 54.97 55.15 3d97 s GLU 42 Cb -0.15 -3.54 -0.01 0.00 0.26 0.00 0.00 34.13 30.69 3d97 s GLU 42 CO -0.08 0.05 -0.20 0.42 -0.54 0.00 0.00 175.26 174.90 3d97 s ILE 43 N 1.10 2.43 -0.23 -3.70 1.01 -0.23 -0.58 121.20 121.00 3d97 s ILE 43 Ca 0.08 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 3d97 s ILE 43 Cb -0.14 -1.94 0.03 0.00 0.01 0.00 0.00 42.46 40.42 3d97 s ILE 43 CO 0.05 0.56 -0.10 -0.54 0.00 0.00 0.00 174.94 174.91 3d97 s LYS 44 N -0.02 2.85 -0.16 2.79 3.01 -0.00 -1.87 119.74 126.33 3d97 s LYS 44 Ca -0.06 -0.96 -0.04 0.00 -1.01 0.00 0.00 55.97 53.90 3d97 s LYS 44 Cb -0.15 -2.88 -0.03 0.00 -1.01 0.00 0.00 37.83 33.76 3d97 s LYS 44 CO 0.05 -0.36 -0.03 -1.14 0.51 0.00 0.00 175.35 174.38 3d97 s GLN 45 N 1.30 3.67 -0.48 1.68 0.74 -1.26 -1.29 119.66 124.02 3d97 s GLN 45 Ca 0.01 -0.52 0.03 0.00 0.05 0.00 0.00 55.36 54.93 3d97 s GLN 45 Cb -0.16 -2.93 0.13 0.00 1.10 0.00 0.00 33.01 31.15 3d97 s GLN 45 CO -0.06 0.22 0.26 -1.21 -0.55 0.00 0.00 175.29 173.95 3d97 s GLU 46 N 0.41 1.60 7.78 1.67 2.02 0.19 -4.85 118.70 127.52 3d97 s GLU 46 Ca -0.04 -2.31 0.00 0.00 0.02 0.00 0.00 54.97 52.65 3d97 s GLU 46 Cb -0.14 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.33 3d97 s GLU 46 CO 0.03 -1.15 0.00 0.41 0.02 0.00 0.00 175.26 174.57 3d97 n GLY 47 N 3.30 3.19 0.61 -1.39 0.00 -1.26 -1.53 105.19 108.11 3d97 n GLY 47 Ca 0.08 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.04 3d97 n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d97 n ASP 48 N 8.12 1.83 -4.55 1.61 8.00 -1.26 -4.84 116.55 125.47 3d97 n ASP 48 Ca 0.00 -1.75 -0.34 0.00 0.71 0.00 0.00 54.79 53.41 3d97 n ASP 48 Cb 0.00 -0.12 -0.11 0.00 -0.02 0.00 0.00 41.12 40.86 3d97 n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3d97 s THR 49 N -1.75 4.25 -0.00 -3.53 2.01 -0.58 -1.08 115.64 114.96 3d97 s THR 49 Ca 0.32 -0.23 0.08 0.00 0.31 0.00 0.00 61.69 62.17 3d97 s THR 49 Cb 0.18 -2.89 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 3d97 s THR 49 CO 0.26 0.47 -0.24 -0.36 -0.69 0.00 0.00 174.62 174.07 3d97 s PHE 50 N 0.43 2.12 -0.15 4.92 0.40 0.20 -0.64 117.98 125.27 3d97 s PHE 50 Ca -0.01 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 55.92 3d97 s PHE 50 Cb -0.14 -1.34 -0.00 0.00 0.51 0.00 0.00 43.02 42.05 3d97 s PHE 50 CO 0.02 0.00 -0.14 -0.47 0.70 0.00 0.00 175.22 175.33 3d97 s TYR 51 N -0.62 2.80 -0.11 0.36 5.04 -0.41 -1.22 117.35 123.18 3d97 s TYR 51 Ca 0.09 -0.94 -0.00 0.00 -2.44 0.00 0.00 57.07 53.78 3d97 s TYR 51 Cb -0.09 -1.89 0.02 0.00 0.35 0.00 0.00 41.96 40.35 3d97 s TYR 51 CO -0.00 -0.42 -0.09 0.42 -1.34 0.00 0.00 175.55 174.12 3d97 s ILE 52 N 0.75 1.11 -0.13 3.14 1.01 -0.20 -0.82 121.20 126.06 3d97 s ILE 52 Ca -0.06 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.26 3d97 s ILE 52 Cb -0.15 -1.10 -0.00 0.00 0.01 0.00 0.00 42.46 41.21 3d97 s ILE 52 CO 0.01 0.38 -0.20 -0.75 0.00 0.00 0.00 174.94 174.38 3d97 s LYS 53 N 1.59 3.14 -0.19 2.79 2.20 0.25 -0.94 119.74 128.58 3d97 s LYS 53 Ca 0.03 -0.81 -0.03 0.00 -0.36 0.00 0.00 55.97 54.81 3d97 s LYS 53 Cb -0.13 -2.46 -0.01 0.00 -1.51 0.00 0.00 37.83 33.72 3d97 s LYS 53 CO -0.08 0.10 -0.08 0.99 -0.36 0.00 0.00 175.35 175.93 3d97 s THR 54 N 0.57 3.22 -0.02 3.43 2.01 -0.10 -0.05 115.64 124.70 3d97 s THR 54 Ca -0.12 -0.56 0.08 0.00 0.31 0.00 0.00 61.69 61.40 3d97 s THR 54 Cb -0.16 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 3d97 s THR 54 CO 0.04 0.46 -0.26 -0.44 -0.69 0.00 0.00 174.62 173.73 3d97 s SER 55 N 1.13 3.01 0.34 3.53 0.01 0.63 -0.94 113.70 121.41 3d97 s SER 55 Ca 0.01 -0.47 0.02 0.00 1.31 0.00 0.00 55.95 56.82 3d97 s SER 55 Cb -0.14 -0.33 -0.01 0.00 0.21 0.00 0.00 66.02 65.75 3d97 s SER 55 CO -0.02 0.31 0.06 0.35 0.41 0.00 0.00 173.24 174.35 3d97 n THR 56 N 2.42 0.00 0.30 1.44 -2.24 -0.02 -0.50 114.28 115.67 3d97 n THR 56 Ca -0.16 -1.81 0.18 0.00 -2.27 0.00 0.00 64.05 59.99 3d97 n THR 56 Cb 0.51 0.52 0.94 0.00 -2.10 0.00 0.00 70.33 70.20 3d97 n THR 56 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3d97 h THR 57 N 1.37 0.25 0.00 4.28 1.35 -1.47 -3.25 112.91 115.43 3d97 h THR 57 Ca -0.28 -0.25 -0.10 0.00 -0.55 0.00 0.00 66.41 65.24 3d97 h THR 57 Cb 0.94 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 68.54 3d97 h THR 57 CO 0.45 0.04 -1.73 0.52 -0.25 0.00 0.00 175.52 174.55 3d97 n VAL 58 N -3.36 0.36 -3.73 6.82 0.31 -1.26 -5.07 118.33 112.39 3d97 n VAL 58 Ca -0.02 -0.41 -0.11 0.00 -0.01 0.00 0.00 64.34 63.79 3d97 n VAL 58 Cb 0.16 -0.16 -0.07 0.00 -0.91 0.00 0.00 33.84 32.87 3d97 n VAL 58 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3d97 s ARG 59 N -2.69 0.89 -0.02 5.55 3.00 -1.23 -5.15 118.95 119.30 3d97 s ARG 59 Ca -0.06 -0.61 0.05 0.00 0.00 0.00 0.00 55.73 55.12 3d97 s ARG 59 Cb 0.07 0.38 -0.01 0.00 0.00 0.00 0.00 34.95 35.39 3d97 s ARG 59 CO 0.55 -0.30 -0.16 0.99 0.00 0.00 0.00 175.30 176.38 3d97 s THR 60 N -3.04 1.27 0.08 0.02 2.01 -1.26 -0.85 115.64 113.88 3d97 s THR 60 Ca -0.02 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.33 3d97 s THR 60 Cb 0.01 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 3d97 s THR 60 CO -0.06 0.36 -0.07 0.42 -0.69 0.00 0.00 174.62 174.58 3d97 s THR 61 N -0.30 0.69 -0.04 -0.82 -4.23 -0.12 -4.98 115.64 105.84 3d97 s THR 61 Ca 0.05 -1.70 -0.05 0.00 -1.18 0.00 0.00 61.69 58.81 3d97 s THR 61 Cb -0.07 -1.39 0.01 0.00 1.34 0.00 0.00 72.50 72.39 3d97 s THR 61 CO -0.00 -0.72 0.12 -1.61 -0.54 0.00 0.00 174.62 171.87 3d97 s GLU 62 N -3.18 0.21 0.17 3.99 2.02 -1.26 -0.92 118.70 119.73 3d97 s GLU 62 Ca 0.06 0.04 0.07 0.00 0.02 0.00 0.00 54.97 55.16 3d97 s GLU 62 Cb 0.01 0.09 -0.04 0.00 0.10 0.00 0.00 34.13 34.29 3d97 s GLU 62 CO -0.03 -0.03 -0.14 0.96 0.02 0.00 0.00 175.26 176.04 3d97 s ILE 63 N -0.24 1.54 -0.01 -1.63 -4.36 -0.12 -5.00 121.20 111.38 3d97 s ILE 63 Ca -0.03 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.32 3d97 s ILE 63 Cb -0.02 -1.87 0.02 0.00 1.25 0.00 0.00 42.46 41.84 3d97 s ILE 63 CO 0.00 -0.55 0.01 0.20 0.24 0.00 0.00 174.94 174.84 3d97 s ASN 64 N -3.02 0.13 0.23 4.36 0.01 -1.26 -1.04 114.94 114.36 3d97 s ASN 64 Ca 0.17 0.01 -0.17 0.00 -0.71 0.00 0.00 52.86 52.16 3d97 s ASN 64 Cb -0.02 -0.07 0.02 0.00 0.41 0.00 0.00 41.25 41.59 3d97 s ASN 64 CO 0.05 -0.08 0.57 0.72 -1.51 0.00 0.00 177.10 176.84 3d97 s PHE 65 N 0.69 -0.02 -0.04 2.20 -0.12 -0.36 -4.96 117.98 115.38 3d97 s PHE 65 Ca -0.06 -0.36 0.06 0.00 -0.05 0.00 0.00 56.93 56.52 3d97 s PHE 65 Cb -0.09 0.43 -0.01 0.00 -0.63 0.00 0.00 43.02 42.72 3d97 s PHE 65 CO -0.02 -1.02 -0.22 0.21 -0.05 0.00 0.00 175.22 174.12 3d97 s LYS 66 N -3.92 2.04 0.26 1.99 2.20 -1.26 -0.62 119.74 120.42 3d97 s LYS 66 Ca 0.13 -0.78 -0.31 0.00 -0.36 0.00 0.00 55.97 54.65 3d97 s LYS 66 Cb -0.02 -1.82 -0.12 0.00 -1.51 0.00 0.00 37.83 34.36 3d97 s LYS 66 CO 0.03 0.38 1.65 0.28 -0.36 0.00 0.00 175.35 177.32 3d97 n VAL 67 N 2.85 0.60 -0.54 4.02 0.31 -0.24 -1.44 118.33 123.89 3d97 n VAL 67 Ca -0.17 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3d97 n VAL 67 Cb 0.52 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 3d97 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d97 n GLY 68 N 2.90 1.00 3.25 2.92 0.00 0.36 -5.02 105.19 110.60 3d97 n GLY 68 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3d97 n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d97 s GLU 69 N -0.36 3.07 0.54 1.61 2.02 -0.52 -4.99 118.70 120.06 3d97 s GLU 69 Ca 0.00 -0.85 -0.21 0.00 0.02 0.00 0.00 54.97 53.93 3d97 s GLU 69 Cb 0.00 -2.34 -0.05 0.00 0.10 0.00 0.00 34.13 31.83 3d97 s GLU 69 CO 0.00 0.20 1.28 -1.21 0.02 0.00 0.00 175.26 175.55 3d97 s GLU 70 N 0.30 3.25 0.25 1.61 2.02 -1.26 -4.50 118.70 120.37 3d97 s GLU 70 Ca -0.16 2.04 -0.03 0.00 0.02 0.00 0.00 54.97 56.84 3d97 s GLU 70 Cb -0.17 -2.22 -0.02 0.00 0.10 0.00 0.00 34.13 31.81 3d97 s GLU 70 CO 0.08 -1.05 0.28 -0.59 0.02 0.00 0.00 175.26 174.00 3d97 s PHE 71 N -1.41 1.05 -0.14 1.61 -0.71 -0.27 -4.95 117.98 113.15 3d97 s PHE 71 Ca 0.71 -1.26 -0.04 0.00 -1.04 0.00 0.00 56.93 55.30 3d97 s PHE 71 Cb -0.36 -0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 41.08 3d97 s PHE 71 CO 0.42 -0.82 -0.01 -2.00 -1.34 0.00 0.00 175.22 171.46 3d97 s GLU 72 N -3.87 3.56 0.00 1.99 2.12 -1.26 0.12 118.70 121.36 3d97 s GLU 72 Ca 0.34 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.21 3d97 s GLU 72 Cb 0.04 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.49 3d97 s GLU 72 CO 0.15 0.36 0.00 -0.85 -0.54 0.00 0.00 175.26 174.38 3d97 n GLU 73 N 3.20 0.00 -4.36 4.30 0.28 -0.26 -4.96 120.64 118.83 3d97 n GLU 73 Ca -0.17 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.57 3d97 n GLU 73 Cb 0.53 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.27 3d97 n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3d97 s GLN 74 N 1.74 1.34 0.96 3.44 -0.21 -1.26 -1.06 119.66 124.61 3d97 s GLN 74 Ca 0.00 -1.36 -0.12 0.00 0.02 0.00 0.00 55.36 53.90 3d97 s GLN 74 Cb 0.00 -1.66 0.17 0.00 1.00 0.00 0.00 33.01 32.52 3d97 s GLN 74 CO 0.00 0.37 1.09 0.95 -2.12 0.00 0.00 175.29 175.58 3d97 s THR 75 N -1.43 2.41 0.52 -0.19 -4.23 0.94 -4.86 115.64 108.80 3d97 s THR 75 Ca 0.14 0.13 0.25 0.00 -1.18 0.00 0.00 61.69 61.04 3d97 s THR 75 Cb -0.09 -2.46 0.31 0.00 1.34 0.00 0.00 72.50 71.59 3d97 s THR 75 CO 0.07 -0.17 2.16 1.62 -0.54 0.00 0.00 174.62 177.75 3d97 h VAL 76 N -1.84 0.68 -0.39 2.29 3.04 -1.99 -1.08 116.25 116.96 3d97 h VAL 76 Ca -0.51 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 64.95 3d97 h VAL 76 Cb 1.29 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 3d97 h VAL 76 CO 0.52 0.06 0.00 -0.90 -1.01 0.00 0.00 177.57 176.24 3d97 n ASP 77 N -3.94 2.42 0.00 3.17 5.75 -1.26 -4.95 116.55 117.74 3d97 n ASP 77 Ca -0.03 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 3d97 n ASP 77 Cb 0.15 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 3d97 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d97 n GLY 78 N 1.25 0.86 3.75 6.12 0.00 -0.41 -5.09 105.19 111.68 3d97 n GLY 78 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3d97 n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d97 s ARG 79 N -0.89 4.44 0.31 1.61 0.52 -1.26 -4.71 118.95 118.98 3d97 s ARG 79 Ca 0.00 0.95 -0.30 0.00 -0.52 0.00 0.00 55.73 55.87 3d97 s ARG 79 Cb 0.00 -3.36 -0.11 0.00 0.52 0.00 0.00 34.95 32.00 3d97 s ARG 79 CO 0.00 0.31 1.58 -2.30 0.02 0.00 0.00 175.30 174.90 3d97 n PRO 80 N 2.79 2.71 -3.98 3.54 -0.02 -1.26 -0.04 135.00 138.73 3d97 n PRO 80 Ca -0.04 0.96 -0.08 0.00 -2.02 0.00 0.00 63.50 62.32 3d97 n PRO 80 Cb 0.50 -2.73 -0.09 0.00 -0.02 0.00 0.00 33.50 31.16 3d97 n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d97 s LYS 82 N -3.45 3.94 0.16 0.00 1.02 0.10 -1.10 119.74 120.42 3d97 s LYS 82 Ca 0.02 0.12 0.09 0.00 0.02 0.00 0.00 55.97 56.22 3d97 s LYS 82 Cb 0.04 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 3d97 s LYS 82 CO -0.08 0.52 -0.19 -1.12 -0.92 0.00 0.00 175.35 173.55 3d97 s SER 83 N -0.38 2.73 -0.14 2.83 0.01 0.12 -0.50 113.70 118.36 3d97 s SER 83 Ca 0.18 -0.85 -0.05 0.00 1.31 0.00 0.00 55.95 56.54 3d97 s SER 83 Cb -0.14 -0.16 0.07 0.00 0.21 0.00 0.00 66.02 66.00 3d97 s SER 83 CO 0.07 -0.02 0.26 -0.22 0.41 0.00 0.00 173.24 173.73 3d97 s LEU 84 N -2.63 -0.28 -0.11 2.44 2.96 -0.84 -1.12 118.68 119.11 3d97 s LEU 84 Ca 0.16 0.48 -0.08 0.00 -0.22 0.00 0.00 54.13 54.46 3d97 s LEU 84 Cb -0.06 0.65 -0.04 0.00 0.50 0.00 0.00 46.19 47.24 3d97 s LEU 84 CO 0.07 -0.25 0.18 -0.69 -1.32 0.00 0.00 176.35 174.34 3d97 s VAL 85 N 2.41 5.43 0.04 1.68 1.01 -1.26 -1.70 120.40 128.01 3d97 s VAL 85 Ca 0.02 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.34 3d97 s VAL 85 Cb -0.12 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 3d97 s VAL 85 CO -0.09 0.60 -0.09 -0.54 0.00 0.00 0.00 175.10 174.98 3d97 s LYS 86 N -0.90 0.61 0.08 2.72 1.02 -0.39 -0.49 119.74 122.40 3d97 s LYS 86 Ca 0.16 -0.68 -0.31 0.00 0.02 0.00 0.00 55.97 55.16 3d97 s LYS 86 Cb -0.13 -0.48 -0.08 0.00 -0.52 0.00 0.00 37.83 36.62 3d97 s LYS 86 CO 0.05 0.11 1.59 -1.58 -0.92 0.00 0.00 175.35 174.59 3d97 s TRP 87 N -1.07 2.65 -0.16 3.18 0.52 -1.26 -1.04 118.94 121.76 3d97 s TRP 87 Ca -0.05 0.49 0.20 0.00 0.02 0.00 0.00 56.10 56.75 3d97 s TRP 87 Cb -0.08 -3.90 -0.10 0.00 -1.15 0.00 0.00 33.47 28.24 3d97 s TRP 87 CO 0.01 -3.49 0.85 -1.91 0.02 0.00 0.00 176.95 172.43 3d97 n GLU 88 N 5.16 0.62 -1.87 4.98 2.13 0.10 -4.92 120.64 126.84 3d97 n GLU 88 Ca 0.15 0.13 -0.01 0.00 0.66 0.00 0.00 57.16 58.08 3d97 n GLU 88 Cb 0.41 -1.77 0.01 0.00 0.27 0.00 0.00 31.44 30.35 3d97 n GLU 88 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3d97 n SER 89 N -2.73 -0.43 0.24 4.31 3.41 -1.12 -4.95 113.62 112.37 3d97 n SER 89 Ca -0.06 -1.25 0.08 0.00 -0.26 0.00 0.00 58.87 57.39 3d97 n SER 89 Cb 0.70 0.70 0.61 0.00 -0.26 0.00 0.00 64.21 65.96 3d97 n SER 89 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3d97 h GLU 90 N 0.00 0.00 -0.04 4.33 4.57 -2.01 -3.08 114.58 118.36 3d97 h GLU 90 Ca -0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3d97 h GLU 90 Cb 0.27 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 3d97 h GLU 90 CO 0.09 0.13 0.00 0.09 -1.18 0.00 0.00 179.01 178.14 3d97 n ASN 91 N -4.13 1.76 -3.81 1.04 3.02 -1.26 -4.35 115.26 107.54 3d97 n ASN 91 Ca -0.02 -1.64 -0.13 0.00 -0.03 0.00 0.00 54.58 52.76 3d97 n ASN 91 Cb 0.21 -0.02 -0.13 0.00 -0.61 0.00 0.00 39.78 39.23 3d97 n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3d97 s LYS 92 N -0.67 0.14 0.22 3.52 2.20 -1.16 -0.90 119.74 123.08 3d97 s LYS 92 Ca 0.03 0.23 0.11 0.00 -0.36 0.00 0.00 55.97 55.98 3d97 s LYS 92 Cb 0.02 0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.30 3d97 s LYS 92 CO 0.02 -0.06 -0.18 0.00 -0.36 0.00 0.00 175.35 174.78 3d97 s MET 93 N 0.37 1.75 -0.02 4.03 0.23 0.09 0.01 119.30 125.75 3d97 s MET 93 Ca -0.02 -1.52 0.01 0.00 -1.03 0.00 0.00 55.69 53.13 3d97 s MET 93 Cb -0.04 -1.93 0.01 0.00 -1.53 0.00 0.00 34.83 31.35 3d97 s MET 93 CO -0.01 0.39 -0.04 0.54 -2.03 0.00 0.00 175.02 173.86 3d97 s VAL 94 N -1.93 0.42 -0.15 5.16 0.11 -0.21 -1.70 120.40 122.10 3d97 s VAL 94 Ca 0.25 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 59.18 3d97 s VAL 94 Cb -0.07 -0.42 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 3d97 s VAL 94 CO 0.13 0.16 -0.20 0.00 -3.33 0.00 0.00 175.10 171.86 3d97 s GLU 96 N 0.94 3.71 0.02 0.00 0.41 -0.69 -1.82 118.70 121.28 3d97 s GLU 96 Ca -0.04 0.10 0.04 0.00 -0.41 0.00 0.00 54.97 54.67 3d97 s GLU 96 Cb -0.15 -3.22 -0.03 0.00 -1.78 0.00 0.00 34.13 28.94 3d97 s GLU 96 CO -0.04 0.69 -0.09 -0.65 -0.49 0.00 0.00 175.26 174.68 3d97 s GLN 97 N -0.91 2.43 -0.04 1.61 -0.21 -1.02 -1.98 119.66 119.54 3d97 s GLN 97 Ca 0.18 -0.80 -0.00 0.00 0.02 0.00 0.00 55.36 54.76 3d97 s GLN 97 Cb -0.14 -2.43 0.03 0.00 1.00 0.00 0.00 33.01 31.47 3d97 s GLN 97 CO 0.08 0.58 0.00 -1.59 -2.12 0.00 0.00 175.29 172.24 3d97 s LYS 98 N -1.51 0.39 0.40 2.91 0.00 0.34 -4.59 119.74 117.67 3d97 s LYS 98 Ca 0.17 0.09 -0.26 0.00 0.00 0.00 0.00 55.97 55.97 3d97 s LYS 98 Cb -0.11 -0.63 -0.11 0.00 0.00 0.00 0.00 37.83 36.98 3d97 s LYS 98 CO 0.08 -0.18 1.23 1.28 0.00 0.00 0.00 175.35 177.75 3d97 n LEU 99 N 4.45 3.62 -0.20 2.77 4.77 -1.26 0.02 117.00 131.17 3d97 n LEU 99 Ca -0.20 1.12 -0.10 0.00 -0.03 0.00 0.00 56.01 56.81 3d97 n LEU 99 Cb 0.50 -1.47 0.02 0.00 -2.33 0.00 0.00 43.42 40.14 3d97 n LEU 99 CO 0.18 -0.76 0.78 -0.07 -1.33 0.00 0.00 177.39 176.20 3d97 h LEU 100 N 2.11 1.04 -7.49 2.23 3.38 -1.82 -3.43 115.31 111.32 3d97 h LEU 100 Ca -0.47 -0.33 -0.33 0.00 0.09 0.00 0.00 57.88 56.85 3d97 h LEU 100 Cb 1.30 -0.28 -0.35 0.00 0.09 0.00 0.00 40.66 41.42 3d97 h LEU 100 CO 0.60 1.12 -0.74 -0.54 0.09 0.00 0.00 178.44 178.97 3d97 s LYS 101 N -4.94 0.04 0.00 1.13 1.02 -1.26 -5.08 119.74 110.65 3d97 s LYS 101 Ca -0.12 0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.08 3d97 s LYS 101 Cb 0.13 -0.39 0.00 0.00 -0.52 0.00 0.00 37.83 37.05 3d97 s LYS 101 CO 0.86 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 175.49 3d97 n GLY 102 N 4.49 1.13 3.66 -3.33 0.00 -1.26 -5.02 105.19 104.85 3d97 n GLY 102 Ca -0.21 -2.24 -0.24 0.00 0.00 0.00 0.00 46.02 43.33 3d97 n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d97 s GLU 103 N -1.24 2.20 0.10 1.61 8.01 -1.26 -4.76 118.70 123.36 3d97 s GLU 103 Ca 0.00 -1.62 -0.25 0.00 0.01 0.00 0.00 54.97 53.11 3d97 s GLU 103 Cb 0.00 -2.04 0.09 0.00 -4.31 0.00 0.00 34.13 27.86 3d97 s GLU 103 CO 0.00 0.18 1.14 0.20 0.01 0.00 0.00 175.26 176.79 3d97 s GLY 104 N -3.74 -0.00 0.87 -1.39 0.00 -1.26 -5.09 107.32 96.71 3d97 s GLY 104 Ca 0.35 -0.15 -0.11 0.00 0.00 0.00 0.00 44.72 44.81 3d97 s GLY 104 CO 0.20 3.52 1.14 2.56 0.00 0.00 0.00 173.10 180.52 3d97 s PRO 105 N -2.14 1.33 -0.12 2.90 0.04 -1.26 -4.91 135.00 130.84 3d97 s PRO 105 Ca 0.24 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 3d97 s PRO 105 Cb -0.02 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 3d97 s PRO 105 CO 0.03 -2.39 1.11 0.15 0.04 0.00 0.00 177.00 175.93 3d97 s LYS 106 N -4.63 4.34 0.05 4.56 1.02 -1.26 -4.89 119.74 118.93 3d97 s LYS 106 Ca 0.66 1.51 0.08 0.00 0.02 0.00 0.00 55.97 58.24 3d97 s LYS 106 Cb -0.22 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.46 3d97 s LYS 106 CO 0.56 -0.47 -0.21 0.95 -0.92 0.00 0.00 175.35 175.27 3d97 s THR 107 N 2.50 2.59 0.24 2.17 -4.23 -1.26 -2.00 115.64 115.65 3d97 s THR 107 Ca 0.51 -1.26 -0.14 0.00 -1.18 0.00 0.00 61.69 59.61 3d97 s THR 107 Cb -0.20 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.57 3d97 s THR 107 CO 0.16 0.34 0.51 -0.94 -0.54 0.00 0.00 174.62 174.15 3d97 s SER 108 N -1.41 -0.13 0.11 3.99 1.04 -0.95 -2.42 113.70 113.93 3d97 s SER 108 Ca 0.14 -0.84 -0.06 0.00 0.48 0.00 0.00 55.95 55.66 3d97 s SER 108 Cb -0.10 0.60 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 3d97 s SER 108 CO 0.04 -1.15 0.16 -1.66 0.98 0.00 0.00 173.24 171.61 3d97 s TRP 109 N -3.99 0.37 0.05 5.02 1.48 -0.76 -1.54 118.94 119.58 3d97 s TRP 109 Ca 0.19 -0.80 -0.01 0.00 -1.06 0.00 0.00 56.10 54.42 3d97 s TRP 109 Cb -0.01 -0.17 -0.03 0.00 -1.16 0.00 0.00 33.47 32.09 3d97 s TRP 109 CO 0.07 -0.56 -0.02 0.95 -4.06 0.00 0.00 176.95 173.34 3d97 s THR 110 N -3.92 0.20 -0.04 0.66 -4.23 -0.20 0.18 115.64 108.28 3d97 s THR 110 Ca 0.11 -1.64 -0.01 0.00 -1.18 0.00 0.00 61.69 58.97 3d97 s THR 110 Cb 0.05 -1.32 0.03 0.00 1.34 0.00 0.00 72.50 72.61 3d97 s THR 110 CO -0.06 -0.91 0.07 -0.76 -0.54 0.00 0.00 174.62 172.42 3d97 s LEU 111 N -2.69 0.90 -0.04 4.79 1.43 -0.69 -1.74 118.68 120.64 3d97 s LEU 111 Ca 0.03 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 3d97 s LEU 111 Cb 0.05 0.07 0.01 0.00 0.03 0.00 0.00 46.19 46.35 3d97 s LEU 111 CO -0.09 -0.14 -0.09 -0.70 0.23 0.00 0.00 176.35 175.56 3d97 s GLU 112 N 1.18 1.17 -0.31 1.70 2.12 -0.24 -0.73 118.70 123.58 3d97 s GLU 112 Ca -0.08 -0.30 -0.14 0.00 0.36 0.00 0.00 54.97 54.81 3d97 s GLU 112 Cb -0.12 -1.05 -0.03 0.00 0.26 0.00 0.00 34.13 33.19 3d97 s GLU 112 CO -0.04 0.05 0.30 -1.17 -0.54 0.00 0.00 175.26 173.85 3d97 s LEU 113 N 0.49 4.25 0.77 2.70 2.96 -0.08 -0.27 118.68 129.51 3d97 s LEU 113 Ca -0.09 -0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 53.65 3d97 s LEU 113 Cb -0.12 -2.27 0.09 0.00 0.50 0.00 0.00 46.19 44.39 3d97 s LEU 113 CO 0.01 -0.21 1.09 0.42 -1.32 0.00 0.00 176.35 176.35 3d97 s THR 114 N 1.91 2.16 0.52 3.68 -4.23 0.87 -4.82 115.64 115.73 3d97 s THR 114 Ca 0.10 -0.19 0.24 0.00 -1.18 0.00 0.00 61.69 60.66 3d97 s THR 114 Cb -0.16 -2.97 0.30 0.00 1.34 0.00 0.00 72.50 71.01 3d97 s THR 114 CO 0.11 0.00 2.16 -0.55 -0.54 0.00 0.00 174.62 175.80 3d97 h ASN 115 N -0.85 0.00 -0.36 3.99 -1.07 -1.99 -1.29 115.58 114.02 3d97 h ASN 115 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.93 3d97 h ASN 115 Cb 1.30 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.55 3d97 h ASN 115 CO 0.57 0.05 0.00 0.47 0.07 0.00 0.00 177.43 178.59 3d97 n ASP 116 N -4.03 2.02 -1.17 6.14 9.92 -1.26 -4.93 116.55 123.24 3d97 n ASP 116 Ca -0.03 -2.02 -0.13 0.00 -0.53 0.00 0.00 54.79 52.08 3d97 n ASP 116 Cb 0.14 -0.26 -0.03 0.00 -0.64 0.00 0.00 41.12 40.32 3d97 n ASP 116 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3d97 n GLY 117 N 1.04 0.74 3.90 0.44 0.00 -0.49 -5.05 105.19 105.78 3d97 n GLY 117 Ca 0.12 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 3d97 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d97 s GLU 118 N -3.71 3.63 -0.26 1.61 2.02 -1.26 -4.40 118.70 116.32 3d97 s GLU 118 Ca 0.00 -0.05 -0.08 0.00 0.02 0.00 0.00 54.97 54.86 3d97 s GLU 118 Cb 0.00 -2.73 -0.03 0.00 0.10 0.00 0.00 34.13 31.47 3d97 s GLU 118 CO 0.00 0.33 0.10 -1.17 0.02 0.00 0.00 175.26 174.54 3d97 s LEU 119 N -3.18 3.65 -0.21 1.80 2.96 -0.15 -0.09 118.68 123.46 3d97 s LEU 119 Ca 0.43 -0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 54.02 3d97 s LEU 119 Cb -0.11 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 3d97 s LEU 119 CO 0.27 -0.06 0.09 -0.63 -1.32 0.00 0.00 176.35 174.70 3d97 s ILE 120 N 1.64 4.88 -0.13 6.68 1.01 0.63 -0.74 121.20 135.17 3d97 s ILE 120 Ca 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.71 3d97 s ILE 120 Cb -0.16 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.06 3d97 s ILE 120 CO 0.05 0.40 -0.10 -0.70 0.00 0.00 0.00 174.94 174.59 3d97 s GLU 121 N 0.79 3.38 0.16 2.79 2.12 0.51 -1.08 118.70 127.37 3d97 s GLU 121 Ca 0.05 -0.64 0.09 0.00 0.36 0.00 0.00 54.97 54.83 3d97 s GLU 121 Cb -0.13 -2.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.53 3d97 s GLU 121 CO 0.02 0.27 -0.20 0.95 -0.54 0.00 0.00 175.26 175.76 3d97 s THR 122 N 0.23 1.91 -0.03 -1.70 -4.23 -0.71 -0.83 115.64 110.28 3d97 s THR 122 Ca -0.07 -1.86 0.02 0.00 -1.18 0.00 0.00 61.69 58.60 3d97 s THR 122 Cb -0.15 -1.84 0.01 0.00 1.34 0.00 0.00 72.50 71.85 3d97 s THR 122 CO 0.05 -0.22 -0.09 -0.04 -0.54 0.00 0.00 174.62 173.78 3d97 s MET 123 N -2.58 1.06 -0.03 3.99 -1.94 -0.40 -1.03 119.30 118.37 3d97 s MET 123 Ca 0.15 -0.29 0.05 0.00 -1.71 0.00 0.00 55.69 53.89 3d97 s MET 123 Cb -0.07 -0.97 -0.01 0.00 2.01 0.00 0.00 34.83 35.79 3d97 s MET 123 CO 0.07 0.07 -0.18 0.99 -0.01 0.00 0.00 175.02 175.96 3d97 s THR 124 N 0.38 1.46 -0.06 2.05 2.01 -0.59 -0.09 115.64 120.81 3d97 s THR 124 Ca -0.06 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.17 3d97 s THR 124 Cb -0.11 -1.23 0.03 0.00 0.01 0.00 0.00 72.50 71.20 3d97 s THR 124 CO 0.01 0.42 -0.00 0.00 -0.69 0.00 0.00 174.62 174.35 3d97 s ALA 125 N -0.18 0.64 0.00 7.40 0.00 -0.42 -2.25 121.76 126.95 3d97 s ALA 125 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3d97 s ALA 125 Cb -0.10 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.38 3d97 s ALA 125 CO 0.01 -0.35 0.00 -0.25 0.00 0.00 0.00 175.76 175.17 3d97 n ASP 126 N 4.87 0.00 -0.67 0.00 8.00 -0.85 -0.36 116.55 127.54 3d97 n ASP 126 Ca -0.12 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.44 3d97 n ASP 126 Cb 0.50 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.76 3d97 n ASP 126 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3d97 n ASP 127 N 6.39 2.94 -4.78 -2.24 5.75 -1.26 -4.92 116.55 118.43 3d97 n ASP 127 Ca 0.00 -1.97 -0.36 0.00 -0.01 0.00 0.00 54.79 52.45 3d97 n ASP 127 Cb 0.00 -0.24 -0.08 0.00 -1.03 0.00 0.00 41.12 39.78 3d97 n ASP 127 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3d97 s VAL 128 N -1.00 5.24 -0.17 2.12 1.01 0.51 -5.08 120.40 123.03 3d97 s VAL 128 Ca 0.24 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.35 3d97 s VAL 128 Cb 0.13 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 33.21 3d97 s VAL 128 CO 0.17 0.54 -0.20 -0.69 0.00 0.00 0.00 175.10 174.93 3d97 s VAL 129 N -0.41 2.15 -0.09 2.92 1.01 -1.26 -1.30 120.40 123.41 3d97 s VAL 129 Ca 0.11 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 61.02 3d97 s VAL 129 Cb -0.12 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 3d97 s VAL 129 CO 0.02 0.54 0.38 0.00 0.00 0.00 0.00 175.10 176.03 3d97 s THR 131 N -0.05 1.03 0.02 0.00 2.01 -0.57 -1.27 115.64 116.81 3d97 s THR 131 Ca 0.22 -0.50 0.05 0.00 0.31 0.00 0.00 61.69 61.76 3d97 s THR 131 Cb -0.15 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.45 3d97 s THR 131 CO 0.09 0.31 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.65 3d97 s LYS 132 N 0.07 1.00 -0.05 4.92 1.02 -0.01 -0.80 119.74 125.90 3d97 s LYS 132 Ca -0.02 -0.65 0.04 0.00 0.02 0.00 0.00 55.97 55.36 3d97 s LYS 132 Cb -0.09 -0.99 -0.00 0.00 -0.52 0.00 0.00 37.83 36.23 3d97 s LYS 132 CO 0.01 0.26 -0.17 0.08 -0.92 0.00 0.00 175.35 174.61 3d97 s VAL 133 N -0.63 1.41 0.18 3.17 1.01 -0.32 -0.36 120.40 124.87 3d97 s VAL 133 Ca 0.03 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.40 3d97 s VAL 133 Cb -0.07 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 3d97 s VAL 133 CO 0.01 0.41 -0.17 -0.31 0.00 0.00 0.00 175.10 175.03 3d97 s TYR 134 N 0.13 1.81 0.24 5.22 1.51 0.08 0.14 117.35 126.47 3d97 s TYR 134 Ca -0.06 -0.49 0.11 0.00 -1.01 0.00 0.00 57.07 55.62 3d97 s TYR 134 Cb -0.12 -0.87 -0.05 0.00 -0.11 0.00 0.00 41.96 40.81 3d97 s TYR 134 CO 0.03 0.36 -0.21 0.14 -1.11 0.00 0.00 175.55 174.76 3d97 s VAL 135 N -2.37 2.34 0.13 0.71 -7.23 -0.58 -0.97 120.40 112.42 3d97 s VAL 135 Ca 0.19 -2.23 -0.30 0.00 -1.81 0.00 0.00 61.98 57.82 3d97 s VAL 135 Cb -0.04 -2.19 -0.07 0.00 0.56 0.00 0.00 36.38 34.64 3d97 s VAL 135 CO 0.07 -0.31 1.22 -0.13 -0.31 0.00 0.00 175.10 175.64 3d97 s ARG 136 N -3.18 4.45 0.00 4.82 0.52 -1.26 -0.56 118.95 123.73 3d97 s ARG 136 Ca 0.25 1.86 0.30 0.00 -0.52 0.00 0.00 55.73 57.62 3d97 s ARG 136 Cb -0.06 -3.28 1.79 0.00 0.52 0.00 0.00 34.95 33.92 3d97 s ARG 136 CO 0.12 -0.20 2.12 -1.91 0.02 0.00 0.00 175.30 175.46