#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g78 s ASN 2 N 0.00 4.71 0.00 3.54 -0.87 -1.26 -4.94 114.94 116.11 2g78 s ASN 2 Ca 0.00 -3.24 0.24 0.00 -1.57 0.00 0.00 52.86 48.29 2g78 s ASN 2 Cb 0.00 -1.70 1.08 0.00 -0.02 0.00 0.00 41.25 40.62 2g78 s ASN 2 CO 0.00 -0.22 1.79 0.49 -2.57 0.00 0.00 177.10 176.59 2g78 n PHE 3 N 2.84 0.00 -1.73 2.20 3.01 -1.26 -4.88 117.46 117.63 2g78 n PHE 3 Ca 0.10 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.14 2g78 n PHE 3 Cb 0.34 -0.45 -0.01 0.00 -0.01 0.00 0.00 39.48 39.35 2g78 n PHE 3 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2g78 n SER 4 N -1.45 3.54 0.00 4.37 7.64 -1.26 -4.70 113.62 121.76 2g78 n SER 4 Ca 0.07 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.12 2g78 n SER 4 Cb 0.26 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 61.90 2g78 n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2g78 n GLY 5 N 1.62 1.89 3.46 0.23 0.00 -0.13 -4.97 105.19 107.29 2g78 n GLY 5 Ca 0.07 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 2g78 n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2g78 s ASN 6 N 0.00 6.09 -0.14 1.61 0.01 -1.26 -0.92 114.94 120.33 2g78 s ASN 6 Ca 0.00 -0.86 -0.07 0.00 -0.71 0.00 0.00 52.86 51.21 2g78 s ASN 6 Cb 0.00 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.47 2g78 s ASN 6 CO 0.00 -0.43 0.12 0.26 -1.51 0.00 0.00 177.10 175.55 2g78 s TRP 7 N 1.68 3.50 -0.12 2.20 0.52 0.94 -0.64 118.94 127.02 2g78 s TRP 7 Ca 0.05 0.43 0.00 0.00 0.02 0.00 0.00 56.10 56.60 2g78 s TRP 7 Cb -0.19 -1.99 -0.01 0.00 -1.15 0.00 0.00 33.47 30.13 2g78 s TRP 7 CO 0.10 0.58 -0.14 0.21 0.02 0.00 0.00 176.95 177.72 2g78 s LYS 8 N -0.60 3.33 0.25 4.98 2.20 0.73 -3.20 119.74 127.43 2g78 s LYS 8 Ca 0.12 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 54.74 2g78 s LYS 8 Cb -0.12 -2.60 -0.09 0.00 -1.51 0.00 0.00 37.83 33.51 2g78 s LYS 8 CO 0.02 0.23 1.25 -1.50 -0.36 0.00 0.00 175.35 174.99 2g78 s ILE 9 N 0.30 3.19 0.00 5.43 2.07 -1.26 -1.33 121.20 129.60 2g78 s ILE 9 Ca -0.11 1.07 0.00 0.00 -1.41 0.00 0.00 60.65 60.21 2g78 s ILE 9 Cb -0.16 -3.68 0.00 0.00 0.13 0.00 0.00 42.46 38.75 2g78 s ILE 9 CO 0.06 0.20 0.00 2.30 -1.91 0.00 0.00 174.94 175.59 2g78 n ILE 10 N 1.88 0.00 -3.69 2.00 -5.35 0.64 -4.92 119.36 109.92 2g78 n ILE 10 Ca 0.03 -0.32 -0.14 0.00 -0.27 0.00 0.00 62.75 62.05 2g78 n ILE 10 Cb 0.43 0.86 -0.09 0.00 -1.74 0.00 0.00 39.64 39.10 2g78 n ILE 10 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2g78 s ARG 11 N -1.07 0.64 -0.03 6.28 3.52 -1.05 -4.96 118.95 122.29 2g78 s ARG 11 Ca 0.00 0.52 -0.01 0.00 -0.13 0.00 0.00 55.73 56.11 2g78 s ARG 11 Cb 0.00 0.31 0.03 0.00 -1.56 0.00 0.00 34.95 33.73 2g78 s ARG 11 CO 0.00 -0.11 0.06 0.45 -0.81 0.00 0.00 175.30 174.89 2g78 s SER 12 N -0.12 0.01 -0.03 -2.12 0.15 -1.26 -1.13 113.70 109.20 2g78 s SER 12 Ca -0.03 0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.75 2g78 s SER 12 Cb -0.03 0.02 0.01 0.00 -1.71 0.00 0.00 66.02 64.30 2g78 s SER 12 CO 0.02 -0.11 -0.08 -1.61 1.20 0.00 0.00 173.24 172.66 2g78 s GLU 13 N 0.90 0.95 -0.33 5.44 0.41 0.05 -4.89 118.70 121.23 2g78 s GLU 13 Ca -0.07 -0.28 0.00 0.00 -0.41 0.00 0.00 54.97 54.21 2g78 s GLU 13 Cb -0.10 -0.89 0.00 0.00 -1.78 0.00 0.00 34.13 31.36 2g78 s GLU 13 CO -0.03 0.08 0.00 -1.71 -0.49 0.00 0.00 175.26 173.11 2g78 n ASN 14 N 3.40 -3.80 -0.18 -0.19 5.15 -1.26 -1.93 115.26 116.44 2g78 n ASN 14 Ca -0.19 0.08 -0.10 0.00 -0.60 0.00 0.00 54.58 53.77 2g78 n ASN 14 Cb 0.54 -1.57 0.01 0.00 -0.53 0.00 0.00 39.78 38.22 2g78 n ASN 14 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 2g78 h PHE 15 N 0.00 0.99 -0.62 1.20 3.57 -1.90 -0.84 116.94 119.34 2g78 h PHE 15 Ca -0.06 -0.17 -0.09 0.00 3.53 0.00 0.00 57.97 61.17 2g78 h PHE 15 Cb 0.35 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 2g78 h PHE 15 CO 0.18 0.92 0.04 1.49 -2.23 0.00 0.00 178.31 178.71 2g78 h GLU 16 N 0.78 1.07 -0.29 1.11 4.81 -1.96 -1.62 114.58 118.48 2g78 h GLU 16 Ca 0.14 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 59.00 2g78 h GLU 16 Cb 0.53 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 2g78 h GLU 16 CO 0.03 1.02 -0.04 1.49 -0.73 0.00 0.00 179.01 180.78 2g78 h GLU 17 N 0.97 0.44 -0.17 1.92 4.57 -1.91 -0.17 114.58 120.24 2g78 h GLU 17 Ca 0.18 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2g78 h GLU 17 Cb 0.52 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 2g78 h GLU 17 CO 0.02 0.50 0.09 1.25 -1.18 0.00 0.00 179.01 179.70 2g78 h LEU 18 N 0.43 0.21 -1.52 1.64 5.85 -0.58 -2.20 115.31 119.13 2g78 h LEU 18 Ca 0.09 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 2g78 h LEU 18 Cb 0.34 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2g78 h LEU 18 CO 0.01 0.23 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.03 2g78 h LEU 19 N 0.17 0.00 -0.04 2.25 3.38 -0.41 -2.34 115.31 118.32 2g78 h LEU 19 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2g78 h LEU 19 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2g78 h LEU 19 CO -0.01 0.25 0.02 0.11 0.09 0.00 0.00 178.44 178.90 2g78 h LYS 20 N 0.00 0.05 -0.70 1.13 1.79 -0.75 -0.95 116.57 117.14 2g78 h LYS 20 Ca -0.00 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.50 2g78 h LYS 20 Cb 0.45 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.05 2g78 h LYS 20 CO 0.03 0.11 0.46 0.28 -1.08 0.00 0.00 179.45 179.25 2g78 h VAL 21 N -0.02 1.08 0.00 0.50 2.07 -1.15 -0.36 116.25 118.37 2g78 h VAL 21 Ca 0.01 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2g78 h VAL 21 Cb 0.08 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2g78 h VAL 21 CO -0.00 0.15 0.00 0.18 0.02 0.00 0.00 177.57 177.92 2g78 n LEU 22 N -4.46 0.00 0.00 2.57 4.77 -0.90 -4.86 117.00 114.11 2g78 n LEU 22 Ca 0.09 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2g78 n LEU 22 Cb 0.16 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2g78 n LEU 22 CO 0.34 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2g78 n GLY 23 N 1.02 0.42 3.72 -0.72 0.00 -0.14 -5.04 105.19 104.45 2g78 n GLY 23 Ca 0.20 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 2g78 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g78 s VAL 24 N -2.00 4.25 0.85 1.61 1.01 -0.42 -5.02 120.40 120.69 2g78 s VAL 24 Ca 0.00 1.73 -0.12 0.00 0.00 0.00 0.00 61.98 63.59 2g78 s VAL 24 Cb 0.00 -4.11 0.10 0.00 0.00 0.00 0.00 36.38 32.37 2g78 s VAL 24 CO 0.00 0.20 1.12 0.54 0.00 0.00 0.00 175.10 176.95 2g78 s ASN 25 N 0.59 4.07 0.16 3.32 2.20 -1.26 -4.55 114.94 119.47 2g78 s ASN 25 Ca 0.53 1.14 -0.16 0.00 -0.94 0.00 0.00 52.86 53.43 2g78 s ASN 25 Cb -0.27 -1.80 0.04 0.00 -2.00 0.00 0.00 41.25 37.23 2g78 s ASN 25 CO 0.31 -2.22 1.80 0.58 -2.94 0.00 0.00 177.10 174.62 2g78 h VAL 26 N -1.26 1.03 -0.23 3.54 2.07 -1.99 -0.13 116.25 119.29 2g78 h VAL 26 Ca -0.49 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 66.75 2g78 h VAL 26 Cb 1.30 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2g78 h VAL 26 CO 0.61 0.09 -0.38 0.24 0.02 0.00 0.00 177.57 178.15 2g78 h MET 27 N 0.47 0.51 -0.36 1.57 2.86 -2.00 -0.63 114.93 117.35 2g78 h MET 27 Ca 0.16 -0.24 -0.08 0.00 -2.06 0.00 0.00 59.70 57.48 2g78 h MET 27 Cb 0.02 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2g78 h MET 27 CO -0.08 0.81 -0.07 -0.07 1.06 0.00 0.00 176.91 178.56 2g78 h LEU 28 N 0.43 0.69 -0.50 1.22 3.38 -1.84 -2.47 115.31 116.22 2g78 h LEU 28 Ca 0.04 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 57.73 2g78 h LEU 28 Cb 0.85 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 2g78 h LEU 28 CO 0.07 0.88 0.15 0.03 0.09 0.00 0.00 178.44 179.66 2g78 h ARG 29 N 0.49 0.30 -0.42 1.13 3.08 -0.80 -0.02 114.38 118.13 2g78 h ARG 29 Ca 0.09 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.20 2g78 h ARG 29 Cb 0.57 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.49 2g78 h ARG 29 CO 0.03 0.20 0.03 0.87 -1.07 0.00 0.00 179.97 180.03 2g78 h LYS 30 N 0.30 0.14 -0.33 0.04 1.79 -0.94 0.12 116.57 117.69 2g78 h LYS 30 Ca 0.24 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.75 2g78 h LYS 30 Cb 0.29 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.87 2g78 h LYS 30 CO -0.28 0.09 0.08 0.82 -1.08 0.00 0.00 179.45 179.08 2g78 h ILE 31 N 0.14 0.85 -0.21 1.86 2.04 -0.97 -2.26 117.51 118.97 2g78 h ILE 31 Ca 0.21 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.93 2g78 h ILE 31 Cb 0.29 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2g78 h ILE 31 CO -0.32 0.04 -0.13 0.00 0.00 0.00 0.00 178.15 177.73 2g78 h ALA 32 N 1.24 0.29 -0.49 1.87 0.00 -0.41 -2.28 119.26 119.49 2g78 h ALA 32 Ca 0.15 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2g78 h ALA 32 Cb 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2g78 h ALA 32 CO -0.19 0.16 0.03 0.28 0.00 0.00 0.00 179.25 179.52 2g78 h VAL 33 N 0.14 1.26 -0.25 0.00 2.07 -0.76 0.20 116.25 118.91 2g78 h VAL 33 Ca 0.04 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.55 2g78 h VAL 33 Cb 0.64 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2g78 h VAL 33 CO 0.04 0.36 0.15 0.00 0.02 0.00 0.00 177.57 178.13 2g78 h ALA 34 N 0.94 0.31 -0.32 1.67 0.00 -1.35 -2.57 119.26 117.94 2g78 h ALA 34 Ca 0.14 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 2g78 h ALA 34 Cb 0.47 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2g78 h ALA 34 CO 0.02 -0.24 -0.37 0.00 0.00 0.00 0.00 179.25 178.66 2g78 h ALA 35 N 1.11 0.73 0.00 0.00 0.00 -1.07 -2.59 119.26 117.44 2g78 h ALA 35 Ca 0.10 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2g78 h ALA 35 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2g78 h ALA 35 CO -0.04 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.87 2g78 n ALA 36 N -2.52 1.76 0.25 0.00 0.00 0.67 -2.92 120.51 117.75 2g78 n ALA 36 Ca -0.02 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.54 2g78 n ALA 36 Cb 0.52 -1.31 0.65 0.00 0.00 0.00 0.00 19.45 19.30 2g78 n ALA 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2g78 h SER 37 N 0.00 0.00 -2.09 0.00 4.64 -1.05 -3.32 113.55 111.73 2g78 h SER 37 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 2g78 h SER 37 Cb 0.33 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.02 2g78 h SER 37 CO 0.00 0.13 -0.99 0.29 -0.87 0.00 0.00 176.83 175.39 2g78 n LYS 38 N -3.41 1.01 -2.44 4.77 4.01 -1.15 -4.97 118.16 115.99 2g78 n LYS 38 Ca -0.01 -3.51 -0.27 0.00 -0.51 0.00 0.00 58.31 54.02 2g78 n LYS 38 Cb 0.31 -1.47 0.03 0.00 -0.51 0.00 0.00 35.03 33.40 2g78 n LYS 38 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2g78 s PRO 39 N -1.31 3.02 -0.10 1.97 0.04 -1.25 -4.87 135.00 132.51 2g78 s PRO 39 Ca 0.35 0.01 -0.01 0.00 0.04 0.00 0.00 61.00 61.40 2g78 s PRO 39 Cb 0.15 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2g78 s PRO 39 CO -0.10 -0.61 -0.05 0.00 0.04 0.00 0.00 177.00 176.27 2g78 s ALA 40 N -2.94 3.01 -0.12 8.56 0.00 -0.44 -4.61 121.76 125.21 2g78 s ALA 40 Ca 0.53 -0.86 -0.00 0.00 0.00 0.00 0.00 51.96 51.62 2g78 s ALA 40 Cb -0.10 -1.35 0.03 0.00 0.00 0.00 0.00 23.12 21.69 2g78 s ALA 40 CO 0.45 0.47 -0.07 0.08 0.00 0.00 0.00 175.76 176.69 2g78 s VAL 41 N -0.46 1.03 -0.16 0.00 1.01 -1.19 -0.72 120.40 119.91 2g78 s VAL 41 Ca 0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 2g78 s VAL 41 Cb -0.12 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 2g78 s VAL 41 CO 0.02 0.31 -0.13 -0.70 0.00 0.00 0.00 175.10 174.60 2g78 s GLU 42 N 1.70 3.31 -0.07 2.72 2.12 0.06 -0.04 118.70 128.50 2g78 s GLU 42 Ca 0.04 -0.70 0.03 0.00 0.36 0.00 0.00 54.97 54.70 2g78 s GLU 42 Cb -0.13 -2.69 0.01 0.00 0.26 0.00 0.00 34.13 31.57 2g78 s GLU 42 CO -0.08 0.06 -0.17 0.42 -0.54 0.00 0.00 175.26 174.96 2g78 s ILE 43 N 0.74 1.46 -0.14 -3.70 1.01 -0.09 -0.81 121.20 119.66 2g78 s ILE 43 Ca -0.06 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.94 2g78 s ILE 43 Cb -0.15 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.03 2g78 s ILE 43 CO 0.01 0.43 -0.20 -0.54 0.00 0.00 0.00 174.94 174.64 2g78 s LYS 44 N 0.48 3.08 -0.06 2.79 1.02 -0.07 -0.96 119.74 126.03 2g78 s LYS 44 Ca -0.15 -0.82 0.05 0.00 0.02 0.00 0.00 55.97 55.07 2g78 s LYS 44 Cb -0.16 -2.49 -0.01 0.00 -0.52 0.00 0.00 37.83 34.65 2g78 s LYS 44 CO 0.05 0.00 -0.22 -1.14 -0.92 0.00 0.00 175.35 173.12 2g78 s GLN 45 N 0.80 2.36 -0.31 1.68 0.74 -1.26 -0.51 119.66 123.15 2g78 s GLN 45 Ca -0.07 -0.80 -0.01 0.00 0.05 0.00 0.00 55.36 54.53 2g78 s GLN 45 Cb -0.16 -1.97 0.10 0.00 1.10 0.00 0.00 33.01 32.09 2g78 s GLN 45 CO -0.01 0.30 0.11 -1.21 -0.55 0.00 0.00 175.29 173.93 2g78 s GLU 46 N -0.01 0.64 6.94 1.67 2.02 0.31 -4.87 118.70 125.40 2g78 s GLU 46 Ca -0.06 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 53.90 2g78 s GLU 46 Cb -0.14 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.26 2g78 s GLU 46 CO 0.04 -1.01 0.00 0.41 0.02 0.00 0.00 175.26 174.72 2g78 n GLY 47 N 4.83 1.83 1.25 -1.39 0.00 -1.26 -1.64 105.19 108.81 2g78 n GLY 47 Ca -0.02 -0.42 0.09 0.00 0.00 0.00 0.00 46.02 45.67 2g78 n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2g78 n ASP 48 N 6.28 3.65 -4.72 1.61 10.43 -1.26 -4.88 116.55 127.66 2g78 n ASP 48 Ca 0.00 -2.18 -0.35 0.00 2.57 0.00 0.00 54.79 54.83 2g78 n ASP 48 Cb 0.00 -0.47 -0.08 0.00 1.84 0.00 0.00 41.12 42.41 2g78 n ASP 48 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2g78 s THR 49 N -1.49 5.28 0.04 -3.53 2.01 -0.65 -0.88 115.64 116.42 2g78 s THR 49 Ca 0.42 0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.62 2g78 s THR 49 Cb 0.24 -3.39 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 2g78 s THR 49 CO 0.24 0.46 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.11 2g78 s PHE 50 N 0.22 1.47 -0.09 4.92 0.40 -0.01 -0.53 117.98 124.37 2g78 s PHE 50 Ca 0.08 -0.36 0.04 0.00 -0.60 0.00 0.00 56.93 56.09 2g78 s PHE 50 Cb -0.11 -0.88 0.00 0.00 0.51 0.00 0.00 43.02 42.54 2g78 s PHE 50 CO -0.01 0.06 -0.22 -0.47 0.70 0.00 0.00 175.22 175.28 2g78 s TYR 51 N -0.80 2.33 -0.08 0.36 5.04 0.33 -1.67 117.35 122.85 2g78 s TYR 51 Ca 0.04 -0.91 -0.01 0.00 -2.44 0.00 0.00 57.07 53.75 2g78 s TYR 51 Cb -0.08 -1.57 0.03 0.00 0.35 0.00 0.00 41.96 40.69 2g78 s TYR 51 CO 0.01 -0.37 -0.01 0.42 -1.34 0.00 0.00 175.55 174.27 2g78 s ILE 52 N 0.34 0.48 -0.18 3.14 1.01 -0.28 -0.89 121.20 124.83 2g78 s ILE 52 Ca -0.16 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 2g78 s ILE 52 Cb -0.17 -0.64 -0.00 0.00 0.01 0.00 0.00 42.46 41.66 2g78 s ILE 52 CO 0.07 0.26 -0.11 -0.75 0.00 0.00 0.00 174.94 174.41 2g78 s LYS 53 N 1.93 3.30 -0.19 2.79 2.20 0.01 -1.28 119.74 128.50 2g78 s LYS 53 Ca 0.05 -0.69 0.01 0.00 -0.36 0.00 0.00 55.97 54.98 2g78 s LYS 53 Cb -0.12 -2.79 0.03 0.00 -1.51 0.00 0.00 37.83 33.44 2g78 s LYS 53 CO -0.06 -0.06 -0.16 0.99 -0.36 0.00 0.00 175.35 175.71 2g78 s THR 54 N 1.05 1.88 -0.08 3.43 2.01 0.07 -0.76 115.64 123.24 2g78 s THR 54 Ca -0.00 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 61.07 2g78 s THR 54 Cb -0.15 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.55 2g78 s THR 54 CO -0.02 0.37 -0.21 -0.44 -0.69 0.00 0.00 174.62 173.63 2g78 s SER 55 N 1.33 3.37 0.21 3.53 0.01 0.10 -1.41 113.70 120.84 2g78 s SER 55 Ca 0.02 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.84 2g78 s SER 55 Cb -0.14 -1.09 -0.05 0.00 0.21 0.00 0.00 66.02 64.95 2g78 s SER 55 CO -0.10 0.23 0.07 0.42 0.41 0.00 0.00 173.24 174.26 2g78 s THR 56 N -0.05 0.44 0.01 1.44 -4.23 -0.47 -1.33 115.64 111.44 2g78 s THR 56 Ca -0.06 -1.98 0.30 0.00 -1.18 0.00 0.00 61.69 58.77 2g78 s THR 56 Cb -0.14 -2.39 0.32 0.00 1.34 0.00 0.00 72.50 71.62 2g78 s THR 56 CO 0.05 -0.19 1.92 0.71 -0.54 0.00 0.00 174.62 176.56 2g78 h THR 57 N 2.57 0.00 0.00 3.99 1.35 -1.90 -3.16 112.91 115.76 2g78 h THR 57 Ca -0.37 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 2g78 h THR 57 Cb 1.23 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2g78 h THR 57 CO 0.60 0.00 -0.44 1.33 -0.25 0.00 0.00 175.52 176.76 2g78 n VAL 58 N -2.64 0.00 -3.64 6.82 0.24 -1.26 -5.03 118.33 112.82 2g78 n VAL 58 Ca -0.00 -0.31 -0.05 0.00 -2.04 0.00 0.00 64.34 61.94 2g78 n VAL 58 Cb 0.15 0.95 -0.07 0.00 -1.47 0.00 0.00 33.84 33.40 2g78 n VAL 58 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2g78 s ARG 59 N -1.79 0.40 -0.00 7.34 3.52 -1.19 -5.15 118.95 122.07 2g78 s ARG 59 Ca 0.02 0.59 0.04 0.00 -0.13 0.00 0.00 55.73 56.26 2g78 s ARG 59 Cb 0.06 0.13 -0.01 0.00 -1.56 0.00 0.00 34.95 33.57 2g78 s ARG 59 CO 0.32 -0.07 -0.14 0.99 -0.81 0.00 0.00 175.30 175.59 2g78 s THR 60 N 0.85 1.09 0.01 4.11 2.01 -1.26 -1.37 115.64 121.08 2g78 s THR 60 Ca -0.04 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.36 2g78 s THR 60 Cb -0.04 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 2g78 s THR 60 CO -0.12 0.26 -0.13 0.42 -0.69 0.00 0.00 174.62 174.37 2g78 s THR 61 N -0.40 1.02 -0.10 -0.82 -4.23 -0.50 -5.00 115.64 105.61 2g78 s THR 61 Ca 0.05 -0.75 0.01 0.00 -1.18 0.00 0.00 61.69 59.81 2g78 s THR 61 Cb -0.06 -0.89 0.02 0.00 1.34 0.00 0.00 72.50 72.91 2g78 s THR 61 CO -0.00 0.14 -0.10 -1.61 -0.54 0.00 0.00 174.62 172.51 2g78 s GLU 62 N -0.70 1.65 0.06 3.99 2.02 -1.26 -0.75 118.70 123.71 2g78 s GLU 62 Ca 0.03 -0.33 0.08 0.00 0.02 0.00 0.00 54.97 54.77 2g78 s GLU 62 Cb -0.06 -1.56 -0.03 0.00 0.10 0.00 0.00 34.13 32.57 2g78 s GLU 62 CO 0.00 -0.16 -0.23 0.96 0.02 0.00 0.00 175.26 175.85 2g78 s ILE 63 N 1.33 1.86 -0.09 -1.63 -4.36 -0.40 -5.00 121.20 112.92 2g78 s ILE 63 Ca -0.02 -1.36 0.02 0.00 -0.26 0.00 0.00 60.65 59.03 2g78 s ILE 63 Cb -0.14 -1.63 0.01 0.00 1.25 0.00 0.00 42.46 41.96 2g78 s ILE 63 CO -0.04 0.20 -0.13 0.20 0.24 0.00 0.00 174.94 175.40 2g78 s ASN 64 N -1.40 2.10 0.10 4.36 0.01 -1.26 -1.12 114.94 117.73 2g78 s ASN 64 Ca 0.09 -0.35 -0.17 0.00 -0.71 0.00 0.00 52.86 51.72 2g78 s ASN 64 Cb -0.09 -0.94 0.04 0.00 0.41 0.00 0.00 41.25 40.66 2g78 s ASN 64 CO 0.03 0.02 0.41 0.72 -1.51 0.00 0.00 177.10 176.77 2g78 s PHE 65 N 0.86 -0.24 -0.10 2.20 -0.12 -0.67 -4.95 117.98 114.96 2g78 s PHE 65 Ca -0.10 0.02 0.01 0.00 -0.05 0.00 0.00 56.93 56.80 2g78 s PHE 65 Cb -0.15 0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.48 2g78 s PHE 65 CO 0.01 -0.67 -0.12 0.15 -0.05 0.00 0.00 175.22 174.55 2g78 s LYS 66 N -3.39 3.03 0.22 1.99 1.02 -1.26 -0.83 119.74 120.52 2g78 s LYS 66 Ca 0.00 -0.65 -0.32 0.00 0.02 0.00 0.00 55.97 55.02 2g78 s LYS 66 Cb 0.01 -2.57 -0.13 0.00 -0.52 0.00 0.00 37.83 34.62 2g78 s LYS 66 CO -0.09 0.42 1.59 0.28 -0.92 0.00 0.00 175.35 176.63 2g78 n VAL 67 N 2.93 0.41 -0.63 3.17 0.31 -0.06 -1.98 118.33 122.49 2g78 n VAL 67 Ca -0.18 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 2g78 n VAL 67 Cb 0.53 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 2g78 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2g78 n GLY 68 N 3.05 0.85 3.14 2.92 0.00 0.52 -5.01 105.19 110.65 2g78 n GLY 68 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2g78 n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g78 s GLU 69 N -0.35 2.66 0.50 1.61 2.02 -0.84 -5.00 118.70 119.30 2g78 s GLU 69 Ca 0.00 -0.73 -0.24 0.00 0.02 0.00 0.00 54.97 54.02 2g78 s GLU 69 Cb 0.00 -2.14 -0.07 0.00 0.10 0.00 0.00 34.13 32.03 2g78 s GLU 69 CO 0.00 0.02 1.41 -2.00 0.02 0.00 0.00 175.26 174.71 2g78 s GLU 70 N 0.73 3.40 0.28 1.61 2.12 -1.26 -4.55 118.70 121.03 2g78 s GLU 70 Ca -0.11 2.36 -0.04 0.00 0.36 0.00 0.00 54.97 57.54 2g78 s GLU 70 Cb -0.16 -2.46 -0.01 0.00 0.26 0.00 0.00 34.13 31.76 2g78 s GLU 70 CO 0.02 -1.03 0.38 -0.59 -0.54 0.00 0.00 175.26 173.50 2g78 s PHE 71 N -1.24 0.94 -0.12 5.30 -0.71 -0.14 -4.98 117.98 117.02 2g78 s PHE 71 Ca 0.66 -1.18 -0.01 0.00 -1.04 0.00 0.00 56.93 55.37 2g78 s PHE 71 Cb -0.43 -0.16 -0.02 0.00 -1.21 0.00 0.00 43.02 41.20 2g78 s PHE 71 CO 0.53 -0.96 -0.09 -2.00 -1.34 0.00 0.00 175.22 171.36 2g78 s GLU 72 N -3.61 3.26 0.00 1.99 2.12 -1.26 -0.06 118.70 121.13 2g78 s GLU 72 Ca 0.31 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 55.03 2g78 s GLU 72 Cb 0.01 -2.69 0.00 0.00 0.26 0.00 0.00 34.13 31.72 2g78 s GLU 72 CO 0.16 0.36 0.00 -0.85 -0.54 0.00 0.00 175.26 174.39 2g78 n GLU 73 N 3.13 0.00 -4.21 4.30 0.28 -0.43 -4.96 120.64 118.75 2g78 n GLU 73 Ca -0.18 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.64 2g78 n GLU 73 Cb 0.53 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.28 2g78 n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 2g78 s GLN 74 N 1.65 0.93 1.17 3.44 -0.21 -1.26 -1.17 119.66 124.20 2g78 s GLN 74 Ca 0.00 -1.10 -0.13 0.00 0.02 0.00 0.00 55.36 54.16 2g78 s GLN 74 Cb 0.00 -0.89 0.28 0.00 1.00 0.00 0.00 33.01 33.40 2g78 s GLN 74 CO 0.00 0.19 1.03 0.95 -2.12 0.00 0.00 175.29 175.34 2g78 s THR 75 N -1.66 2.01 0.41 -0.19 -4.23 0.26 -4.86 115.64 107.37 2g78 s THR 75 Ca 0.03 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.67 2g78 s THR 75 Cb -0.08 -2.10 0.15 0.00 1.34 0.00 0.00 72.50 71.82 2g78 s THR 75 CO 0.03 -0.00 1.92 0.58 -0.54 0.00 0.00 174.62 176.60 2g78 h VAL 76 N -2.61 1.18 -0.32 2.29 2.07 -1.99 0.21 116.25 117.07 2g78 h VAL 76 Ca -0.62 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.05 2g78 h VAL 76 Cb 1.34 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2g78 h VAL 76 CO 0.51 0.25 0.00 -0.90 0.02 0.00 0.00 177.57 177.45 2g78 n ASP 77 N -4.25 1.83 0.00 0.57 5.75 -1.26 -4.92 116.55 114.26 2g78 n ASP 77 Ca -0.02 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 2g78 n ASP 77 Cb 0.30 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 2g78 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2g78 n GLY 78 N 0.97 0.91 3.73 6.12 0.00 0.06 -5.07 105.19 111.91 2g78 n GLY 78 Ca 0.11 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 2g78 n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2g78 s ARG 79 N -0.81 4.37 0.32 1.61 0.52 -1.26 -4.77 118.95 118.93 2g78 s ARG 79 Ca 0.00 0.70 -0.28 0.00 -0.52 0.00 0.00 55.73 55.62 2g78 s ARG 79 Cb 0.00 -3.41 -0.13 0.00 0.52 0.00 0.00 34.95 31.93 2g78 s ARG 79 CO 0.00 0.19 1.22 -2.30 0.02 0.00 0.00 175.30 174.43 2g78 n PRO 80 N 3.42 1.92 -3.76 3.54 -0.02 -1.26 -0.58 135.00 138.25 2g78 n PRO 80 Ca -0.05 0.67 -0.10 0.00 -2.02 0.00 0.00 63.50 62.00 2g78 n PRO 80 Cb 0.51 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 2g78 n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2g78 s LYS 82 N -3.44 4.04 0.15 0.00 -0.14 0.22 -1.31 119.74 119.26 2g78 s LYS 82 Ca 0.01 0.21 0.10 0.00 -1.36 0.00 0.00 55.97 54.93 2g78 s LYS 82 Cb 0.02 -3.32 -0.04 0.00 -1.68 0.00 0.00 37.83 32.81 2g78 s LYS 82 CO -0.09 0.46 -0.22 -1.12 -0.76 0.00 0.00 175.35 173.62 2g78 s SER 83 N -0.24 2.95 -0.06 2.83 0.01 0.91 -0.37 113.70 119.74 2g78 s SER 83 Ca 0.20 -0.79 -0.02 0.00 1.31 0.00 0.00 55.95 56.64 2g78 s SER 83 Cb -0.14 -0.19 0.04 0.00 0.21 0.00 0.00 66.02 65.93 2g78 s SER 83 CO 0.08 0.07 0.10 -0.22 0.41 0.00 0.00 173.24 173.68 2g78 s LEU 84 N -2.33 0.06 -0.07 2.44 2.96 -0.71 -0.97 118.68 120.06 2g78 s LEU 84 Ca 0.14 0.17 -0.13 0.00 -0.22 0.00 0.00 54.13 54.09 2g78 s LEU 84 Cb -0.08 0.01 -0.05 0.00 0.50 0.00 0.00 46.19 46.56 2g78 s LEU 84 CO 0.07 -0.25 0.31 -0.69 -1.32 0.00 0.00 176.35 174.47 2g78 s VAL 85 N 2.21 5.22 0.10 1.68 1.01 -1.26 -1.61 120.40 127.75 2g78 s VAL 85 Ca 0.04 0.61 0.04 0.00 0.00 0.00 0.00 61.98 62.67 2g78 s VAL 85 Cb -0.12 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2g78 s VAL 85 CO -0.04 0.54 -0.11 -0.54 0.00 0.00 0.00 175.10 174.96 2g78 s LYS 86 N -0.67 0.87 -0.42 2.72 1.02 0.15 -0.35 119.74 123.06 2g78 s LYS 86 Ca 0.20 -1.18 -0.29 0.00 0.02 0.00 0.00 55.97 54.72 2g78 s LYS 86 Cb -0.15 -0.58 0.01 0.00 -0.52 0.00 0.00 37.83 36.59 2g78 s LYS 86 CO 0.09 0.09 1.44 -1.58 -0.92 0.00 0.00 175.35 174.47 2g78 s TRP 87 N -2.44 2.34 0.13 3.18 0.52 -1.26 -0.53 118.94 120.88 2g78 s TRP 87 Ca 0.06 0.66 -0.12 0.00 0.02 0.00 0.00 56.10 56.72 2g78 s TRP 87 Cb -0.03 -4.31 -0.04 0.00 -1.15 0.00 0.00 33.47 27.95 2g78 s TRP 87 CO 0.00 -2.05 1.50 1.49 0.02 0.00 0.00 176.95 177.91 2g78 h GLU 88 N 10.92 0.87 -3.57 4.98 4.81 -1.10 -3.48 114.58 128.02 2g78 h GLU 88 Ca -0.28 -0.41 -0.15 0.00 -0.13 0.00 0.00 59.36 58.39 2g78 h GLU 88 Cb 1.11 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 2g78 h GLU 88 CO 1.09 1.05 0.05 -1.54 -0.73 0.00 0.00 179.01 178.93 2g78 s SER 89 N -6.64 0.50 0.32 1.04 1.04 -1.04 -5.01 113.70 103.92 2g78 s SER 89 Ca -0.12 -1.34 0.06 0.00 0.48 0.00 0.00 55.95 55.03 2g78 s SER 89 Cb 0.11 0.77 0.73 0.00 0.10 0.00 0.00 66.02 67.73 2g78 s SER 89 CO 0.85 -1.51 1.84 -0.08 0.98 0.00 0.00 173.24 175.32 2g78 h GLU 90 N 2.04 0.77 -0.20 4.02 4.81 -2.02 -2.35 114.58 121.65 2g78 h GLU 90 Ca -0.30 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2g78 h GLU 90 Cb 1.24 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2g78 h GLU 90 CO 0.40 0.51 0.00 0.09 -0.73 0.00 0.00 179.01 179.28 2g78 n ASN 91 N -4.62 3.04 -3.71 1.04 3.02 -1.26 -4.48 115.26 108.28 2g78 n ASN 91 Ca 0.19 -2.55 -0.20 0.00 -0.03 0.00 0.00 54.58 52.00 2g78 n ASN 91 Cb 0.47 -0.34 -0.18 0.00 -0.61 0.00 0.00 39.78 39.13 2g78 n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2g78 s LYS 92 N -1.97 0.12 0.05 3.52 2.20 -0.88 -0.84 119.74 121.94 2g78 s LYS 92 Ca 0.28 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 2g78 s LYS 92 Cb 0.21 -0.61 -0.04 0.00 -1.51 0.00 0.00 37.83 35.88 2g78 s LYS 92 CO 0.09 -0.30 0.19 0.00 -0.36 0.00 0.00 175.35 174.96 2g78 s MET 93 N 1.97 3.36 -0.02 4.03 0.23 0.02 -0.46 119.30 128.43 2g78 s MET 93 Ca 0.03 -0.46 0.02 0.00 -1.03 0.00 0.00 55.69 54.26 2g78 s MET 93 Cb -0.12 -3.00 0.00 0.00 -1.53 0.00 0.00 34.83 30.18 2g78 s MET 93 CO -0.03 0.61 -0.08 0.08 -2.03 0.00 0.00 175.02 173.57 2g78 s VAL 94 N -1.46 0.72 -0.15 5.16 1.01 0.30 -1.20 120.40 124.78 2g78 s VAL 94 Ca 0.33 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.99 2g78 s VAL 94 Cb -0.13 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.62 2g78 s VAL 94 CO 0.26 0.23 -0.20 0.00 0.00 0.00 0.00 175.10 175.39 2g78 s GLU 96 N 1.08 3.58 0.12 0.00 0.41 -0.64 -1.89 118.70 121.36 2g78 s GLU 96 Ca -0.01 -0.07 0.10 0.00 -0.41 0.00 0.00 54.97 54.58 2g78 s GLU 96 Cb -0.14 -3.22 -0.04 0.00 -1.78 0.00 0.00 34.13 28.95 2g78 s GLU 96 CO -0.07 0.71 -0.26 -0.65 -0.49 0.00 0.00 175.26 174.50 2g78 s GLN 97 N -0.88 1.42 -0.04 1.61 -0.21 -1.09 -1.73 119.66 118.75 2g78 s GLN 97 Ca 0.15 -1.30 -0.00 0.00 0.02 0.00 0.00 55.36 54.23 2g78 s GLN 97 Cb -0.12 -1.86 0.03 0.00 1.00 0.00 0.00 33.01 32.06 2g78 s GLN 97 CO 0.05 0.44 0.01 0.15 -2.12 0.00 0.00 175.29 173.82 2g78 s LYS 98 N -1.94 0.27 0.50 2.91 3.01 0.50 -4.59 119.74 120.40 2g78 s LYS 98 Ca 0.13 0.15 -0.23 0.00 -1.01 0.00 0.00 55.97 55.01 2g78 s LYS 98 Cb -0.10 -0.58 -0.07 0.00 -1.01 0.00 0.00 37.83 36.08 2g78 s LYS 98 CO 0.05 -0.21 1.37 1.28 0.51 0.00 0.00 175.35 178.35 2g78 n LEU 99 N 4.59 5.18 0.02 3.17 4.77 -1.26 -0.61 117.00 132.86 2g78 n LEU 99 Ca -0.18 1.04 -0.17 0.00 -0.03 0.00 0.00 56.01 56.68 2g78 n LEU 99 Cb 0.50 -1.58 -0.06 0.00 -2.33 0.00 0.00 43.42 39.95 2g78 n LEU 99 CO 0.16 -0.45 0.20 -0.07 -1.33 0.00 0.00 177.39 175.91 2g78 h LEU 100 N 1.81 0.82 -7.82 2.23 3.38 -1.68 -3.45 115.31 110.60 2g78 h LEU 100 Ca -0.50 -0.59 -0.43 0.00 0.09 0.00 0.00 57.88 56.45 2g78 h LEU 100 Cb 1.29 -0.25 -0.33 0.00 0.09 0.00 0.00 40.66 41.46 2g78 h LEU 100 CO 0.59 1.39 -0.78 -0.54 0.09 0.00 0.00 178.44 179.18 2g78 s LYS 101 N -3.52 1.00 0.67 1.13 1.02 -1.26 -5.10 119.74 113.67 2g78 s LYS 101 Ca -0.09 -0.19 0.00 0.00 0.02 0.00 0.00 55.97 55.71 2g78 s LYS 101 Cb 0.08 -0.94 0.00 0.00 -0.52 0.00 0.00 37.83 36.46 2g78 s LYS 101 CO 0.90 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 175.71 2g78 n GLY 102 N 3.86 -1.79 3.34 -3.33 0.00 -1.26 -4.99 105.19 101.02 2g78 n GLY 102 Ca -0.24 -1.75 -0.18 0.00 0.00 0.00 0.00 46.02 43.86 2g78 n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g78 s GLU 103 N 0.00 1.32 0.00 1.61 8.01 -1.26 -4.87 118.70 123.51 2g78 s GLU 103 Ca 0.00 -1.62 0.00 0.00 0.01 0.00 0.00 54.97 53.36 2g78 s GLU 103 Cb 0.00 -0.96 0.00 0.00 -4.31 0.00 0.00 34.13 28.86 2g78 s GLU 103 CO 0.00 0.09 0.00 0.41 0.01 0.00 0.00 175.26 175.77 2g78 n GLY 104 N -0.39 -0.96 3.66 -1.39 0.00 -1.26 -5.13 105.19 99.72 2g78 n GLY 104 Ca -0.07 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 2g78 n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2g78 n PRO 105 N -0.36 0.56 -2.55 1.61 -0.02 -1.26 -4.94 135.00 128.04 2g78 n PRO 105 Ca 0.00 0.25 -0.43 0.00 -2.02 0.00 0.00 63.50 61.31 2g78 n PRO 105 Cb 0.00 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.11 2g78 n PRO 105 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2g78 s LYS 106 N -3.54 4.34 0.15 -0.52 0.00 -1.26 -4.81 119.74 114.09 2g78 s LYS 106 Ca 0.76 1.54 0.09 0.00 0.00 0.00 0.00 55.97 58.35 2g78 s LYS 106 Cb -0.34 -3.60 -0.04 0.00 0.00 0.00 0.00 37.83 33.85 2g78 s LYS 106 CO 0.48 -0.48 -0.15 0.95 0.00 0.00 0.00 175.35 176.16 2g78 s THR 107 N 2.50 2.98 0.29 3.79 -4.23 -1.26 -0.51 115.64 119.21 2g78 s THR 107 Ca 0.52 -1.59 -0.20 0.00 -1.18 0.00 0.00 61.69 59.23 2g78 s THR 107 Cb -0.21 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.24 2g78 s THR 107 CO 0.17 -0.00 0.74 -0.94 -0.54 0.00 0.00 174.62 174.05 2g78 s SER 108 N -2.47 -0.22 0.11 3.99 1.04 -0.96 -2.66 113.70 112.53 2g78 s SER 108 Ca 0.21 -0.69 -0.09 0.00 0.48 0.00 0.00 55.95 55.86 2g78 s SER 108 Cb -0.10 0.75 -0.00 0.00 0.10 0.00 0.00 66.02 66.76 2g78 s SER 108 CO 0.12 -1.40 0.21 -1.66 0.98 0.00 0.00 173.24 171.50 2g78 s TRP 109 N -3.64 0.22 0.02 5.02 1.48 -0.79 -1.08 118.94 120.16 2g78 s TRP 109 Ca 0.12 -0.63 0.01 0.00 -1.06 0.00 0.00 56.10 54.53 2g78 s TRP 109 Cb -0.06 -0.06 -0.02 0.00 -1.16 0.00 0.00 33.47 32.17 2g78 s TRP 109 CO 0.08 -0.59 -0.03 0.95 -4.06 0.00 0.00 176.95 173.30 2g78 s THR 110 N -3.89 0.20 -0.03 0.66 -4.23 -0.00 -0.33 115.64 108.01 2g78 s THR 110 Ca 0.08 -0.68 0.02 0.00 -1.18 0.00 0.00 61.69 59.93 2g78 s THR 110 Cb 0.05 -0.28 0.01 0.00 1.34 0.00 0.00 72.50 73.61 2g78 s THR 110 CO -0.08 -0.31 -0.09 -0.13 -0.54 0.00 0.00 174.62 173.47 2g78 s ARG 111 N -1.05 0.99 -0.02 3.99 0.52 -0.34 -1.22 118.95 121.83 2g78 s ARG 111 Ca -0.10 -0.29 0.01 0.00 -0.52 0.00 0.00 55.73 54.83 2g78 s ARG 111 Cb -0.07 -0.92 0.01 0.00 0.52 0.00 0.00 34.95 34.49 2g78 s ARG 111 CO -0.00 0.09 -0.02 -2.00 0.02 0.00 0.00 175.30 173.39 2g78 s GLU 112 N 0.28 0.31 -0.21 3.54 2.12 -0.05 -0.80 118.70 123.89 2g78 s GLU 112 Ca -0.05 -0.03 -0.17 0.00 0.36 0.00 0.00 54.97 55.08 2g78 s GLU 112 Cb -0.09 -0.38 -0.03 0.00 0.26 0.00 0.00 34.13 33.88 2g78 s GLU 112 CO 0.01 -0.03 0.47 -0.51 -0.54 0.00 0.00 175.26 174.66 2g78 s LEU 113 N 0.46 4.14 0.52 2.70 1.43 -0.02 -0.64 118.68 127.26 2g78 s LEU 113 Ca -0.05 0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 2g78 s LEU 113 Cb -0.07 -2.63 0.02 0.00 0.03 0.00 0.00 46.19 43.54 2g78 s LEU 113 CO -0.01 -0.15 0.73 0.42 0.23 0.00 0.00 176.35 177.57 2g78 s THR 114 N 1.60 2.99 -0.97 5.49 -4.23 -0.54 -4.86 115.64 115.12 2g78 s THR 114 Ca 0.22 -0.66 0.18 0.00 -1.18 0.00 0.00 61.69 60.25 2g78 s THR 114 Cb -0.15 -3.11 0.15 0.00 1.34 0.00 0.00 72.50 70.73 2g78 s THR 114 CO 0.09 -0.07 1.57 -3.20 -0.54 0.00 0.00 174.62 172.47 2g78 n ASN 115 N -2.24 0.05 -0.65 3.99 5.15 -1.26 -1.86 115.26 118.43 2g78 n ASN 115 Ca 0.06 0.51 0.13 0.00 -0.60 0.00 0.00 54.58 54.68 2g78 n ASN 115 Cb 0.59 -0.52 0.38 0.00 -0.53 0.00 0.00 39.78 39.70 2g78 n ASN 115 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2g78 n ASP 116 N -1.55 2.00 0.00 1.20 5.68 -1.26 -4.95 116.55 117.67 2g78 n ASP 116 Ca 0.04 -1.69 0.00 0.00 -0.50 0.00 0.00 54.79 52.64 2g78 n ASP 116 Cb 0.21 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 2g78 n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2g78 n GLY 117 N 1.23 0.64 3.97 6.12 0.00 -0.78 -5.07 105.19 111.30 2g78 n GLY 117 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 2g78 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g78 s GLU 118 N -0.73 2.31 -0.11 1.61 2.02 -1.26 -4.75 118.70 117.79 2g78 s GLU 118 Ca 0.00 -0.80 0.02 0.00 0.02 0.00 0.00 54.97 54.20 2g78 s GLU 118 Cb 0.00 -2.42 0.02 0.00 0.10 0.00 0.00 34.13 31.83 2g78 s GLU 118 CO 0.00 -0.94 -0.15 -1.17 0.02 0.00 0.00 175.26 173.02 2g78 s LEU 119 N -4.90 1.72 -0.22 1.80 2.96 -0.18 -1.47 118.68 118.40 2g78 s LEU 119 Ca 0.60 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 54.01 2g78 s LEU 119 Cb -0.09 -1.10 -0.03 0.00 0.50 0.00 0.00 46.19 45.47 2g78 s LEU 119 CO 0.40 0.01 0.02 -0.63 -1.32 0.00 0.00 176.35 174.83 2g78 s ILE 120 N 1.04 4.07 -0.17 6.68 1.01 0.19 -0.70 121.20 133.31 2g78 s ILE 120 Ca -0.05 -0.27 -0.07 0.00 0.00 0.00 0.00 60.65 60.26 2g78 s ILE 120 Cb -0.15 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 2g78 s ILE 120 CO -0.03 0.40 0.07 -0.22 0.00 0.00 0.00 174.94 175.17 2g78 s LEU 121 N 1.18 3.90 0.09 2.97 2.96 0.15 -0.87 118.68 129.07 2g78 s LEU 121 Ca 0.03 0.14 0.09 0.00 -0.22 0.00 0.00 54.13 54.18 2g78 s LEU 121 Cb -0.14 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 2g78 s LEU 121 CO 0.02 0.21 -0.24 0.42 -1.32 0.00 0.00 176.35 175.44 2g78 s THR 122 N 0.15 2.00 -0.04 3.68 -4.23 -0.35 -0.68 115.64 116.17 2g78 s THR 122 Ca 0.05 -1.55 0.02 0.00 -1.18 0.00 0.00 61.69 59.03 2g78 s THR 122 Cb -0.12 -1.77 0.02 0.00 1.34 0.00 0.00 72.50 71.97 2g78 s THR 122 CO 0.00 0.12 -0.06 -0.04 -0.54 0.00 0.00 174.62 174.09 2g78 s MET 123 N -1.74 0.98 0.01 3.99 -1.94 -0.17 -0.82 119.30 119.61 2g78 s MET 123 Ca 0.11 -0.19 0.06 0.00 -1.71 0.00 0.00 55.69 53.96 2g78 s MET 123 Cb -0.10 -0.92 -0.02 0.00 2.01 0.00 0.00 34.83 35.80 2g78 s MET 123 CO 0.04 -0.02 -0.20 0.99 -0.01 0.00 0.00 175.02 175.82 2g78 s THR 124 N 0.71 1.57 -0.12 2.05 2.01 -0.25 -0.20 115.64 121.41 2g78 s THR 124 Ca -0.11 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 60.90 2g78 s THR 124 Cb -0.13 -1.33 0.04 0.00 0.01 0.00 0.00 72.50 71.09 2g78 s THR 124 CO 0.01 0.34 0.03 0.00 -0.69 0.00 0.00 174.62 174.30 2g78 s ALA 125 N -0.60 0.73 0.00 7.40 0.00 -0.19 -2.26 121.76 126.84 2g78 s ALA 125 Ca 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.72 2g78 s ALA 125 Cb -0.08 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.13 2g78 s ALA 125 CO 0.00 -0.78 0.00 -0.25 0.00 0.00 0.00 175.76 174.73 2g78 n ASP 126 N 5.14 0.00 0.01 0.00 8.00 0.34 -1.38 116.55 128.66 2g78 n ASP 126 Ca -0.07 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.54 2g78 n ASP 126 Cb 0.49 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.67 2g78 n ASP 126 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2g78 n ASP 127 N 7.75 0.69 -4.74 -2.24 10.43 -1.26 -4.93 116.55 122.26 2g78 n ASP 127 Ca 0.00 -0.49 -0.37 0.00 2.57 0.00 0.00 54.79 56.49 2g78 n ASP 127 Cb 0.00 0.61 -0.06 0.00 1.84 0.00 0.00 41.12 43.51 2g78 n ASP 127 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2g78 s VAL 128 N -3.04 5.20 -0.10 2.53 1.01 -0.48 -5.06 120.40 120.47 2g78 s VAL 128 Ca 0.09 0.83 0.04 0.00 0.00 0.00 0.00 61.98 62.93 2g78 s VAL 128 Cb 0.16 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2g78 s VAL 128 CO 0.78 0.37 -0.21 -0.69 0.00 0.00 0.00 175.10 175.35 2g78 s VAL 129 N 0.37 1.86 -0.14 2.92 1.01 -1.26 -1.03 120.40 124.13 2g78 s VAL 129 Ca 0.23 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 2g78 s VAL 129 Cb -0.15 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 2g78 s VAL 129 CO 0.09 0.52 0.02 0.00 0.00 0.00 0.00 175.10 175.72 2g78 s THR 131 N -0.09 2.03 -0.02 0.00 2.01 -0.81 -1.00 115.64 117.77 2g78 s THR 131 Ca 0.05 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 61.10 2g78 s THR 131 Cb -0.13 -1.78 -0.01 0.00 0.01 0.00 0.00 72.50 70.60 2g78 s THR 131 CO 0.02 0.55 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.82 2g78 s LYS 132 N 0.56 1.21 -0.02 4.92 1.02 0.15 -0.77 119.74 126.80 2g78 s LYS 132 Ca -0.14 -0.50 0.07 0.00 0.02 0.00 0.00 55.97 55.42 2g78 s LYS 132 Cb -0.17 -1.15 -0.02 0.00 -0.52 0.00 0.00 37.83 35.98 2g78 s LYS 132 CO 0.04 0.28 -0.22 0.08 -0.92 0.00 0.00 175.35 174.62 2g78 s VAL 133 N -0.24 1.73 0.14 3.17 1.01 -0.28 -0.67 120.40 125.25 2g78 s VAL 133 Ca 0.04 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.14 2g78 s VAL 133 Cb -0.06 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2g78 s VAL 133 CO -0.00 0.49 -0.12 -0.36 0.00 0.00 0.00 175.10 175.11 2g78 s PHE 134 N -0.45 1.33 0.08 5.22 0.40 0.12 -0.26 117.98 124.42 2g78 s PHE 134 Ca 0.07 -0.65 0.03 0.00 -0.60 0.00 0.00 56.93 55.78 2g78 s PHE 134 Cb -0.09 -0.68 -0.03 0.00 0.51 0.00 0.00 43.02 42.73 2g78 s PHE 134 CO -0.00 0.13 -0.09 0.54 0.70 0.00 0.00 175.22 176.49 2g78 s VAL 135 N -2.75 0.79 0.45 -0.44 0.11 -0.44 -1.01 120.40 117.11 2g78 s VAL 135 Ca 0.13 -1.46 -0.24 0.00 -2.93 0.00 0.00 61.98 57.48 2g78 s VAL 135 Cb -0.01 -1.12 -0.07 0.00 -1.53 0.00 0.00 36.38 33.64 2g78 s VAL 135 CO 0.02 -0.50 1.25 -0.13 -3.33 0.00 0.00 175.10 172.40 2g78 s ARG 136 N -2.41 3.73 0.00 1.54 0.52 -1.26 -0.19 118.95 120.88 2g78 s ARG 136 Ca 0.00 2.00 0.00 0.00 -0.52 0.00 0.00 55.73 57.21 2g78 s ARG 136 Cb -0.05 -2.52 0.00 0.00 0.52 0.00 0.00 34.95 32.90 2g78 s ARG 136 CO -0.00 -0.64 0.46 0.39 0.02 0.00 0.00 175.30 175.53