#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 4.34 0.00 2.55 2.47 -1.26 -5.00 114.94 118.05 3d96 s ASN 2 Ca 0.00 -0.79 0.30 0.00 0.42 0.00 0.00 52.86 52.79 3d96 s ASN 2 Cb 0.00 -1.69 1.52 0.00 -1.45 0.00 0.00 41.25 39.63 3d96 s ASN 2 CO 0.00 -0.12 2.04 0.49 -3.72 0.00 0.00 177.10 175.79 3d96 n PHE 3 N 4.70 0.00 -2.05 0.43 3.01 -1.26 -4.96 117.46 117.33 3d96 n PHE 3 Ca -0.17 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.89 3d96 n PHE 3 Cb 0.48 -0.20 -0.01 0.00 -0.01 0.00 0.00 39.48 39.73 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 -2.43 6.46 0.00 4.37 0.01 -1.26 -4.64 113.70 116.21 3d96 s SER 4 Ca 0.32 2.70 0.00 0.00 1.31 0.00 0.00 55.95 60.28 3d96 s SER 4 Cb 0.21 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.79 3d96 s SER 4 CO 0.45 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.96 3d96 n GLY 5 N 0.69 0.40 3.38 3.44 0.00 0.25 -4.93 105.19 108.42 3d96 n GLY 5 Ca 0.02 -1.78 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.94 4.32 -0.08 1.61 0.01 -1.26 -0.78 114.94 115.82 3d96 s ASN 6 Ca 0.00 -0.30 0.03 0.00 -0.71 0.00 0.00 52.86 51.88 3d96 s ASN 6 Cb 0.00 -1.71 -0.01 0.00 0.41 0.00 0.00 41.25 39.94 3d96 s ASN 6 CO 0.00 0.09 -0.19 0.26 -1.51 0.00 0.00 177.10 175.75 3d96 s TRP 7 N 0.81 2.62 -0.04 2.20 0.52 0.36 -1.03 118.94 124.39 3d96 s TRP 7 Ca -0.03 -0.63 0.06 0.00 0.02 0.00 0.00 56.10 55.52 3d96 s TRP 7 Cb -0.15 -1.70 -0.02 0.00 -1.15 0.00 0.00 33.47 30.45 3d96 s TRP 7 CO 0.01 -0.16 -0.21 -1.59 0.02 0.00 0.00 176.95 175.02 3d96 s LYS 8 N -0.04 2.31 0.25 4.98 -2.85 0.32 -2.27 119.74 122.44 3d96 s LYS 8 Ca -0.05 -0.84 -0.30 0.00 -1.00 0.00 0.00 55.97 53.78 3d96 s LYS 8 Cb -0.14 -2.18 -0.09 0.00 -2.06 0.00 0.00 37.83 33.35 3d96 s LYS 8 CO 0.04 0.56 1.14 -1.50 0.10 0.00 0.00 175.35 175.70 3d96 s ILE 9 N -0.60 3.48 -0.05 3.79 2.07 -1.26 -1.19 121.20 127.43 3d96 s ILE 9 Ca 0.09 1.40 0.02 0.00 -1.41 0.00 0.00 60.65 60.76 3d96 s ILE 9 Cb -0.11 -3.89 -0.03 0.00 0.13 0.00 0.00 42.46 38.56 3d96 s ILE 9 CO 0.00 0.30 0.07 2.30 -1.91 0.00 0.00 174.94 175.70 3d96 n ILE 10 N 1.59 0.00 -3.54 2.00 -5.35 0.76 -4.90 119.36 109.92 3d96 n ILE 10 Ca 0.01 -0.25 -0.15 0.00 -0.27 0.00 0.00 62.75 62.09 3d96 n ILE 10 Cb 0.45 0.72 -0.06 0.00 -1.74 0.00 0.00 39.64 39.01 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 -1.69 0.88 -0.12 6.28 0.52 -1.12 -5.00 118.95 118.70 3d96 s ARG 11 Ca -0.00 0.23 -0.10 0.00 -0.52 0.00 0.00 55.73 55.34 3d96 s ARG 11 Cb 0.02 0.42 0.04 0.00 0.52 0.00 0.00 34.95 35.94 3d96 s ARG 11 CO 0.09 -0.27 0.32 0.45 0.02 0.00 0.00 175.30 175.92 3d96 s SER 12 N -1.12 -0.35 0.00 0.23 0.15 -1.26 -1.52 113.70 109.83 3d96 s SER 12 Ca -0.07 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.24 3d96 s SER 12 Cb -0.00 0.64 -0.00 0.00 -1.71 0.00 0.00 66.02 64.95 3d96 s SER 12 CO 0.07 -0.13 -0.00 -1.83 1.20 0.00 0.00 173.24 172.55 3d96 s GLU 13 N 0.43 0.03 -0.90 5.44 -1.05 -0.00 -4.93 118.70 117.72 3d96 s GLU 13 Ca -0.02 -0.02 0.00 0.00 -0.15 0.00 0.00 54.97 54.78 3d96 s GLU 13 Cb -0.04 -0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.63 3d96 s GLU 13 CO -0.02 0.00 0.00 0.09 0.95 0.00 0.00 175.26 176.28 3d96 n ASN 14 N 3.05 -4.07 0.05 0.83 3.02 -1.26 -1.70 115.26 115.18 3d96 n ASN 14 Ca -0.12 0.21 -0.13 0.00 -0.03 0.00 0.00 54.58 54.51 3d96 n ASN 14 Cb 0.60 -2.31 -0.08 0.00 -0.61 0.00 0.00 39.78 37.37 3d96 n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3d96 h PHE 15 N 0.00 -0.09 -0.68 3.10 3.57 -1.91 -0.72 116.94 120.20 3d96 h PHE 15 Ca -0.17 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.27 3d96 h PHE 15 Cb 0.57 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 3d96 h PHE 15 CO 0.25 0.13 0.21 1.49 -2.23 0.00 0.00 178.31 178.16 3d96 h GLU 16 N -0.31 1.05 -0.92 1.11 4.81 -1.95 -2.56 114.58 115.81 3d96 h GLU 16 Ca -0.01 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 3d96 h GLU 16 Cb 0.27 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3d96 h GLU 16 CO 0.02 0.90 0.52 0.93 -0.73 0.00 0.00 179.01 180.64 3d96 h GLU 17 N 1.01 1.27 -0.20 1.92 4.39 -1.94 0.18 114.58 121.21 3d96 h GLU 17 Ca 0.22 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3d96 h GLU 17 Cb 0.29 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3d96 h GLU 17 CO -0.01 0.92 0.13 1.25 -1.16 0.00 0.00 179.01 180.14 3d96 h LEU 18 N 1.28 0.24 -0.93 1.33 5.85 -0.91 -0.45 115.31 121.71 3d96 h LEU 18 Ca 0.32 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.06 3d96 h LEU 18 Cb 0.00 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 3d96 h LEU 18 CO -0.05 0.18 0.61 -0.07 -0.34 0.00 0.00 178.44 178.76 3d96 h LEU 19 N 0.27 1.03 -0.39 2.25 3.38 -1.05 -2.38 115.31 118.42 3d96 h LEU 19 Ca 0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3d96 h LEU 19 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3d96 h LEU 19 CO -0.02 0.72 0.21 0.50 0.09 0.00 0.00 178.44 179.94 3d96 h LYS 20 N 1.20 0.55 0.00 1.13 3.64 -0.23 -1.54 116.57 121.34 3d96 h LYS 20 Ca 0.36 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 3d96 h LYS 20 Cb -0.04 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3d96 h LYS 20 CO -0.11 0.46 -0.16 -0.39 -2.27 0.00 0.00 179.45 176.98 3d96 h VAL 21 N 0.50 0.56 0.00 2.00 -1.51 -0.86 -0.41 116.25 116.53 3d96 h VAL 21 Ca 0.14 -0.77 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 3d96 h VAL 21 Cb 0.07 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 3d96 h VAL 21 CO -0.02 0.16 0.00 0.18 -1.23 0.00 0.00 177.57 176.66 3d96 n LEU 22 N -3.54 0.00 0.00 4.19 4.77 -0.92 -4.92 117.00 116.59 3d96 n LEU 22 Ca -0.01 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3d96 n LEU 22 Cb 0.31 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3d96 n LEU 22 CO 0.31 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3d96 n GLY 23 N 1.03 0.70 3.71 -0.72 0.00 -0.16 -5.05 105.19 104.70 3d96 n GLY 23 Ca 0.16 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 3.91 0.81 1.61 1.01 -0.62 -5.01 120.40 120.12 3d96 s VAL 24 Ca 0.00 1.37 -0.11 0.00 0.00 0.00 0.00 61.98 63.24 3d96 s VAL 24 Cb 0.00 -3.88 0.08 0.00 0.00 0.00 0.00 36.38 32.58 3d96 s VAL 24 CO 0.00 0.10 1.09 0.54 0.00 0.00 0.00 175.10 176.83 3d96 s ASN 25 N 1.08 4.27 0.17 3.32 2.20 -1.26 -4.53 114.94 120.19 3d96 s ASN 25 Ca 0.60 1.58 -0.14 0.00 -0.94 0.00 0.00 52.86 53.96 3d96 s ASN 25 Cb -0.31 -2.31 0.05 0.00 -2.00 0.00 0.00 41.25 36.69 3d96 s ASN 25 CO 0.29 -2.15 1.81 0.58 -2.94 0.00 0.00 177.10 174.70 3d96 h VAL 26 N -1.21 1.15 -0.86 3.54 2.07 -1.99 -0.79 116.25 118.16 3d96 h VAL 26 Ca -0.46 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 66.76 3d96 h VAL 26 Cb 1.25 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 3d96 h VAL 26 CO 0.55 0.15 0.57 -0.03 0.02 0.00 0.00 177.57 178.82 3d96 h MET 27 N 0.69 1.11 -0.01 1.57 1.85 -2.00 -0.99 114.93 117.15 3d96 h MET 27 Ca 0.19 -0.07 -0.13 0.00 -0.61 0.00 0.00 59.70 59.08 3d96 h MET 27 Cb -0.04 -0.25 -0.02 0.00 0.43 0.00 0.00 31.60 31.73 3d96 h MET 27 CO -0.04 0.73 -0.62 -0.07 -0.40 0.00 0.00 176.91 176.52 3d96 h LEU 28 N 1.14 0.06 -0.79 3.39 3.38 -1.69 -2.33 115.31 118.48 3d96 h LEU 28 Ca 0.32 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 3d96 h LEU 28 Cb -0.11 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3d96 h LEU 28 CO -0.08 0.66 0.01 0.03 0.09 0.00 0.00 178.44 179.15 3d96 h ARG 29 N 0.04 0.93 -0.19 1.13 3.08 -0.58 -0.82 114.38 117.98 3d96 h ARG 29 Ca -0.01 -0.27 -0.16 0.00 0.07 0.00 0.00 59.98 59.62 3d96 h ARG 29 Cb 1.10 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 3d96 h ARG 29 CO 0.08 0.92 -0.53 0.87 -1.07 0.00 0.00 179.97 180.24 3d96 h LYS 30 N 0.86 0.54 -0.27 0.04 1.79 -1.01 -2.06 116.57 116.47 3d96 h LYS 30 Ca 0.16 -0.33 -0.00 0.00 -2.18 0.00 0.00 60.65 58.30 3d96 h LYS 30 Cb 0.49 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 3d96 h LYS 30 CO 0.02 0.94 0.16 0.82 -1.08 0.00 0.00 179.45 180.30 3d96 h ILE 31 N 0.42 1.11 -0.44 1.86 1.08 -1.21 -2.05 117.51 118.28 3d96 h ILE 31 Ca 0.01 -0.28 0.03 0.00 -0.39 0.00 0.00 64.86 64.23 3d96 h ILE 31 Cb 1.06 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 35.60 3d96 h ILE 31 CO 0.10 0.11 0.29 0.00 -0.69 0.00 0.00 178.15 177.96 3d96 h ALA 32 N 1.04 1.79 0.06 1.87 0.00 -1.00 0.18 119.26 123.20 3d96 h ALA 32 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3d96 h ALA 32 Cb 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3d96 h ALA 32 CO -0.02 0.17 -0.03 0.28 0.00 0.00 0.00 179.25 179.65 3d96 h VAL 33 N 0.51 1.09 -0.60 0.00 2.07 -1.00 0.56 116.25 118.88 3d96 h VAL 33 Ca 0.17 -0.50 0.08 0.00 0.82 0.00 0.00 66.70 67.28 3d96 h VAL 33 Cb 0.07 1.42 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 3d96 h VAL 33 CO -0.04 0.13 0.24 0.00 0.02 0.00 0.00 177.57 177.92 3d96 h ALA 34 N 0.63 0.78 0.00 1.67 0.00 -0.62 -2.34 119.26 119.37 3d96 h ALA 34 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3d96 h ALA 34 Cb 0.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3d96 h ALA 34 CO 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.10 3d96 n ALA 35 N -2.44 1.79 -0.39 0.00 0.00 0.55 -1.65 120.51 118.38 3d96 n ALA 35 Ca 0.08 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.66 3d96 n ALA 35 Cb 0.25 -1.37 0.31 0.00 0.00 0.00 0.00 19.45 18.63 3d96 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d96 n ALA 36 N -1.71 2.45 -1.78 0.00 0.00 0.17 -4.60 120.51 115.05 3d96 n ALA 36 Ca 0.03 -1.34 -0.42 0.00 0.00 0.00 0.00 53.44 51.72 3d96 n ALA 36 Cb 0.25 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 3d96 n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3d96 s SER 37 N -1.00 6.43 -0.97 0.00 0.01 -0.66 -3.83 113.70 113.68 3d96 s SER 37 Ca 0.46 2.81 -0.12 0.00 1.31 0.00 0.00 55.95 60.41 3d96 s SER 37 Cb 0.25 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.89 3d96 s SER 37 CO 0.30 -0.94 0.68 2.29 0.41 0.00 0.00 173.24 175.98 3d96 n LYS 38 N 3.91 -1.16 -1.76 12.44 -0.00 -1.26 -3.61 118.16 126.71 3d96 n LYS 38 Ca 0.15 0.66 -0.33 0.00 -0.00 0.00 0.00 58.31 58.79 3d96 n LYS 38 Cb 0.36 -3.29 0.04 0.00 -0.00 0.00 0.00 35.03 32.15 3d96 n LYS 38 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3d96 s PRO 39 N -5.41 2.87 -0.09 -1.58 0.04 -1.25 -4.43 135.00 125.16 3d96 s PRO 39 Ca 0.22 1.29 0.03 0.00 0.04 0.00 0.00 61.00 62.57 3d96 s PRO 39 Cb -0.10 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.49 3d96 s PRO 39 CO 0.88 -1.18 -0.17 0.00 0.04 0.00 0.00 177.00 176.57 3d96 s ALA 40 N -2.48 1.69 -0.22 8.56 0.00 0.30 -4.56 121.76 125.04 3d96 s ALA 40 Ca 0.65 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.90 3d96 s ALA 40 Cb -0.19 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.23 3d96 s ALA 40 CO 0.43 0.14 -0.08 0.08 0.00 0.00 0.00 175.76 176.33 3d96 s VAL 41 N 0.61 2.93 -0.23 0.00 1.01 -0.96 -0.47 120.40 123.29 3d96 s VAL 41 Ca -0.14 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 3d96 s VAL 41 Cb -0.16 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 3d96 s VAL 41 CO 0.04 0.36 0.06 -0.70 0.00 0.00 0.00 175.10 174.87 3d96 s GLU 42 N 1.39 3.70 -0.09 2.72 2.12 0.73 -0.48 118.70 128.79 3d96 s GLU 42 Ca 0.04 -0.46 0.02 0.00 0.36 0.00 0.00 54.97 54.92 3d96 s GLU 42 Cb -0.15 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 3d96 s GLU 42 CO -0.06 -0.10 -0.13 0.42 -0.54 0.00 0.00 175.26 174.85 3d96 s ILE 43 N 1.36 3.09 -0.22 -3.70 1.01 0.04 -1.03 121.20 121.75 3d96 s ILE 43 Ca 0.05 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.02 3d96 s ILE 43 Cb -0.15 -2.25 0.05 0.00 0.01 0.00 0.00 42.46 40.13 3d96 s ILE 43 CO 0.03 0.56 -0.06 -0.54 0.00 0.00 0.00 174.94 174.93 3d96 s LYS 44 N -0.24 1.69 -0.15 2.79 3.01 -0.37 -0.59 119.74 125.89 3d96 s LYS 44 Ca 0.01 -0.92 -0.01 0.00 -1.01 0.00 0.00 55.97 54.04 3d96 s LYS 44 Cb -0.13 -2.50 -0.01 0.00 -1.01 0.00 0.00 37.83 34.17 3d96 s LYS 44 CO 0.03 -0.55 -0.10 -1.14 0.51 0.00 0.00 175.35 174.10 3d96 s GLN 45 N 1.42 3.41 -0.46 1.68 0.74 -1.26 -1.11 119.66 124.08 3d96 s GLN 45 Ca -0.04 -0.65 0.03 0.00 0.05 0.00 0.00 55.36 54.74 3d96 s GLN 45 Cb -0.18 -2.74 0.13 0.00 1.10 0.00 0.00 33.01 31.32 3d96 s GLN 45 CO -0.07 0.13 0.24 -1.21 -0.55 0.00 0.00 175.29 173.84 3d96 s GLU 46 N 0.58 1.50 7.97 1.67 2.02 -0.41 -4.83 118.70 127.20 3d96 s GLU 46 Ca -0.06 -2.19 0.00 0.00 0.02 0.00 0.00 54.97 52.74 3d96 s GLU 46 Cb -0.15 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.42 3d96 s GLU 46 CO 0.03 -1.14 0.00 0.41 0.02 0.00 0.00 175.26 174.58 3d96 n GLY 47 N 3.43 3.56 0.75 -1.39 0.00 -1.26 -1.85 105.19 108.43 3d96 n GLY 47 Ca 0.07 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 8.86 2.25 -4.75 1.61 8.00 -1.26 -4.89 116.55 126.38 3d96 n ASP 48 Ca 0.00 -1.80 -0.35 0.00 0.71 0.00 0.00 54.79 53.34 3d96 n ASP 48 Cb 0.00 -0.14 -0.08 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.72 5.34 -0.01 -3.53 2.01 -0.77 -0.97 115.64 115.99 3d96 s THR 49 Ca 0.34 0.16 0.05 0.00 0.31 0.00 0.00 61.69 62.56 3d96 s THR 49 Cb 0.19 -3.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.27 3d96 s THR 49 CO 0.28 0.48 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.16 3d96 s PHE 50 N 0.09 1.51 -0.12 4.92 0.40 0.11 -1.29 117.98 123.61 3d96 s PHE 50 Ca 0.09 -0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.14 3d96 s PHE 50 Cb -0.11 -0.96 -0.01 0.00 0.51 0.00 0.00 43.02 42.45 3d96 s PHE 50 CO -0.01 -0.02 -0.18 -0.47 0.70 0.00 0.00 175.22 175.25 3d96 s TYR 51 N -0.44 2.70 -0.13 0.36 5.04 -0.26 -1.52 117.35 123.10 3d96 s TYR 51 Ca 0.06 -0.91 -0.00 0.00 -2.44 0.00 0.00 57.07 53.78 3d96 s TYR 51 Cb -0.07 -1.80 0.03 0.00 0.35 0.00 0.00 41.96 40.47 3d96 s TYR 51 CO -0.00 -0.36 -0.07 0.42 -1.34 0.00 0.00 175.55 174.20 3d96 s ILE 52 N 0.45 1.04 -0.22 3.14 1.01 -0.29 -1.23 121.20 125.10 3d96 s ILE 52 Ca -0.13 -0.37 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 3d96 s ILE 52 Cb -0.17 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.19 3d96 s ILE 52 CO 0.06 0.31 -0.04 -0.75 0.00 0.00 0.00 174.94 174.51 3d96 s LYS 53 N 1.69 3.40 -0.28 2.79 2.20 -0.20 -1.12 119.74 128.22 3d96 s LYS 53 Ca 0.04 -0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 55.00 3d96 s LYS 53 Cb -0.13 -3.01 0.03 0.00 -1.51 0.00 0.00 37.83 33.21 3d96 s LYS 53 CO -0.08 -0.17 -0.00 0.99 -0.36 0.00 0.00 175.35 175.72 3d96 s THR 54 N 1.41 3.16 -0.07 3.43 2.01 -0.28 -0.19 115.64 125.12 3d96 s THR 54 Ca 0.05 -1.10 0.05 0.00 0.31 0.00 0.00 61.69 61.00 3d96 s THR 54 Cb -0.14 -2.70 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 3d96 s THR 54 CO -0.02 0.04 -0.23 -0.55 -0.69 0.00 0.00 174.62 173.17 3d96 s SER 55 N 1.33 2.82 0.30 3.53 0.15 0.38 -1.02 113.70 121.20 3d96 s SER 55 Ca -0.01 -0.48 0.01 0.00 0.70 0.00 0.00 55.95 56.16 3d96 s SER 55 Cb -0.18 -0.94 -0.00 0.00 -1.71 0.00 0.00 66.02 63.19 3d96 s SER 55 CO -0.02 0.19 0.02 0.35 1.20 0.00 0.00 173.24 174.99 3d96 n THR 56 N 3.18 0.00 -0.34 6.45 -2.24 0.94 0.11 114.28 122.37 3d96 n THR 56 Ca -0.18 -1.50 -0.03 0.00 -2.27 0.00 0.00 64.05 60.07 3d96 n THR 56 Cb 0.52 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 3d96 n THR 56 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3d96 n THR 57 N -0.75 -0.49 -1.59 4.28 -2.24 -1.24 -3.54 114.28 108.71 3d96 n THR 57 Ca -0.11 2.04 0.05 0.00 -2.27 0.00 0.00 64.05 63.76 3d96 n THR 57 Cb 0.40 -2.65 0.07 0.00 -2.10 0.00 0.00 70.33 66.05 3d96 n THR 57 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3d96 n VAL 58 N -5.22 0.94 -3.72 2.28 0.31 -1.26 -5.03 118.33 106.63 3d96 n VAL 58 Ca 0.07 -1.21 -0.12 0.00 -0.01 0.00 0.00 64.34 63.07 3d96 n VAL 58 Cb 0.31 0.16 -0.11 0.00 -0.91 0.00 0.00 33.84 33.30 3d96 n VAL 58 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3d96 s ARG 59 N -1.43 0.40 -0.05 5.55 0.52 -1.23 -5.11 118.95 117.60 3d96 s ARG 59 Ca 0.18 0.63 0.01 0.00 -0.52 0.00 0.00 55.73 56.03 3d96 s ARG 59 Cb 0.16 0.09 0.02 0.00 0.52 0.00 0.00 34.95 35.74 3d96 s ARG 59 CO 0.00 -0.10 -0.07 0.99 0.02 0.00 0.00 175.30 176.14 3d96 s THR 60 N 0.77 0.73 -0.03 0.02 2.01 -1.26 -0.04 115.64 117.83 3d96 s THR 60 Ca -0.05 -0.22 0.06 0.00 0.31 0.00 0.00 61.69 61.79 3d96 s THR 60 Cb -0.06 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 3d96 s THR 60 CO -0.06 0.27 -0.21 0.42 -0.69 0.00 0.00 174.62 174.36 3d96 s THR 61 N 0.91 2.52 -0.03 -0.82 -4.23 -0.19 -5.00 115.64 108.80 3d96 s THR 61 Ca -0.11 -0.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.49 3d96 s THR 61 Cb -0.15 -1.93 0.01 0.00 1.34 0.00 0.00 72.50 71.77 3d96 s THR 61 CO 0.01 0.59 -0.08 -1.61 -0.54 0.00 0.00 174.62 172.98 3d96 s GLU 62 N -0.66 0.95 0.05 3.99 2.02 -1.26 -1.12 118.70 122.66 3d96 s GLU 62 Ca 0.10 -0.26 0.05 0.00 0.02 0.00 0.00 54.97 54.89 3d96 s GLU 62 Cb -0.10 -0.88 -0.02 0.00 0.10 0.00 0.00 34.13 33.22 3d96 s GLU 62 CO -0.00 0.07 -0.16 0.96 0.02 0.00 0.00 175.26 176.15 3d96 s ILE 63 N 0.35 1.24 -0.07 -1.63 -4.36 -0.28 -5.00 121.20 111.45 3d96 s ILE 63 Ca -0.05 -1.11 0.02 0.00 -0.26 0.00 0.00 60.65 59.25 3d96 s ILE 63 Cb -0.10 -1.12 0.01 0.00 1.25 0.00 0.00 42.46 42.50 3d96 s ILE 63 CO 0.01 -0.00 -0.13 0.20 0.24 0.00 0.00 174.94 175.26 3d96 s ASN 64 N -1.28 1.87 0.13 4.36 0.01 -1.26 -1.13 114.94 117.64 3d96 s ASN 64 Ca 0.02 -0.31 -0.13 0.00 -0.71 0.00 0.00 52.86 51.72 3d96 s ASN 64 Cb -0.08 -0.86 0.02 0.00 0.41 0.00 0.00 41.25 40.73 3d96 s ASN 64 CO 0.02 0.03 0.35 0.72 -1.51 0.00 0.00 177.10 176.70 3d96 s PHE 65 N 0.72 -0.04 -0.06 2.20 -0.12 -0.58 -4.90 117.98 115.20 3d96 s PHE 65 Ca -0.13 -0.32 0.05 0.00 -0.05 0.00 0.00 56.93 56.48 3d96 s PHE 65 Cb -0.16 0.16 -0.01 0.00 -0.63 0.00 0.00 43.02 42.37 3d96 s PHE 65 CO 0.03 -0.69 -0.22 0.21 -0.05 0.00 0.00 175.22 174.50 3d96 s LYS 66 N -3.84 2.62 0.15 1.99 2.20 -1.26 0.08 119.74 121.67 3d96 s LYS 66 Ca 0.06 -0.85 -0.34 0.00 -0.36 0.00 0.00 55.97 54.48 3d96 s LYS 66 Cb 0.02 -2.24 -0.15 0.00 -1.51 0.00 0.00 37.83 33.96 3d96 s LYS 66 CO -0.09 0.41 1.49 0.28 -0.36 0.00 0.00 175.35 177.07 3d96 n VAL 67 N 2.89 0.15 -0.50 4.02 0.31 -0.15 -1.60 118.33 123.45 3d96 n VAL 67 Ca -0.17 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3d96 n VAL 67 Cb 0.52 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 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 3.00 0.75 3.13 2.92 0.00 0.12 -5.01 105.19 110.10 3d96 n GLY 68 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.50 2.56 0.41 1.61 0.41 -0.63 -4.99 118.70 117.57 3d96 s GLU 69 Ca 0.00 -0.70 -0.26 0.00 -0.41 0.00 0.00 54.97 53.60 3d96 s GLU 69 Cb 0.00 -2.03 -0.09 0.00 -1.78 0.00 0.00 34.13 30.24 3d96 s GLU 69 CO 0.00 0.06 1.32 -1.21 -0.49 0.00 0.00 175.26 174.95 3d96 s GLU 70 N 0.63 3.95 0.27 1.61 2.02 -1.26 -4.53 118.70 121.38 3d96 s GLU 70 Ca -0.13 2.20 0.01 0.00 0.02 0.00 0.00 54.97 57.07 3d96 s GLU 70 Cb -0.16 -2.76 -0.03 0.00 0.10 0.00 0.00 34.13 31.28 3d96 s GLU 70 CO 0.04 -0.53 0.26 -0.59 0.02 0.00 0.00 175.26 174.46 3d96 s PHE 71 N -1.25 1.30 -0.13 1.61 -0.71 -0.17 -4.96 117.98 113.68 3d96 s PHE 71 Ca 0.57 -1.42 -0.02 0.00 -1.04 0.00 0.00 56.93 55.02 3d96 s PHE 71 Cb -0.39 -0.49 -0.02 0.00 -1.21 0.00 0.00 43.02 40.90 3d96 s PHE 71 CO 0.50 -0.82 -0.07 -2.00 -1.34 0.00 0.00 175.22 171.49 3d96 s GLU 72 N -3.75 3.42 0.00 1.99 2.12 -1.26 0.73 118.70 121.95 3d96 s GLU 72 Ca 0.37 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 55.12 3d96 s GLU 72 Cb 0.04 -2.76 0.00 0.00 0.26 0.00 0.00 34.13 31.66 3d96 s GLU 72 CO 0.19 0.31 0.00 -0.85 -0.54 0.00 0.00 175.26 174.36 3d96 n GLU 73 N 3.29 0.00 -4.56 4.30 0.28 -0.55 -4.94 120.64 118.46 3d96 n GLU 73 Ca -0.18 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.52 3d96 n GLU 73 Cb 0.53 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.27 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 0.39 1.94 1.19 3.44 -0.21 -1.26 -0.60 119.66 124.55 3d96 s GLN 74 Ca 0.00 -1.07 -0.15 0.00 0.02 0.00 0.00 55.36 54.16 3d96 s GLN 74 Cb 0.00 -2.14 0.28 0.00 1.00 0.00 0.00 33.01 32.16 3d96 s GLN 74 CO 0.00 0.52 1.03 0.95 -2.12 0.00 0.00 175.29 175.67 3d96 s THR 75 N -0.99 1.82 0.43 -0.19 -4.23 0.49 -4.85 115.64 108.12 3d96 s THR 75 Ca 0.15 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.86 3d96 s THR 75 Cb -0.10 -2.21 0.22 0.00 1.34 0.00 0.00 72.50 71.75 3d96 s THR 75 CO 0.06 0.00 2.01 1.62 -0.54 0.00 0.00 174.62 177.77 3d96 h VAL 76 N -2.63 0.92 -0.20 2.29 3.04 -1.98 -0.50 116.25 117.18 3d96 h VAL 76 Ca -0.56 -0.66 0.00 0.00 -1.01 0.00 0.00 66.70 64.47 3d96 h VAL 76 Cb 1.33 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 31.99 3d96 h VAL 76 CO 0.47 0.17 0.00 -0.90 -1.01 0.00 0.00 177.57 176.30 3d96 n ASP 77 N -4.02 2.19 0.00 3.17 5.75 -1.26 -4.97 116.55 117.41 3d96 n ASP 77 Ca -0.02 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 3d96 n ASP 77 Cb 0.26 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 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 1.24 1.02 3.75 6.12 0.00 -0.20 -5.09 105.19 112.04 3d96 n GLY 78 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.49 4.28 0.26 1.61 0.52 -1.26 -4.72 118.95 119.14 3d96 s ARG 79 Ca 0.00 0.51 -0.31 0.00 -0.52 0.00 0.00 55.73 55.41 3d96 s ARG 79 Cb 0.00 -3.39 -0.12 0.00 0.52 0.00 0.00 34.95 31.96 3d96 s ARG 79 CO 0.00 0.28 1.56 -2.30 0.02 0.00 0.00 175.30 174.86 3d96 n PRO 80 N 3.21 2.51 -4.13 3.54 -0.02 -1.26 -0.38 135.00 138.47 3d96 n PRO 80 Ca -0.08 0.90 -0.09 0.00 -2.02 0.00 0.00 63.50 62.21 3d96 n PRO 80 Cb 0.52 -2.65 -0.10 0.00 -0.02 0.00 0.00 33.50 31.24 3d96 n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d96 s LYS 82 N -4.00 4.13 0.15 0.00 2.20 0.79 -1.48 119.74 121.53 3d96 s LYS 82 Ca 0.17 -0.25 0.10 0.00 -0.36 0.00 0.00 55.97 55.64 3d96 s LYS 82 Cb 0.08 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 3d96 s LYS 82 CO -0.03 0.22 -0.24 -1.12 -0.36 0.00 0.00 175.35 173.82 3d96 s SER 83 N 0.58 3.13 -0.09 1.43 0.01 0.22 -0.46 113.70 118.52 3d96 s SER 83 Ca 0.07 -0.78 -0.03 0.00 1.31 0.00 0.00 55.95 56.52 3d96 s SER 83 Cb -0.12 -0.21 0.05 0.00 0.21 0.00 0.00 66.02 65.95 3d96 s SER 83 CO 0.00 0.12 0.17 -0.22 0.41 0.00 0.00 173.24 173.72 3d96 s LEU 84 N -2.26 -0.09 -0.13 2.44 2.96 -0.70 -0.99 118.68 119.91 3d96 s LEU 84 Ca 0.15 0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 54.36 3d96 s LEU 84 Cb -0.09 0.32 -0.04 0.00 0.50 0.00 0.00 46.19 46.88 3d96 s LEU 84 CO 0.07 -0.24 0.08 -0.69 -1.32 0.00 0.00 176.35 174.25 3d96 s VAL 85 N 2.29 5.00 0.03 1.68 1.01 -1.26 -1.98 120.40 127.17 3d96 s VAL 85 Ca 0.03 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.05 3d96 s VAL 85 Cb -0.12 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 3d96 s VAL 85 CO -0.06 0.58 -0.07 -0.54 0.00 0.00 0.00 175.10 175.01 3d96 s LYS 86 N -0.65 0.50 0.15 2.72 1.02 -0.46 -0.70 119.74 122.32 3d96 s LYS 86 Ca 0.12 -0.64 -0.30 0.00 0.02 0.00 0.00 55.97 55.16 3d96 s LYS 86 Cb -0.12 -0.30 -0.07 0.00 -0.52 0.00 0.00 37.83 36.82 3d96 s LYS 86 CO 0.02 0.06 1.22 -1.58 -0.92 0.00 0.00 175.35 174.15 3d96 s TRP 87 N -1.15 3.40 -0.18 3.18 0.52 -1.26 -0.98 118.94 122.48 3d96 s TRP 87 Ca -0.08 1.34 -0.07 0.00 0.02 0.00 0.00 56.10 57.31 3d96 s TRP 87 Cb -0.08 -3.46 -0.22 0.00 -1.15 0.00 0.00 33.47 28.56 3d96 s TRP 87 CO 0.00 -1.36 0.13 -1.91 0.02 0.00 0.00 176.95 173.83 3d96 n GLU 88 N 2.99 0.69 -1.27 4.98 2.13 0.50 -4.92 120.64 125.74 3d96 n GLU 88 Ca 0.06 0.27 0.00 0.00 0.66 0.00 0.00 57.16 58.15 3d96 n GLU 88 Cb 0.45 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.51 3d96 n GLU 88 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3d96 n SER 89 N -3.59 0.00 0.01 4.31 3.41 -1.05 -4.98 113.62 111.72 3d96 n SER 89 Ca -0.38 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.44 3d96 n SER 89 Cb 0.97 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 65.24 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 0.51 -0.41 4.33 4.81 -2.01 -3.08 114.58 118.73 3d96 h GLU 90 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3d96 h GLU 90 Cb 0.00 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3d96 h GLU 90 CO 0.00 0.52 0.00 0.09 -0.73 0.00 0.00 179.01 178.89 3d96 n ASN 91 N -4.30 3.33 -3.80 1.04 5.03 -1.26 -4.83 115.26 110.47 3d96 n ASN 91 Ca 0.02 -2.16 -0.14 0.00 0.87 0.00 0.00 54.58 53.17 3d96 n ASN 91 Cb 0.23 -0.33 -0.15 0.00 -1.02 0.00 0.00 39.78 38.51 3d96 n ASN 91 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3d96 s LYS 92 N -1.30 0.03 0.13 3.52 2.20 -1.17 -1.00 119.74 122.15 3d96 s LYS 92 Ca 0.31 0.18 0.10 0.00 -0.36 0.00 0.00 55.97 56.20 3d96 s LYS 92 Cb 0.18 -0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.34 3d96 s LYS 92 CO 0.18 -0.10 -0.24 0.00 -0.36 0.00 0.00 175.35 174.83 3d96 s MET 93 N 0.68 1.28 -0.03 4.03 0.23 -0.10 -0.37 119.30 125.02 3d96 s MET 93 Ca -0.05 -1.29 0.01 0.00 -1.03 0.00 0.00 55.69 53.33 3d96 s MET 93 Cb -0.08 -1.64 0.01 0.00 -1.53 0.00 0.00 34.83 31.60 3d96 s MET 93 CO -0.02 0.38 -0.06 0.08 -2.03 0.00 0.00 175.02 173.37 3d96 s VAL 94 N -1.22 0.57 -0.14 5.16 1.01 -0.15 -1.74 120.40 123.89 3d96 s VAL 94 Ca 0.11 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.92 3d96 s VAL 94 Cb -0.10 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.73 3d96 s VAL 94 CO 0.06 0.21 -0.19 0.00 0.00 0.00 0.00 175.10 175.18 3d96 s GLU 96 N 0.74 3.50 0.03 0.00 0.41 -0.84 -1.74 118.70 120.81 3d96 s GLU 96 Ca -0.08 -0.07 0.08 0.00 -0.41 0.00 0.00 54.97 54.49 3d96 s GLU 96 Cb -0.16 -3.18 -0.03 0.00 -1.78 0.00 0.00 34.13 28.98 3d96 s GLU 96 CO 0.00 0.76 -0.24 -0.65 -0.49 0.00 0.00 175.26 174.64 3d96 s GLN 97 N -1.13 1.93 -0.06 1.61 -0.21 -1.16 -1.71 119.66 118.93 3d96 s GLN 97 Ca 0.17 -1.04 0.01 0.00 0.02 0.00 0.00 55.36 54.52 3d96 s GLN 97 Cb -0.13 -2.05 0.02 0.00 1.00 0.00 0.00 33.01 31.85 3d96 s GLN 97 CO 0.07 0.53 -0.05 0.15 -2.12 0.00 0.00 175.29 173.87 3d96 s LYS 98 N -1.19 0.95 0.49 2.91 3.01 0.39 -4.59 119.74 121.70 3d96 s LYS 98 Ca 0.12 -0.11 -0.24 0.00 -1.01 0.00 0.00 55.97 54.73 3d96 s LYS 98 Cb -0.10 -0.99 -0.07 0.00 -1.01 0.00 0.00 37.83 35.66 3d96 s LYS 98 CO 0.02 -0.12 1.37 -0.51 0.51 0.00 0.00 175.35 176.62 3d96 s LEU 99 N 1.14 3.99 0.21 3.17 1.43 -1.26 -0.15 118.68 127.21 3d96 s LEU 99 Ca -0.07 2.80 0.02 0.00 -1.03 0.00 0.00 54.13 55.85 3d96 s LEU 99 Cb -0.14 -4.11 0.16 0.00 0.03 0.00 0.00 46.19 42.14 3d96 s LEU 99 CO -0.01 -1.33 1.50 -0.07 0.23 0.00 0.00 176.35 176.67 3d96 h LEU 100 N 1.93 0.33 -7.58 1.79 3.38 -1.69 -3.44 115.31 110.02 3d96 h LEU 100 Ca -0.51 -0.21 -0.25 0.00 0.09 0.00 0.00 57.88 57.01 3d96 h LEU 100 Cb 1.28 -0.10 -0.30 0.00 0.09 0.00 0.00 40.66 41.63 3d96 h LEU 100 CO 0.59 0.90 -0.68 -0.54 0.09 0.00 0.00 178.44 178.81 3d96 s LYS 101 N -3.65 0.03 0.53 1.13 1.02 -1.26 -5.08 119.74 112.46 3d96 s LYS 101 Ca -0.04 0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.11 3d96 s LYS 101 Cb 0.11 -0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.32 3d96 s LYS 101 CO 0.81 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 175.56 3d96 n GLY 102 N 3.64 -1.82 3.25 -3.33 0.00 -1.26 -5.02 105.19 100.66 3d96 n GLY 102 Ca -0.20 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 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 1.18 0.00 1.61 2.02 -1.26 -4.78 118.70 117.47 3d96 s GLU 103 Ca 0.00 -1.59 0.00 0.00 0.02 0.00 0.00 54.97 53.40 3d96 s GLU 103 Cb 0.00 -0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.02 3d96 s GLU 103 CO 0.00 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.50 3d96 n GLY 104 N -0.29 -1.26 3.76 -1.39 0.00 -1.26 -5.10 105.19 99.65 3d96 n GLY 104 Ca -0.04 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 3d96 n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d96 s PRO 105 N -0.83 2.39 0.07 1.61 0.04 -1.26 -4.91 135.00 132.11 3d96 s PRO 105 Ca 0.00 1.35 -0.31 0.00 0.04 0.00 0.00 61.00 62.09 3d96 s PRO 105 Cb 0.00 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 3d96 s PRO 105 CO 0.00 -1.57 1.25 0.21 0.04 0.00 0.00 177.00 176.94 3d96 s LYS 106 N -4.43 4.40 0.12 4.56 2.20 -1.26 -4.92 119.74 120.41 3d96 s LYS 106 Ca 0.65 1.85 0.10 0.00 -0.36 0.00 0.00 55.97 58.21 3d96 s LYS 106 Cb -0.20 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 3d96 s LYS 106 CO 0.49 -0.32 -0.22 0.95 -0.36 0.00 0.00 175.35 175.89 3d96 s THR 107 N 1.16 2.61 0.24 3.43 -4.23 -1.26 -3.17 115.64 114.42 3d96 s THR 107 Ca 0.60 -1.62 -0.21 0.00 -1.18 0.00 0.00 61.69 59.29 3d96 s THR 107 Cb -0.31 -2.19 0.03 0.00 1.34 0.00 0.00 72.50 71.38 3d96 s THR 107 CO 0.29 0.09 0.66 -0.94 -0.54 0.00 0.00 174.62 174.18 3d96 s SER 108 N -2.13 -0.34 0.09 3.99 1.04 -0.93 -2.99 113.70 112.42 3d96 s SER 108 Ca 0.17 -0.43 -0.10 0.00 0.48 0.00 0.00 55.95 56.07 3d96 s SER 108 Cb -0.10 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3d96 s SER 108 CO 0.09 -1.20 0.22 -1.66 0.98 0.00 0.00 173.24 171.66 3d96 s TRP 109 N -3.87 0.10 0.05 5.02 1.48 -0.71 -1.30 118.94 119.71 3d96 s TRP 109 Ca 0.08 -0.49 0.02 0.00 -1.06 0.00 0.00 56.10 54.65 3d96 s TRP 109 Cb -0.04 -0.02 -0.03 0.00 -1.16 0.00 0.00 33.47 32.23 3d96 s TRP 109 CO 0.00 -0.55 -0.08 0.95 -4.06 0.00 0.00 176.95 173.21 3d96 s THR 110 N -3.73 0.59 -0.04 0.66 -4.23 0.16 -0.19 115.64 108.86 3d96 s THR 110 Ca 0.04 -1.26 0.01 0.00 -1.18 0.00 0.00 61.69 59.30 3d96 s THR 110 Cb 0.04 -0.84 0.02 0.00 1.34 0.00 0.00 72.50 73.06 3d96 s THR 110 CO -0.10 -0.48 -0.04 -0.13 -0.54 0.00 0.00 174.62 173.33 3d96 s ARG 111 N -2.03 0.73 0.04 3.99 0.52 -0.71 -1.58 118.95 119.91 3d96 s ARG 111 Ca -0.05 -0.10 0.03 0.00 -0.52 0.00 0.00 55.73 55.08 3d96 s ARG 111 Cb -0.07 -0.75 -0.02 0.00 0.52 0.00 0.00 34.95 34.63 3d96 s ARG 111 CO -0.01 -0.05 -0.09 -2.00 0.02 0.00 0.00 175.30 173.17 3d96 s GLU 112 N 0.76 0.60 -0.22 3.54 2.12 -0.13 -0.92 118.70 124.44 3d96 s GLU 112 Ca -0.10 -0.71 -0.10 0.00 0.36 0.00 0.00 54.97 54.43 3d96 s GLU 112 Cb -0.13 -0.46 -0.05 0.00 0.26 0.00 0.00 34.13 33.75 3d96 s GLU 112 CO 0.00 0.10 0.14 -0.51 -0.54 0.00 0.00 175.26 174.45 3d96 s LEU 113 N -1.34 4.07 0.61 2.70 1.43 -0.17 -0.37 118.68 125.60 3d96 s LEU 113 Ca -0.06 0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 53.11 3d96 s LEU 113 Cb -0.09 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.08 3d96 s LEU 113 CO 0.01 0.10 0.91 0.42 0.23 0.00 0.00 176.35 178.02 3d96 s THR 114 N 0.84 3.28 0.35 5.49 -4.23 -0.23 -4.83 115.64 116.31 3d96 s THR 114 Ca 0.07 -0.12 0.12 0.00 -1.18 0.00 0.00 61.69 60.58 3d96 s THR 114 Cb -0.13 -3.32 0.34 0.00 1.34 0.00 0.00 72.50 70.74 3d96 s THR 114 CO 0.02 -0.32 1.77 0.78 -0.54 0.00 0.00 174.62 176.33 3d96 h ASN 115 N -0.24 0.61 -0.24 3.99 4.21 -2.00 0.69 115.58 122.60 3d96 h ASN 115 Ca -0.45 0.10 0.00 0.00 1.21 0.00 0.00 56.30 57.16 3d96 h ASN 115 Cb 1.27 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.47 3d96 h ASN 115 CO 0.60 0.16 0.00 0.47 -1.29 0.00 0.00 177.43 177.37 3d96 n ASP 116 N -4.73 1.58 -0.43 5.81 9.92 -1.26 -4.92 116.55 122.52 3d96 n ASP 116 Ca 0.25 -1.86 -0.04 0.00 -0.53 0.00 0.00 54.79 52.60 3d96 n ASP 116 Cb 0.73 -0.16 -0.01 0.00 -0.64 0.00 0.00 41.12 41.05 3d96 n ASP 116 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3d96 n GLY 117 N 1.03 0.32 3.90 0.44 0.00 0.24 -5.05 105.19 106.06 3d96 n GLY 117 Ca 0.13 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.77 3.65 -0.21 1.61 2.02 -1.26 -4.44 118.70 116.29 3d96 s GLU 118 Ca 0.00 0.03 -0.06 0.00 0.02 0.00 0.00 54.97 54.96 3d96 s GLU 118 Cb 0.00 -2.65 -0.03 0.00 0.10 0.00 0.00 34.13 31.55 3d96 s GLU 118 CO 0.00 0.23 0.03 -1.17 0.02 0.00 0.00 175.26 174.37 3d96 s LEU 119 N -3.44 3.37 -0.20 1.80 2.96 -0.12 -1.06 118.68 121.98 3d96 s LEU 119 Ca 0.44 -0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 54.14 3d96 s LEU 119 Cb -0.11 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 3d96 s LEU 119 CO 0.29 0.05 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.70 3d96 s ILE 120 N 1.12 3.56 -0.20 6.68 -1.09 0.50 -0.75 121.20 131.03 3d96 s ILE 120 Ca 0.03 -0.44 -0.07 0.00 -2.23 0.00 0.00 60.65 57.94 3d96 s ILE 120 Cb -0.14 -2.60 -0.04 0.00 -1.58 0.00 0.00 42.46 38.09 3d96 s ILE 120 CO 0.02 0.43 0.07 -0.22 -1.23 0.00 0.00 174.94 174.01 3d96 s LEU 121 N 1.19 3.74 0.02 2.97 2.96 0.11 -0.96 118.68 128.71 3d96 s LEU 121 Ca 0.03 0.02 0.08 0.00 -0.22 0.00 0.00 54.13 54.04 3d96 s LEU 121 Cb -0.14 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 3d96 s LEU 121 CO -0.00 0.13 -0.25 0.42 -1.32 0.00 0.00 176.35 175.33 3d96 s THR 122 N 0.65 2.23 -0.06 3.68 -4.23 -0.61 -0.45 115.64 116.84 3d96 s THR 122 Ca 0.03 -1.27 0.02 0.00 -1.18 0.00 0.00 61.69 59.29 3d96 s THR 122 Cb -0.13 -1.85 0.02 0.00 1.34 0.00 0.00 72.50 71.88 3d96 s THR 122 CO 0.02 0.43 -0.09 -0.04 -0.54 0.00 0.00 174.62 174.40 3d96 s MET 123 N -1.07 1.31 -0.02 3.99 -1.94 -0.02 -0.66 119.30 120.88 3d96 s MET 123 Ca 0.12 -0.27 0.08 0.00 -1.71 0.00 0.00 55.69 53.90 3d96 s MET 123 Cb -0.10 -1.17 -0.02 0.00 2.01 0.00 0.00 34.83 35.55 3d96 s MET 123 CO 0.02 -0.03 -0.25 0.99 -0.01 0.00 0.00 175.02 175.73 3d96 s THR 124 N 0.83 2.14 -0.02 2.05 2.01 -0.42 -0.58 115.64 121.64 3d96 s THR 124 Ca -0.12 -1.08 -0.00 0.00 0.31 0.00 0.00 61.69 60.80 3d96 s THR 124 Cb -0.15 -1.74 0.03 0.00 0.01 0.00 0.00 72.50 70.65 3d96 s THR 124 CO 0.02 0.58 0.03 0.00 -0.69 0.00 0.00 174.62 174.56 3d96 s ALA 125 N -0.62 0.11 0.00 7.40 0.00 -0.88 -2.18 121.76 125.58 3d96 s ALA 125 Ca 0.10 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.35 3d96 s ALA 125 Cb -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.73 3d96 s ALA 125 CO -0.01 -0.15 0.00 -0.40 0.00 0.00 0.00 175.76 175.20 3d96 n ASP 126 N 4.30 0.00 -1.15 0.00 5.75 -1.19 -1.21 116.55 123.04 3d96 n ASP 126 Ca -0.25 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.56 3d96 n ASP 126 Cb 0.50 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.85 3d96 n ASP 126 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3d96 n ASP 127 N 6.87 3.81 -4.67 -1.12 2.03 -1.26 -4.95 116.55 117.26 3d96 n ASP 127 Ca 0.00 -3.21 -0.35 0.00 0.52 0.00 0.00 54.79 51.76 3d96 n ASP 127 Cb 0.00 -0.60 -0.09 0.00 -0.72 0.00 0.00 41.12 39.71 3d96 n ASP 127 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3d96 s VAL 128 N -2.94 4.63 -0.12 5.18 1.01 -0.35 -5.09 120.40 122.72 3d96 s VAL 128 Ca 0.45 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.33 3d96 s VAL 128 Cb 0.37 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.75 3d96 s VAL 128 CO 0.08 0.53 -0.11 -0.69 0.00 0.00 0.00 175.10 174.91 3d96 s VAL 129 N -0.22 1.27 -0.14 2.92 1.01 -1.26 -2.07 120.40 121.91 3d96 s VAL 129 Ca 0.07 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 3d96 s VAL 129 Cb -0.12 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 3d96 s VAL 129 CO 0.02 0.40 0.24 0.00 0.00 0.00 0.00 175.10 175.76 3d96 s THR 131 N -0.07 1.53 -0.06 0.00 2.01 -0.69 -0.84 115.64 117.51 3d96 s THR 131 Ca 0.15 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.49 3d96 s THR 131 Cb -0.13 -1.36 -0.00 0.00 0.01 0.00 0.00 72.50 71.03 3d96 s THR 131 CO 0.04 0.44 -0.19 -0.54 -0.69 0.00 0.00 174.62 173.69 3d96 s LYS 132 N 0.57 2.10 -0.09 4.92 1.02 0.40 -0.82 119.74 127.84 3d96 s LYS 132 Ca -0.15 -0.66 0.04 0.00 0.02 0.00 0.00 55.97 55.21 3d96 s LYS 132 Cb -0.17 -1.74 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 3d96 s LYS 132 CO 0.05 0.21 -0.21 0.08 -0.92 0.00 0.00 175.35 174.56 3d96 s VAL 133 N 0.19 1.79 0.17 3.17 1.01 -0.58 0.04 120.40 126.19 3d96 s VAL 133 Ca -0.09 -0.86 0.10 0.00 0.00 0.00 0.00 61.98 61.13 3d96 s VAL 133 Cb -0.14 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 3d96 s VAL 133 CO 0.04 0.50 -0.23 -0.36 0.00 0.00 0.00 175.10 175.05 3d96 s PHE 134 N 0.41 2.14 0.17 5.22 0.08 0.08 -0.17 117.98 125.91 3d96 s PHE 134 Ca -0.17 -0.39 0.11 0.00 0.12 0.00 0.00 56.93 56.60 3d96 s PHE 134 Cb -0.17 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.16 3d96 s PHE 134 CO 0.07 0.42 -0.24 0.54 -0.10 0.00 0.00 175.22 175.91 3d96 s VAL 135 N -1.67 2.36 -0.15 -0.44 0.11 -0.34 -0.95 120.40 119.33 3d96 s VAL 135 Ca 0.18 -1.92 -0.24 0.00 -2.93 0.00 0.00 61.98 57.06 3d96 s VAL 135 Cb -0.08 -2.10 -0.02 0.00 -1.53 0.00 0.00 36.38 32.65 3d96 s VAL 135 CO 0.08 -0.04 0.78 -0.60 -3.33 0.00 0.00 175.10 171.99 3d96 s ARG 136 N -2.46 4.32 0.00 1.54 3.52 -1.26 -0.52 118.95 124.08 3d96 s ARG 136 Ca 0.19 0.95 0.28 0.00 -0.13 0.00 0.00 55.73 57.01 3d96 s ARG 136 Cb -0.09 -3.55 1.67 0.00 -1.56 0.00 0.00 34.95 31.43 3d96 s ARG 136 CO 0.09 -0.24 2.02 -0.85 -0.81 0.00 0.00 175.30 175.51