#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ja4 s VAL 2 N 0.00 4.33 0.46 3.15 1.01 -1.26 -4.14 120.40 123.94 1ja4 s VAL 2 Ca 0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 1ja4 s VAL 2 Cb 0.00 -3.21 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 1ja4 s VAL 2 CO 0.00 0.08 0.89 -0.36 0.00 0.00 0.00 175.10 175.71 1ja4 s PHE 3 N 1.57 3.44 0.56 5.22 0.40 -1.23 -5.10 117.98 122.84 1ja4 s PHE 3 Ca 0.04 1.30 0.01 0.00 -0.60 0.00 0.00 56.93 57.68 1ja4 s PHE 3 Cb -0.17 -2.65 0.11 0.00 0.51 0.00 0.00 43.02 40.82 1ja4 s PHE 3 CO 0.05 -0.23 0.76 0.41 0.70 0.00 0.00 175.22 176.91 1ja4 n GLY 4 N -1.33 0.87 0.40 4.36 0.00 -1.26 -4.92 105.19 103.30 1ja4 n GLY 4 Ca 0.05 -2.04 -0.17 0.00 0.00 0.00 0.00 46.02 43.85 1ja4 n GLY 4 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ja4 h ARG 5 N 0.00 -0.95 -0.65 1.61 2.43 -2.00 -3.02 114.38 111.81 1ja4 h ARG 5 Ca -0.25 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1ja4 h ARG 5 Cb 0.96 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1ja4 h ARG 5 CO 0.28 -0.61 0.00 0.00 -1.51 0.00 0.00 179.97 178.13 1ja4 n GLU 7 N 0.54 0.06 0.00 0.00 2.13 -1.14 -4.35 120.64 117.88 1ja4 n GLU 7 Ca 0.17 -0.01 0.02 0.00 0.66 0.00 0.00 57.16 57.99 1ja4 n GLU 7 Cb 0.69 -1.51 -0.00 0.00 0.27 0.00 0.00 31.44 30.88 1ja4 n GLU 7 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1ja4 n LEU 8 N -1.58 0.70 0.02 4.31 7.94 -1.23 -4.75 117.00 122.40 1ja4 n LEU 8 Ca 0.04 -0.73 0.11 0.00 -1.11 0.00 0.00 56.01 54.32 1ja4 n LEU 8 Cb 0.35 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.30 1ja4 n LEU 8 CO 0.41 0.16 -0.05 0.00 -1.11 0.00 0.00 177.39 176.80 1ja4 n ALA 9 N -0.48 3.50 -0.10 1.96 0.00 -1.26 -4.50 120.51 119.63 1ja4 n ALA 9 Ca 0.01 -0.43 -0.11 0.00 0.00 0.00 0.00 53.44 52.91 1ja4 n ALA 9 Cb 0.07 -0.94 -0.15 0.00 0.00 0.00 0.00 19.45 18.43 1ja4 n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ja4 n ALA 10 N -1.82 1.49 0.67 0.00 0.00 -1.26 -4.30 120.51 115.29 1ja4 n ALA 10 Ca 0.02 -1.26 0.09 0.00 0.00 0.00 0.00 53.44 52.29 1ja4 n ALA 10 Cb 0.43 -0.23 0.41 0.00 0.00 0.00 0.00 19.45 20.06 1ja4 n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ja4 n ALA 11 N -2.80 1.87 0.06 0.00 0.00 -1.26 -2.14 120.51 116.24 1ja4 n ALA 11 Ca -0.33 -0.07 -0.09 0.00 0.00 0.00 0.00 53.44 52.95 1ja4 n ALA 11 Cb 1.13 -1.30 -0.13 0.00 0.00 0.00 0.00 19.45 19.15 1ja4 n ALA 11 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1ja4 h MET 12 N 0.00 0.06 0.00 0.00 2.86 -1.79 -3.21 114.93 112.85 1ja4 h MET 12 Ca 0.00 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1ja4 h MET 12 Cb 0.30 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1ja4 h MET 12 CO 0.00 0.99 -0.53 -0.22 1.06 0.00 0.00 176.91 178.20 1ja4 h LYS 13 N 0.02 0.00 0.00 1.72 3.64 -1.68 -3.18 116.57 117.08 1ja4 h LYS 13 Ca -0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1ja4 h LYS 13 Cb 1.84 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.66 1ja4 h LYS 13 CO 0.14 0.00 0.00 -0.09 -2.27 0.00 0.00 179.45 177.23 1ja4 h ARG 14 N 0.00 0.00 -0.21 1.90 2.43 -1.44 -2.86 114.38 114.20 1ja4 h ARG 14 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ja4 h ARG 14 Cb 0.97 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1ja4 h ARG 14 CO 0.00 0.00 0.00 1.58 -1.51 0.00 0.00 179.97 180.04 1ja4 n HIS 15 N -2.89 0.27 -0.77 2.20 -0.00 -1.20 -5.04 115.22 107.78 1ja4 n HIS 15 Ca 0.02 -0.23 0.00 0.00 0.46 0.00 0.00 57.72 57.96 1ja4 n HIS 15 Cb 0.33 -0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.19 1ja4 n HIS 15 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ja4 n GLY 16 N 0.76 0.65 0.00 1.57 0.00 -1.08 -4.98 105.19 102.11 1ja4 n GLY 16 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1ja4 n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ja4 n LEU 17 N 0.00 0.00 -4.59 0.99 4.77 -1.22 -4.68 117.00 112.27 1ja4 n LEU 17 Ca 0.00 0.09 -0.49 0.00 -0.03 0.00 0.00 56.01 55.58 1ja4 n LEU 17 Cb 0.00 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 1ja4 n LEU 17 CO 0.00 -0.02 1.65 -0.67 -1.33 0.00 0.00 177.39 177.02 1ja4 n ASP 18 N -1.09 2.86 -3.52 -1.43 2.03 -1.26 0.84 116.55 114.98 1ja4 n ASP 18 Ca 0.16 0.66 -0.26 0.00 0.52 0.00 0.00 54.79 55.86 1ja4 n ASP 18 Cb 0.11 -1.34 0.01 0.00 -0.72 0.00 0.00 41.12 39.18 1ja4 n ASP 18 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1ja4 n ASN 19 N 8.51 -4.58 -4.66 1.67 4.13 -0.05 -4.84 115.26 115.44 1ja4 n ASN 19 Ca 0.31 -0.52 -0.43 0.00 1.68 0.00 0.00 54.58 55.62 1ja4 n ASN 19 Cb 0.28 -3.71 -0.02 0.00 -1.54 0.00 0.00 39.78 34.78 1ja4 n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1ja4 s TYR 20 N -3.12 2.35 -1.58 3.10 5.04 0.95 -2.98 117.35 121.11 1ja4 s TYR 20 Ca 0.49 0.54 -0.12 0.00 -2.44 0.00 0.00 57.07 55.54 1ja4 s TYR 20 Cb -0.25 -3.74 0.10 0.00 0.35 0.00 0.00 41.96 38.42 1ja4 s TYR 20 CO 0.60 -2.93 0.73 -2.13 -1.34 0.00 0.00 175.55 170.48 1ja4 n ARG 21 N 6.90 -3.76 -0.78 4.97 3.00 -1.26 0.15 116.66 125.88 1ja4 n ARG 21 Ca 0.16 0.44 0.00 0.00 -0.00 0.00 0.00 57.85 58.44 1ja4 n ARG 21 Cb 0.44 -5.03 0.00 0.00 0.00 0.00 0.00 32.46 27.86 1ja4 n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ja4 n GLY 22 N -1.62 0.65 3.21 5.14 0.00 -1.16 -5.03 105.19 106.37 1ja4 n GLY 22 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1ja4 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ja4 s TYR 23 N -2.20 3.24 0.65 1.61 2.02 0.39 -5.00 117.35 118.07 1ja4 s TYR 23 Ca 0.00 -1.68 -0.03 0.00 -0.37 0.00 0.00 57.07 54.99 1ja4 s TYR 23 Cb 0.00 -2.16 0.06 0.00 -0.40 0.00 0.00 41.96 39.47 1ja4 s TYR 23 CO 0.00 -0.77 0.93 -1.54 -1.57 0.00 0.00 175.55 172.60 1ja4 s SER 24 N 1.31 4.87 0.62 2.29 1.04 -1.26 0.32 113.70 122.89 1ja4 s SER 24 Ca -0.04 0.14 0.32 0.00 0.48 0.00 0.00 55.95 56.86 1ja4 s SER 24 Cb -0.19 -0.82 1.80 0.00 0.10 0.00 0.00 66.02 66.90 1ja4 s SER 24 CO 0.00 -1.49 2.11 0.25 0.98 0.00 0.00 173.24 175.09 1ja4 h LEU 25 N -0.35 0.00 -0.59 2.42 5.85 -1.91 -0.78 115.31 119.94 1ja4 h LEU 25 Ca -0.42 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.25 1ja4 h LEU 25 Cb 1.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1ja4 h LEU 25 CO 0.53 0.00 -0.24 1.23 -0.34 0.00 0.00 178.44 179.63 1ja4 h GLY 26 N 0.00 0.00 -1.17 3.75 0.00 -1.93 -3.32 103.07 100.40 1ja4 h GLY 26 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1ja4 h GLY 26 CO -0.00 0.00 -0.05 0.70 0.00 0.00 0.00 176.54 177.18 1ja4 n ASN 27 N -3.25 2.24 -0.10 0.19 3.02 -0.30 -4.75 115.26 112.30 1ja4 n ASN 27 Ca 0.02 -1.71 -0.15 0.00 -0.03 0.00 0.00 54.58 52.71 1ja4 n ASN 27 Cb 0.53 0.05 -0.05 0.00 -0.61 0.00 0.00 39.78 39.69 1ja4 n ASN 27 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1ja4 n TRP 28 N 0.68 0.11 -0.27 3.10 7.02 -1.25 -4.80 117.44 122.03 1ja4 n TRP 28 Ca 0.15 0.05 0.16 0.00 -1.02 0.00 0.00 57.50 56.84 1ja4 n TRP 28 Cb 0.48 -0.67 0.44 0.00 -2.42 0.00 0.00 31.31 29.14 1ja4 n TRP 28 CO 0.00 0.00 0.00 -0.24 -2.02 0.00 0.00 177.69 175.43 1ja4 h VAL 29 N -1.00 0.73 -0.19 -0.99 3.04 -1.86 -3.07 116.25 112.91 1ja4 h VAL 29 Ca -0.20 -0.19 0.01 0.00 -1.01 0.00 0.00 66.70 65.31 1ja4 h VAL 29 Cb 1.14 0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.53 1ja4 h VAL 29 CO -0.12 0.10 0.11 0.00 -1.01 0.00 0.00 177.57 176.65 1ja4 h ALA 31 N 1.08 2.25 0.00 0.00 0.00 -1.86 -0.81 119.26 119.92 1ja4 h ALA 31 Ca 0.07 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1ja4 h ALA 31 Cb -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ja4 h ALA 31 CO -0.04 -0.52 -0.17 0.00 0.00 0.00 0.00 179.25 178.52 1ja4 h ALA 32 N 1.61 0.98 0.00 0.00 0.00 -1.76 -0.47 119.26 119.63 1ja4 h ALA 32 Ca 0.45 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1ja4 h ALA 32 Cb 1.17 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ja4 h ALA 32 CO -0.15 0.21 -0.14 -0.22 0.00 0.00 0.00 179.25 178.95 1ja4 h LYS 33 N 0.00 0.00 -0.01 0.00 1.63 -1.30 0.26 116.57 117.14 1ja4 h LYS 33 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ja4 h LYS 33 Cb 0.78 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1ja4 h LYS 33 CO 0.02 0.14 -0.10 1.19 -3.45 0.00 0.00 179.45 177.25 1ja4 n PHE 34 N -3.24 0.00 -0.02 1.91 3.72 -0.77 -3.00 117.46 116.07 1ja4 n PHE 34 Ca 0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.40 1ja4 n PHE 34 Cb 0.42 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.93 1ja4 n PHE 34 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1ja4 n GLU 35 N 0.14 3.07 0.00 -1.08 -0.58 -0.26 -4.84 120.64 117.09 1ja4 n GLU 35 Ca 0.05 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1ja4 n GLU 35 Cb 0.22 -1.09 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 1ja4 n GLU 35 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1ja4 n SER 36 N -2.08 0.12 -3.58 1.62 7.64 0.06 -4.67 113.62 112.72 1ja4 n SER 36 Ca -0.05 -0.53 -0.23 0.00 1.01 0.00 0.00 58.87 59.07 1ja4 n SER 36 Cb 0.56 0.13 0.08 0.00 -1.01 0.00 0.00 64.21 63.98 1ja4 n SER 36 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ja4 n ASN 37 N -0.13 -5.61 -2.16 6.43 5.15 0.69 -0.50 115.26 119.12 1ja4 n ASN 37 Ca 0.00 -0.56 -0.21 0.00 -0.60 0.00 0.00 54.58 53.21 1ja4 n ASN 37 Cb 0.09 -5.02 -0.03 0.00 -0.53 0.00 0.00 39.78 34.28 1ja4 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ja4 n PHE 38 N -4.86 -0.71 -4.23 1.20 3.72 -1.02 -4.94 117.46 106.62 1ja4 n PHE 38 Ca -0.04 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.03 1ja4 n PHE 38 Cb 0.58 -3.82 -0.08 0.00 -0.94 0.00 0.00 39.48 35.21 1ja4 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ja4 s ASN 39 N -2.26 5.23 0.06 4.37 2.47 0.35 -3.49 114.94 121.66 1ja4 s ASN 39 Ca 0.00 0.01 0.21 0.00 0.42 0.00 0.00 52.86 53.50 1ja4 s ASN 39 Cb 0.00 -1.39 -0.17 0.00 -1.45 0.00 0.00 41.25 38.24 1ja4 s ASN 39 CO 0.00 0.27 0.72 0.41 -3.72 0.00 0.00 177.10 174.78 1ja4 n THR 40 N 1.28 0.51 -3.72 -5.21 -1.04 -1.26 -4.42 114.28 100.42 1ja4 n THR 40 Ca -0.14 -0.57 -0.34 0.00 -2.04 0.00 0.00 64.05 60.96 1ja4 n THR 40 Cb 0.53 -0.27 -0.08 0.00 -1.82 0.00 0.00 70.33 68.68 1ja4 n THR 40 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1ja4 s GLN 41 N -3.30 3.00 -0.39 -2.82 -0.21 -1.26 -4.34 119.66 110.34 1ja4 s GLN 41 Ca -0.04 -3.27 0.01 0.00 0.02 0.00 0.00 55.36 52.08 1ja4 s GLN 41 Cb 0.11 -3.79 0.15 0.00 1.00 0.00 0.00 33.01 30.48 1ja4 s GLN 41 CO 0.84 -1.27 0.25 0.00 -2.12 0.00 0.00 175.29 173.00 1ja4 s ALA 42 N -1.32 1.35 -0.24 6.09 0.00 -1.26 -5.11 121.76 121.27 1ja4 s ALA 42 Ca 0.26 -2.19 -0.08 0.00 0.00 0.00 0.00 51.96 49.95 1ja4 s ALA 42 Cb -0.07 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 1ja4 s ALA 42 CO -0.13 -2.07 0.10 0.99 0.00 0.00 0.00 175.76 174.65 1ja4 s THR 43 N 0.63 4.73 -0.02 0.00 2.01 -1.26 -4.59 115.64 117.14 1ja4 s THR 43 Ca 0.22 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.19 1ja4 s THR 43 Cb -0.17 -3.20 0.01 0.00 0.01 0.00 0.00 72.50 69.16 1ja4 s THR 43 CO -0.04 0.35 -0.02 0.20 -0.69 0.00 0.00 174.62 174.42 1ja4 s ASN 44 N 1.28 0.41 -0.29 3.53 0.01 -1.10 -4.97 114.94 113.82 1ja4 s ASN 44 Ca 0.06 -0.05 -0.13 0.00 -0.71 0.00 0.00 52.86 52.03 1ja4 s ASN 44 Cb -0.15 -0.15 -0.04 0.00 0.41 0.00 0.00 41.25 41.33 1ja4 s ASN 44 CO 0.05 -0.03 0.30 -0.60 -1.51 0.00 0.00 177.10 175.31 1ja4 s ARG 45 N 0.50 3.92 0.32 -0.60 3.52 -1.26 0.33 118.95 125.66 1ja4 s ARG 45 Ca -0.05 -0.17 -0.24 0.00 -0.13 0.00 0.00 55.73 55.15 1ja4 s ARG 45 Cb -0.08 -3.68 -0.10 0.00 -1.56 0.00 0.00 34.95 29.53 1ja4 s ARG 45 CO -0.01 -0.28 0.89 -0.80 -0.81 0.00 0.00 175.30 174.29 1ja4 s ASN 46 N 1.70 7.21 0.30 -2.12 0.01 0.61 -4.88 114.94 117.77 1ja4 s ASN 46 Ca 0.11 1.71 0.15 0.00 -0.71 0.00 0.00 52.86 54.13 1ja4 s ASN 46 Cb -0.16 -2.53 0.84 0.00 0.41 0.00 0.00 41.25 39.81 1ja4 s ASN 46 CO 0.11 -0.09 1.41 0.35 -1.51 0.00 0.00 177.10 177.36 1ja4 n THR 47 N 0.40 0.83 0.56 1.60 -2.24 -1.26 -1.10 114.28 113.07 1ja4 n THR 47 Ca 0.02 0.73 0.05 0.00 -2.27 0.00 0.00 64.05 62.57 1ja4 n THR 47 Cb 0.51 -1.73 0.27 0.00 -2.10 0.00 0.00 70.33 67.28 1ja4 n THR 47 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ja4 n ASP 48 N -2.09 0.00 0.00 3.42 5.75 -1.26 -4.72 116.55 117.66 1ja4 n ASP 48 Ca -0.01 -0.24 0.00 0.00 -0.01 0.00 0.00 54.79 54.53 1ja4 n ASP 48 Cb 0.20 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1ja4 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ja4 n GLY 49 N -0.44 1.26 3.92 6.12 0.00 -0.26 -5.04 105.19 110.75 1ja4 n GLY 49 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1ja4 n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ja4 s SER 50 N -2.52 6.32 0.33 1.61 0.01 -1.06 -4.87 113.70 113.52 1ja4 s SER 50 Ca 0.00 0.65 0.08 0.00 1.31 0.00 0.00 55.95 57.99 1ja4 s SER 50 Cb 0.00 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 64.07 1ja4 s SER 50 CO 0.00 -0.36 0.18 -0.89 0.41 0.00 0.00 173.24 172.57 1ja4 s THR 51 N -2.40 3.25 -0.31 1.44 2.01 -1.26 0.23 115.64 118.59 1ja4 s THR 51 Ca 0.43 -1.61 -0.05 0.00 0.31 0.00 0.00 61.69 60.78 1ja4 s THR 51 Cb -0.10 -3.05 0.04 0.00 0.01 0.00 0.00 72.50 69.40 1ja4 s THR 51 CO 0.37 -0.20 0.05 -1.81 -0.69 0.00 0.00 174.62 172.35 1ja4 s ASP 52 N -3.88 5.06 0.02 3.53 1.01 0.98 -2.82 116.67 120.57 1ja4 s ASP 52 Ca 0.38 -1.09 -0.02 0.00 0.71 0.00 0.00 52.55 52.53 1ja4 s ASP 52 Cb -0.04 -1.80 -0.04 0.00 1.01 0.00 0.00 42.92 42.05 1ja4 s ASP 52 CO 0.24 -0.27 0.20 -0.31 0.21 0.00 0.00 175.17 175.24 1ja4 s TYR 53 N 1.36 3.54 0.01 4.23 1.51 0.89 -2.72 117.35 126.16 1ja4 s TYR 53 Ca -0.02 0.33 0.00 0.00 -1.01 0.00 0.00 57.07 56.37 1ja4 s TYR 53 Cb -0.19 -1.81 0.00 0.00 -0.11 0.00 0.00 41.96 39.85 1ja4 s TYR 53 CO 0.01 0.62 0.00 0.41 -1.11 0.00 0.00 175.55 175.48 1ja4 n GLY 54 N 0.67 -2.09 0.04 0.71 0.00 -1.25 -1.21 105.19 102.06 1ja4 n GLY 54 Ca -0.08 -1.43 0.14 0.00 0.00 0.00 0.00 46.02 44.65 1ja4 n GLY 54 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ja4 n ILE 55 N -0.39 0.00 1.03 -0.61 3.06 -1.26 -3.32 119.36 117.87 1ja4 n ILE 55 Ca 0.00 -0.02 0.12 0.00 -2.50 0.00 0.00 62.75 60.35 1ja4 n ILE 55 Cb 0.01 -0.28 0.11 0.00 0.54 0.00 0.00 39.64 40.01 1ja4 n ILE 55 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1ja4 n LEU 56 N -1.27 2.67 -3.52 9.51 4.77 -1.26 -3.82 117.00 124.08 1ja4 n LEU 56 Ca 0.11 -0.91 -0.23 0.00 -0.03 0.00 0.00 56.01 54.96 1ja4 n LEU 56 Cb 0.29 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.43 1ja4 n LEU 56 CO 0.26 0.45 -0.03 0.00 -1.33 0.00 0.00 177.39 176.75 1ja4 n GLN 57 N 0.95 -2.63 -2.90 3.23 1.13 -1.18 -4.95 117.38 111.03 1ja4 n GLN 57 Ca 0.13 0.66 -0.40 0.00 -1.94 0.00 0.00 57.00 55.45 1ja4 n GLN 57 Cb 0.55 -5.05 -0.05 0.00 0.11 0.00 0.00 30.24 25.80 1ja4 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ja4 s ILE 58 N -3.48 4.51 -0.15 5.09 1.01 -0.35 -4.65 121.20 123.18 1ja4 s ILE 58 Ca 0.35 1.80 -0.18 0.00 0.00 0.00 0.00 60.65 62.61 1ja4 s ILE 58 Cb -0.09 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 1ja4 s ILE 58 CO 0.80 0.41 0.49 0.54 0.00 0.00 0.00 174.94 177.18 1ja4 s ASN 59 N -0.46 6.62 0.62 3.58 4.22 -1.25 -0.08 114.94 128.20 1ja4 s ASN 59 Ca 0.40 0.74 0.33 0.00 -2.14 0.00 0.00 52.86 52.20 1ja4 s ASN 59 Cb -0.22 -2.28 1.89 0.00 1.28 0.00 0.00 41.25 41.91 1ja4 s ASN 59 CO 0.26 -0.07 2.17 0.77 -2.04 0.00 0.00 177.10 178.19 1ja4 h SER 60 N 7.03 0.00 0.25 3.54 4.64 -1.84 -3.04 113.55 124.14 1ja4 h SER 60 Ca -0.38 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.93 1ja4 h SER 60 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1ja4 h SER 60 CO 0.75 0.00 -0.17 -0.09 -0.87 0.00 0.00 176.83 176.45 1ja4 h ARG 61 N 0.00 -0.41 0.07 4.77 2.43 -1.87 -3.19 114.38 116.19 1ja4 h ARG 61 Ca 0.04 0.03 -0.30 0.00 -0.81 0.00 0.00 59.98 58.94 1ja4 h ARG 61 Cb 0.31 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1ja4 h ARG 61 CO -0.00 -0.27 -1.62 -1.49 -1.51 0.00 0.00 179.97 175.08 1ja4 h TRP 62 N -0.42 0.25 0.00 2.20 4.06 -1.92 -2.99 115.95 117.14 1ja4 h TRP 62 Ca -0.02 -0.19 -0.25 0.00 2.06 0.00 0.00 58.89 60.49 1ja4 h TRP 62 Cb 0.36 -0.01 -0.05 0.00 -1.00 0.00 0.00 29.16 28.46 1ja4 h TRP 62 CO -0.10 1.64 -1.93 0.91 -3.56 0.00 0.00 178.44 175.39 1ja4 n TRP 63 N -3.96 0.00 -4.12 0.49 7.02 -1.23 -3.63 117.44 112.01 1ja4 n TRP 63 Ca -0.32 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 55.94 1ja4 n TRP 63 Cb 0.87 -0.67 -0.02 0.00 -2.42 0.00 0.00 31.31 29.07 1ja4 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ja4 s ASN 65 N -3.34 4.97 -0.00 0.00 2.47 -1.25 -4.01 114.94 113.77 1ja4 s ASN 65 Ca 0.14 -1.68 0.04 0.00 0.42 0.00 0.00 52.86 51.77 1ja4 s ASN 65 Cb -0.01 -1.73 -0.04 0.00 -1.45 0.00 0.00 41.25 38.02 1ja4 s ASN 65 CO 0.09 -0.37 0.14 -0.90 -3.72 0.00 0.00 177.10 172.33 1ja4 n ASP 66 N 4.54 0.98 0.00 -4.21 5.75 -1.26 -2.48 116.55 119.87 1ja4 n ASP 66 Ca -0.07 -0.47 0.00 0.00 -0.01 0.00 0.00 54.79 54.25 1ja4 n ASP 66 Cb 0.42 1.03 0.00 0.00 -1.03 0.00 0.00 41.12 41.55 1ja4 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ja4 n GLY 67 N 1.33 2.80 0.45 6.12 0.00 -1.26 -4.77 105.19 109.86 1ja4 n GLY 67 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1ja4 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ja4 n ARG 68 N -2.00 1.57 -3.78 1.61 1.85 -1.26 -4.77 116.66 109.88 1ja4 n ARG 68 Ca 0.00 -1.01 -0.35 0.00 -1.00 0.00 0.00 57.85 55.50 1ja4 n ARG 68 Cb 0.00 -1.27 -0.11 0.00 -1.05 0.00 0.00 32.46 30.03 1ja4 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ja4 s THR 69 N -1.68 3.40 0.55 8.89 2.01 -1.26 -5.07 115.64 122.48 1ja4 s THR 69 Ca 0.15 -3.10 -0.18 0.00 0.31 0.00 0.00 61.69 58.86 1ja4 s THR 69 Cb 0.13 -3.25 -0.06 0.00 0.01 0.00 0.00 72.50 69.33 1ja4 s THR 69 CO 0.33 -0.86 1.07 -2.84 -0.69 0.00 0.00 174.62 171.62 1ja4 s PRO 70 N -0.18 3.48 0.00 4.92 0.02 -1.26 -3.30 135.00 138.68 1ja4 s PRO 70 Ca 0.17 1.35 0.00 0.00 0.02 0.00 0.00 61.00 62.54 1ja4 s PRO 70 Cb -0.22 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.26 1ja4 s PRO 70 CO -0.02 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 1ja4 n GLY 71 N -0.45 0.58 3.76 0.52 0.00 -1.26 -5.02 105.19 103.32 1ja4 n GLY 71 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1ja4 n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ja4 s SER 72 N -2.05 7.23 0.41 1.61 0.15 -1.21 -4.97 113.70 114.87 1ja4 s SER 72 Ca 0.00 1.46 0.19 0.00 0.70 0.00 0.00 55.95 58.31 1ja4 s SER 72 Cb 0.00 -2.46 0.87 0.00 -1.71 0.00 0.00 66.02 62.72 1ja4 s SER 72 CO 0.00 0.10 1.84 0.03 1.20 0.00 0.00 173.24 176.41 1ja4 h ARG 73 N 5.17 0.00 -4.97 5.44 3.08 -1.65 -3.46 114.38 117.99 1ja4 h ARG 73 Ca -0.45 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.29 1ja4 h ARG 73 Cb 1.21 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.20 1ja4 h ARG 73 CO 0.69 0.31 -0.44 -1.71 -1.07 0.00 0.00 179.97 177.75 1ja4 n ASN 74 N -3.69 -3.45 -0.24 7.04 5.15 -1.24 -4.78 115.26 114.05 1ja4 n ASN 74 Ca -0.01 -0.15 0.03 0.00 -0.60 0.00 0.00 54.58 53.85 1ja4 n ASN 74 Cb 0.42 -2.90 0.15 0.00 -0.53 0.00 0.00 39.78 36.92 1ja4 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ja4 h LEU 75 N -0.59 0.28 -1.00 1.20 3.38 -1.62 0.11 115.31 117.07 1ja4 h LEU 75 Ca -0.35 0.09 0.07 0.00 0.09 0.00 0.00 57.88 57.78 1ja4 h LEU 75 Cb 1.24 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 1ja4 h LEU 75 CO 0.43 0.14 0.65 0.00 0.09 0.00 0.00 178.44 179.75 1ja4 n ASN 77 N -4.50 -5.27 -3.46 0.00 3.02 0.37 -5.08 115.26 100.33 1ja4 n ASN 77 Ca 0.15 -0.52 -0.11 0.00 -0.03 0.00 0.00 54.58 54.08 1ja4 n ASN 77 Cb 0.18 -3.94 -0.03 0.00 -0.61 0.00 0.00 39.78 35.38 1ja4 n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1ja4 s ILE 78 N -3.28 0.00 0.14 2.41 -4.36 -1.26 -5.09 121.20 109.76 1ja4 s ILE 78 Ca 0.32 -1.36 -0.31 0.00 -0.26 0.00 0.00 60.65 59.04 1ja4 s ILE 78 Cb -0.04 -2.51 -0.09 0.00 1.25 0.00 0.00 42.46 41.06 1ja4 s ILE 78 CO 0.54 0.00 1.56 -2.16 0.24 0.00 0.00 174.94 175.12 1ja4 s PRO 79 N -3.25 4.22 0.38 0.37 0.04 -1.26 -3.94 135.00 131.57 1ja4 s PRO 79 Ca 0.23 2.32 0.28 0.00 0.04 0.00 0.00 61.00 63.87 1ja4 s PRO 79 Cb -0.02 -3.24 1.24 0.00 0.04 0.00 0.00 34.50 32.52 1ja4 s PRO 79 CO 0.14 -0.61 1.84 0.00 0.04 0.00 0.00 177.00 178.41 1ja4 h SER 81 N 0.00 0.00 0.70 0.00 4.64 -1.85 -3.26 113.55 113.77 1ja4 h SER 81 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1ja4 h SER 81 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1ja4 h SER 81 CO 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 1ja4 n ALA 82 N -2.02 1.94 1.54 5.18 0.00 0.01 -0.69 120.51 126.47 1ja4 n ALA 82 Ca 0.01 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.52 1ja4 n ALA 82 Cb 0.50 -1.33 0.76 0.00 0.00 0.00 0.00 19.45 19.38 1ja4 n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ja4 n LEU 83 N -1.49 0.00 -0.07 0.00 4.77 -1.23 -3.51 117.00 115.46 1ja4 n LEU 83 Ca 0.05 0.11 -0.05 0.00 -0.03 0.00 0.00 56.01 56.10 1ja4 n LEU 83 Cb 0.24 -0.11 -0.15 0.00 -2.33 0.00 0.00 43.42 41.06 1ja4 n LEU 83 CO 0.19 -0.01 -1.03 0.18 -1.33 0.00 0.00 177.39 175.38 1ja4 n LEU 84 N -1.11 0.00 -4.80 2.23 4.77 0.13 -3.93 117.00 114.29 1ja4 n LEU 84 Ca 0.18 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.83 1ja4 n LEU 84 Cb 0.14 0.36 0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1ja4 n LEU 84 CO 0.17 0.36 0.72 -0.55 -1.33 0.00 0.00 177.39 176.77 1ja4 s SER 85 N -5.11 5.53 0.53 -1.43 0.15 -1.23 -4.76 113.70 107.37 1ja4 s SER 85 Ca -0.09 1.84 0.31 0.00 0.70 0.00 0.00 55.95 58.71 1ja4 s SER 85 Cb 0.07 -2.53 1.46 0.00 -1.71 0.00 0.00 66.02 63.31 1ja4 s SER 85 CO 0.80 -1.34 1.87 0.77 1.20 0.00 0.00 173.24 176.54 1ja4 h SER 86 N 0.16 0.04 -2.77 5.45 4.64 -1.93 -3.32 113.55 115.81 1ja4 h SER 86 Ca -0.46 0.01 -0.61 0.00 -0.47 0.00 0.00 61.79 60.25 1ja4 h SER 86 Cb 1.23 -0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.19 1ja4 h SER 86 CO 0.56 0.01 0.63 -0.62 -0.87 0.00 0.00 176.83 176.54 1ja4 s ASP 87 N -5.54 6.22 0.00 4.97 2.15 -1.26 -4.80 116.67 118.41 1ja4 s ASP 87 Ca -0.05 -0.72 0.27 0.00 0.43 0.00 0.00 52.55 52.48 1ja4 s ASP 87 Cb 0.22 -2.44 0.96 0.00 -0.30 0.00 0.00 42.92 41.36 1ja4 s ASP 87 CO 0.78 -1.44 1.69 2.30 -0.17 0.00 0.00 175.17 178.34 1ja4 n ILE 88 N 6.07 0.02 0.15 4.11 -5.35 -1.25 -4.46 119.36 118.65 1ja4 n ILE 88 Ca -0.01 -0.28 0.15 0.00 -0.27 0.00 0.00 62.75 62.34 1ja4 n ILE 88 Cb 0.47 0.56 0.49 0.00 -1.74 0.00 0.00 39.64 39.41 1ja4 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ja4 h THR 89 N 2.51 0.08 0.00 7.28 2.02 -1.92 -1.29 112.91 121.59 1ja4 h THR 89 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ja4 h THR 89 Cb 0.53 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1ja4 h THR 89 CO 0.00 0.00 -0.96 0.00 0.37 0.00 0.00 175.52 174.93 1ja4 n ALA 90 N -1.96 2.54 -0.03 6.16 0.00 -1.26 -4.74 120.51 121.21 1ja4 n ALA 90 Ca 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 53.44 53.31 1ja4 n ALA 90 Cb 0.88 -0.26 0.28 0.00 0.00 0.00 0.00 19.45 20.35 1ja4 n ALA 90 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ja4 h SER 91 N 0.00 0.56 0.47 0.00 0.02 -1.54 -2.46 113.55 110.61 1ja4 h SER 91 Ca 0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1ja4 h SER 91 Cb 0.28 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1ja4 h SER 91 CO 0.00 0.59 0.00 0.52 -1.14 0.00 0.00 176.83 176.80 1ja4 n VAL 92 N -4.30 0.49 -0.35 2.27 0.31 -1.26 -2.61 118.33 112.88 1ja4 n VAL 92 Ca 0.02 0.12 0.10 0.00 -0.01 0.00 0.00 64.34 64.58 1ja4 n VAL 92 Cb 0.22 -0.80 0.28 0.00 -0.91 0.00 0.00 33.84 32.63 1ja4 n VAL 92 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1ja4 h ASN 93 N 0.00 0.83 0.50 4.52 2.35 -1.77 0.66 115.58 122.67 1ja4 h ASN 93 Ca 0.00 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1ja4 h ASN 93 Cb 0.24 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1ja4 h ASN 93 CO 0.00 0.37 -0.35 0.00 -1.65 0.00 0.00 177.43 175.80 1ja4 h ALA 95 N 3.19 -0.01 0.00 0.00 0.00 0.13 -2.41 119.26 120.16 1ja4 h ALA 95 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.94 1ja4 h ALA 95 Cb 0.49 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ja4 h ALA 95 CO 0.00 0.85 0.00 0.87 0.00 0.00 0.00 179.25 180.97 1ja4 h LYS 96 N 0.12 0.00 0.00 0.00 1.57 -0.88 -3.28 116.57 114.10 1ja4 h LYS 96 Ca -0.27 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.19 1ja4 h LYS 96 Cb 2.12 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 34.37 1ja4 h LYS 96 CO 0.23 0.00 -2.22 1.63 -0.57 0.00 0.00 179.45 178.52 1ja4 n LYS 97 N -2.95 0.93 0.00 3.15 5.02 -1.23 -4.38 118.16 118.70 1ja4 n LYS 97 Ca 0.02 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1ja4 n LYS 97 Cb 0.34 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1ja4 n LYS 97 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1ja4 n ILE 98 N -2.84 1.93 -0.06 -0.18 5.41 -0.91 -0.75 119.36 121.97 1ja4 n ILE 98 Ca -0.33 0.49 -0.04 0.00 1.00 0.00 0.00 62.75 63.88 1ja4 n ILE 98 Cb 1.01 -1.49 -0.15 0.00 -0.71 0.00 0.00 39.64 38.30 1ja4 n ILE 98 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1ja4 n VAL 99 N -1.48 1.08 0.30 1.39 0.24 -1.26 -4.09 118.33 114.51 1ja4 n VAL 99 Ca 0.00 -0.75 0.14 0.00 -2.04 0.00 0.00 64.34 61.69 1ja4 n VAL 99 Cb 0.01 -0.45 0.67 0.00 -1.47 0.00 0.00 33.84 32.60 1ja4 n VAL 99 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1ja4 h SER 100 N 0.00 0.00 -0.83 -1.34 0.87 -1.14 0.05 113.55 111.16 1ja4 h SER 100 Ca -0.35 0.00 0.24 0.00 -1.23 0.00 0.00 61.79 60.45 1ja4 h SER 100 Cb 1.86 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.79 1ja4 h SER 100 CO 0.03 0.00 0.60 -0.78 -0.53 0.00 0.00 176.83 176.15 1ja4 h ASP 101 N 0.00 0.00 0.00 6.23 1.82 -1.70 -3.46 116.42 119.31 1ja4 h ASP 101 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1ja4 h ASP 101 Cb 0.24 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.25 1ja4 h ASP 101 CO 0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 1ja4 n GLY 102 N -1.70 1.19 1.21 -0.78 0.00 0.00 -4.92 105.19 100.19 1ja4 n GLY 102 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 1ja4 n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ja4 n ASN 103 N 0.00 3.52 -0.10 1.61 2.85 -1.26 -5.04 115.26 116.84 1ja4 n ASN 103 Ca 0.00 -2.10 0.00 0.00 -0.11 0.00 0.00 54.58 52.37 1ja4 n ASN 103 Cb 0.00 -0.44 0.00 0.00 1.24 0.00 0.00 39.78 40.58 1ja4 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ja4 n GLY 104 N 1.37 -0.95 0.00 8.20 0.00 -1.26 -3.88 105.19 108.66 1ja4 n GLY 104 Ca 0.21 -1.18 0.04 0.00 0.00 0.00 0.00 46.02 45.09 1ja4 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ja4 n MET 105 N -0.21 0.21 0.00 1.61 2.81 -1.26 -3.26 117.12 117.02 1ja4 n MET 105 Ca 0.00 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 1ja4 n MET 105 Cb 0.00 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.01 1ja4 n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1ja4 n ASN 106 N -1.12 2.23 -0.00 7.83 3.02 -1.25 -2.21 115.26 123.76 1ja4 n ASN 106 Ca 0.05 -1.67 0.10 0.00 -0.03 0.00 0.00 54.58 53.04 1ja4 n ASN 106 Cb 0.05 -0.42 -0.13 0.00 -0.61 0.00 0.00 39.78 38.67 1ja4 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ja4 n ALA 107 N 0.50 4.46 -2.48 5.41 0.00 -1.20 -4.93 120.51 122.28 1ja4 n ALA 107 Ca 0.00 -0.59 -0.32 0.00 0.00 0.00 0.00 53.44 52.54 1ja4 n ALA 107 Cb 0.38 -0.76 -0.13 0.00 0.00 0.00 0.00 19.45 18.94 1ja4 n ALA 107 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ja4 s TRP 108 N -3.07 2.66 0.06 0.00 0.51 -0.94 -5.07 118.94 113.09 1ja4 s TRP 108 Ca 0.06 -0.19 -0.10 0.00 -2.12 0.00 0.00 56.10 53.75 1ja4 s TRP 108 Cb 0.16 -1.56 -0.29 0.00 -0.81 0.00 0.00 33.47 30.96 1ja4 s TRP 108 CO 0.87 0.22 1.11 -0.39 -0.51 0.00 0.00 176.95 178.25 1ja4 h VAL 109 N 4.14 1.39 0.00 4.03 -1.51 -1.91 -3.38 116.25 119.00 1ja4 h VAL 109 Ca -0.47 -2.80 -0.01 0.00 -1.23 0.00 0.00 66.70 62.20 1ja4 h VAL 109 Cb 1.15 2.89 -0.00 0.00 -2.13 0.00 0.00 31.29 33.21 1ja4 h VAL 109 CO 0.50 0.83 -0.08 0.00 -1.23 0.00 0.00 177.57 177.58 1ja4 h ALA 110 N 0.41 0.01 -0.81 5.19 0.00 -1.97 -3.36 119.26 118.73 1ja4 h ALA 110 Ca -0.18 -0.17 0.21 0.00 0.00 0.00 0.00 54.91 54.78 1ja4 h ALA 110 Cb 1.99 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.81 1ja4 h ALA 110 CO 0.23 0.07 0.56 2.35 0.00 0.00 0.00 179.25 182.46 1ja4 h TRP 111 N -1.00 0.18 0.12 0.00 7.01 -1.88 8.76 115.95 129.13 1ja4 h TRP 111 Ca -0.01 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.01 1ja4 h TRP 111 Cb 0.26 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.24 1ja4 h TRP 111 CO 0.03 0.05 -0.24 -0.09 -2.79 0.00 0.00 178.44 175.40 1ja4 h ARG 112 N 0.13 -0.43 0.00 2.65 2.43 -1.75 1.83 114.38 119.24 1ja4 h ARG 112 Ca 0.40 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.51 1ja4 h ARG 112 Cb 1.36 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.99 1ja4 h ARG 112 CO -0.06 -0.29 -1.63 0.27 -1.51 0.00 0.00 179.97 176.75 1ja4 n ASN 113 N -5.36 2.27 0.09 -3.80 2.04 -0.07 -3.37 115.26 107.05 1ja4 n ASN 113 Ca -0.07 0.00 0.02 0.00 -0.44 0.00 0.00 54.58 54.09 1ja4 n ASN 113 Cb 0.28 1.24 -0.02 0.00 -2.53 0.00 0.00 39.78 38.74 1ja4 n ASN 113 CO 0.00 0.00 0.00 0.03 -0.44 0.00 0.00 177.26 176.85 1ja4 h ARG 114 N 0.00 0.00 0.00 -3.83 3.08 1.87 -3.39 114.38 112.11 1ja4 h ARG 114 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1ja4 h ARG 114 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1ja4 h ARG 114 CO 0.01 0.40 0.00 0.00 -1.07 0.00 0.00 179.97 179.31 1ja4 s LYS 116 N -0.05 3.52 0.00 0.00 2.20 0.60 -4.14 119.74 121.88 1ja4 s LYS 116 Ca 0.00 -0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 1ja4 s LYS 116 Cb 0.00 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 1ja4 s LYS 116 CO 0.00 0.71 0.00 0.41 -0.36 0.00 0.00 175.35 176.11 1ja4 n GLY 117 N 1.47 1.58 3.90 5.54 0.00 -1.26 -4.90 105.19 111.52 1ja4 n GLY 117 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1ja4 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ja4 s THR 118 N -3.59 2.47 -0.31 2.61 -4.23 -1.26 -4.95 115.64 106.37 1ja4 s THR 118 Ca 0.00 0.13 -0.29 0.00 -1.18 0.00 0.00 61.69 60.35 1ja4 s THR 118 Cb 0.00 -3.15 -0.01 0.00 1.34 0.00 0.00 72.50 70.69 1ja4 s THR 118 CO 0.00 -0.19 1.48 -0.62 -0.54 0.00 0.00 174.62 174.75 1ja4 s ASP 119 N -4.51 6.40 -0.18 3.99 2.15 -1.26 -4.80 116.67 118.46 1ja4 s ASP 119 Ca 0.61 1.22 0.16 0.00 0.43 0.00 0.00 52.55 54.97 1ja4 s ASP 119 Cb -0.11 -2.54 -0.22 0.00 -0.30 0.00 0.00 42.92 39.75 1ja4 s ASP 119 CO 0.50 -1.31 0.06 1.33 -0.17 0.00 0.00 175.17 175.58 1ja4 n VAL 120 N 6.67 1.24 0.33 1.11 0.24 -1.26 -4.25 118.33 122.40 1ja4 n VAL 120 Ca 0.17 -0.77 0.18 0.00 -2.04 0.00 0.00 64.34 61.88 1ja4 n VAL 120 Cb 0.47 -0.51 0.95 0.00 -1.47 0.00 0.00 33.84 33.27 1ja4 n VAL 120 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1ja4 h GLN 121 N 0.00 0.00 0.00 7.34 7.50 -1.87 0.63 115.11 128.71 1ja4 h GLN 121 Ca -0.49 0.00 -0.12 0.00 0.50 0.00 0.00 58.65 58.54 1ja4 h GLN 121 Cb 2.12 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 29.63 1ja4 h GLN 121 CO 0.03 0.00 -0.57 0.00 -1.50 0.00 0.00 178.83 176.79 1ja4 h ALA 122 N 1.57 0.68 0.00 3.87 0.00 -1.96 -3.00 119.26 120.41 1ja4 h ALA 122 Ca 0.01 -0.51 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 1ja4 h ALA 122 Cb 0.45 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1ja4 h ALA 122 CO -0.00 0.71 -0.63 -1.49 0.00 0.00 0.00 179.25 177.84 1ja4 h TRP 123 N 0.00 0.00 -0.20 0.00 4.06 -1.10 -2.71 115.95 116.00 1ja4 h TRP 123 Ca -0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1ja4 h TRP 123 Cb 1.36 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.52 1ja4 h TRP 123 CO 0.00 0.63 0.00 0.44 -3.56 0.00 0.00 178.44 175.95 1ja4 n ILE 124 N -3.58 0.26 -2.96 1.49 -5.35 -1.22 -4.90 119.36 103.10 1ja4 n ILE 124 Ca -0.00 -0.38 -0.29 0.00 -0.27 0.00 0.00 62.75 61.81 1ja4 n ILE 124 Cb 0.67 0.39 -0.02 0.00 -1.74 0.00 0.00 39.64 38.94 1ja4 n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1ja4 s ARG 125 N -1.74 3.66 0.00 6.28 3.52 -1.02 -4.15 118.95 125.50 1ja4 s ARG 125 Ca 0.32 0.23 0.00 0.00 -0.13 0.00 0.00 55.73 56.15 1ja4 s ARG 125 Cb 0.17 -2.47 0.00 0.00 -1.56 0.00 0.00 34.95 31.09 1ja4 s ARG 125 CO 0.25 0.00 0.00 0.41 -0.81 0.00 0.00 175.30 175.16 1ja4 n GLY 126 N -1.46 0.73 3.48 8.12 0.00 -1.26 -4.98 105.19 109.82 1ja4 n GLY 126 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1ja4 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ja4 s ARG 128 N -3.65 3.40 0.00 0.00 3.52 -1.26 -5.10 118.95 115.86 1ja4 s ARG 128 Ca 0.30 -0.21 0.14 0.00 -0.13 0.00 0.00 55.73 55.84 1ja4 s ARG 128 Cb 0.02 -3.13 0.11 0.00 -1.56 0.00 0.00 34.95 30.39 1ja4 s ARG 128 CO 0.14 0.74 0.95 1.28 -0.81 0.00 0.00 175.30 177.60