#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jse s VAL 2 N 0.00 4.95 0.49 3.15 1.01 -1.26 -0.75 120.40 127.99 1jse s VAL 2 Ca 0.00 -0.39 -0.19 0.00 0.00 0.00 0.00 61.98 61.40 1jse s VAL 2 Cb 0.00 -3.57 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 1jse s VAL 2 CO 0.00 -0.02 1.00 -0.31 0.00 0.00 0.00 175.10 175.77 1jse s TYR 3 N 1.66 3.18 0.63 5.22 1.51 -0.38 -5.00 117.35 124.18 1jse s TYR 3 Ca 0.05 1.56 -0.12 0.00 -1.01 0.00 0.00 57.07 57.55 1jse s TYR 3 Cb -0.18 -2.94 -0.03 0.00 -0.11 0.00 0.00 41.96 38.71 1jse s TYR 3 CO 0.08 -0.55 1.04 0.20 -1.11 0.00 0.00 175.55 175.21 1jse s GLY 4 N -2.35 1.75 0.10 0.71 0.00 -1.26 -4.83 107.32 101.44 1jse s GLY 4 Ca 0.64 0.05 -0.29 0.00 0.00 0.00 0.00 44.72 45.12 1jse s GLY 4 CO 0.22 0.34 1.64 -0.09 0.00 0.00 0.00 173.10 175.20 1jse h ARG 5 N -0.26 -0.56 0.00 2.90 2.43 -1.97 -0.24 114.38 116.68 1jse h ARG 5 Ca -0.44 0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 58.63 1jse h ARG 5 Cb 1.20 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 1jse h ARG 5 CO 0.60 -0.38 -0.65 0.00 -1.51 0.00 0.00 179.97 178.03 1jse h GLU 7 N 0.00 0.73 -0.44 0.00 4.81 -1.91 -1.22 114.58 116.55 1jse h GLU 7 Ca -0.01 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 1jse h GLU 7 Cb 1.20 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1jse h GLU 7 CO 0.08 0.55 -0.00 1.25 -0.73 0.00 0.00 179.01 180.17 1jse h LEU 8 N 0.71 0.77 -0.66 1.64 5.85 -0.87 -2.10 115.31 120.65 1jse h LEU 8 Ca 0.19 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.66 1jse h LEU 8 Cb 0.03 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.79 1jse h LEU 8 CO -0.03 0.89 0.35 0.00 -0.34 0.00 0.00 178.44 179.31 1jse h ALA 9 N 0.91 0.88 -0.50 1.25 0.00 -0.96 0.11 119.26 120.95 1jse h ALA 9 Ca 0.13 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1jse h ALA 9 Cb 0.50 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1jse h ALA 9 CO 0.02 0.01 0.08 0.00 0.00 0.00 0.00 179.25 179.36 1jse h ALA 10 N 1.36 0.66 -0.65 0.00 0.00 -1.13 -0.47 119.26 119.04 1jse h ALA 10 Ca 0.30 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1jse h ALA 10 Cb 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1jse h ALA 10 CO -0.20 0.40 0.17 0.00 0.00 0.00 0.00 179.25 179.63 1jse h ALA 11 N 0.97 1.08 -0.47 0.00 0.00 -0.82 -1.48 119.26 118.55 1jse h ALA 11 Ca 0.15 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1jse h ALA 11 Cb 0.40 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1jse h ALA 11 CO 0.01 0.62 -0.25 0.52 0.00 0.00 0.00 179.25 180.15 1jse h MET 12 N 0.97 0.99 -0.50 0.00 2.86 -0.83 -2.99 114.93 115.43 1jse h MET 12 Ca 0.21 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1jse h MET 12 Cb 0.32 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1jse h MET 12 CO -0.00 1.12 0.32 -0.22 1.06 0.00 0.00 176.91 179.18 1jse h LYS 13 N 0.84 0.67 0.00 1.72 3.64 -0.85 -2.31 116.57 120.30 1jse h LYS 13 Ca 0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1jse h LYS 13 Cb 0.83 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1jse h LYS 13 CO 0.07 0.47 0.00 0.00 -2.27 0.00 0.00 179.45 177.72 1jse h ARG 14 N 0.68 0.00 -0.51 1.90 3.08 -1.16 -2.36 114.38 116.01 1jse h ARG 14 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1jse h ARG 14 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1jse h ARG 14 CO -0.04 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.14 1jse n LEU 15 N -2.35 3.57 0.00 3.04 4.77 -0.89 -4.98 117.00 120.16 1jse n LEU 15 Ca 0.01 -1.71 0.00 0.00 -0.03 0.00 0.00 56.01 54.27 1jse n LEU 15 Cb 0.17 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1jse n LEU 15 CO 0.17 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 1jse n GLY 16 N 1.45 0.68 0.16 -0.72 0.00 -0.89 -4.98 105.19 100.89 1jse n GLY 16 Ca 0.20 -0.56 0.07 0.00 0.00 0.00 0.00 46.02 45.73 1jse n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jse h LEU 17 N 0.00 0.00 -9.31 0.99 3.38 -1.69 -3.41 115.31 105.26 1jse h LEU 17 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1jse h LEU 17 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jse h LEU 17 CO 0.00 0.25 1.08 -0.62 0.09 0.00 0.00 178.44 179.24 1jse s ASP 18 N -6.08 6.64 -0.84 -0.43 2.15 -1.26 -1.98 116.67 114.86 1jse s ASP 18 Ca 0.03 2.33 0.00 0.00 0.43 0.00 0.00 52.55 55.34 1jse s ASP 18 Cb 0.07 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1jse s ASP 18 CO 0.74 -0.93 0.00 0.59 -0.17 0.00 0.00 175.17 175.40 1jse n ASN 19 N 6.84 -3.71 -4.67 -0.34 3.02 -0.44 -4.88 115.26 111.08 1jse n ASN 19 Ca 0.17 0.14 -0.43 0.00 -0.03 0.00 0.00 54.58 54.44 1jse n ASN 19 Cb 0.42 -2.25 -0.02 0.00 -0.61 0.00 0.00 39.78 37.32 1jse n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1jse s TYR 20 N -2.34 3.00 -1.53 3.10 5.04 -0.84 -2.62 117.35 121.16 1jse s TYR 20 Ca 0.00 1.13 -0.14 0.00 -2.44 0.00 0.00 57.07 55.62 1jse s TYR 20 Cb 0.00 -3.45 0.09 0.00 0.35 0.00 0.00 41.96 38.95 1jse s TYR 20 CO 0.00 -1.42 0.88 0.54 -1.34 0.00 0.00 175.55 174.21 1jse n ARG 21 N 6.26 -4.94 -1.00 4.97 1.74 -1.26 -1.36 116.66 121.06 1jse n ARG 21 Ca 0.13 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 1jse n ARG 21 Cb 0.45 -5.42 0.00 0.00 -1.02 0.00 0.00 32.46 26.47 1jse n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jse n GLY 22 N -1.58 0.77 3.55 -0.13 0.00 -1.08 -5.02 105.19 101.71 1jse n GLY 22 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1jse n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jse s TYR 23 N -3.10 3.22 0.77 1.61 2.02 -0.47 -4.92 117.35 116.50 1jse s TYR 23 Ca 0.00 -0.05 -0.12 0.00 -0.37 0.00 0.00 57.07 56.53 1jse s TYR 23 Cb 0.00 -2.48 0.06 0.00 -0.40 0.00 0.00 41.96 39.15 1jse s TYR 23 CO 0.00 -0.30 1.13 -1.54 -1.57 0.00 0.00 175.55 173.27 1jse s SER 24 N 1.73 4.20 0.28 2.29 1.04 -1.26 -1.33 113.70 120.64 1jse s SER 24 Ca 0.08 2.04 0.01 0.00 0.48 0.00 0.00 55.95 58.56 1jse s SER 24 Cb -0.17 -2.55 0.61 0.00 0.10 0.00 0.00 66.02 64.01 1jse s SER 24 CO 0.11 -2.24 1.75 0.25 0.98 0.00 0.00 173.24 174.09 1jse h LEU 25 N -0.91 0.56 -2.25 2.42 5.85 -1.90 -1.39 115.31 117.69 1jse h LEU 25 Ca -0.45 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.41 1jse h LEU 25 Cb 1.25 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 1jse h LEU 25 CO 0.49 0.20 0.11 1.23 -0.34 0.00 0.00 178.44 180.13 1jse h GLY 26 N 0.62 0.00 0.78 3.75 0.00 -1.91 -1.56 103.07 104.75 1jse h GLY 26 Ca 0.51 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.88 1jse h GLY 26 CO -0.39 0.00 0.32 3.43 0.00 0.00 0.00 176.54 179.90 1jse h ASN 27 N 0.00 0.50 -0.27 0.19 2.35 -1.48 -0.55 115.58 116.32 1jse h ASN 27 Ca 0.05 0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.67 1jse h ASN 27 Cb 0.28 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1jse h ASN 27 CO -0.00 0.34 -0.40 -0.50 -1.65 0.00 0.00 177.43 175.22 1jse h TRP 28 N 0.63 0.98 -0.32 1.19 4.06 -1.43 -0.45 115.95 120.62 1jse h TRP 28 Ca 0.25 -0.29 -0.04 0.00 2.06 0.00 0.00 58.89 60.87 1jse h TRP 28 Cb 0.10 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.04 1jse h TRP 28 CO -0.08 1.08 0.05 0.28 -3.56 0.00 0.00 178.44 176.22 1jse h VAL 29 N 0.67 1.23 -0.60 1.49 2.07 -1.35 -1.72 116.25 118.03 1jse h VAL 29 Ca 0.05 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 1jse h VAL 29 Cb 0.96 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1jse h VAL 29 CO 0.09 0.27 0.27 0.00 0.02 0.00 0.00 177.57 178.21 1jse h ALA 31 N 1.11 0.41 -0.88 0.00 0.00 -0.98 -2.04 119.26 116.87 1jse h ALA 31 Ca 0.20 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1jse h ALA 31 Cb 0.16 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1jse h ALA 31 CO -0.02 -0.22 0.58 0.00 0.00 0.00 0.00 179.25 179.59 1jse h ALA 32 N 1.18 1.12 0.11 0.00 0.00 -1.00 -0.17 119.26 120.51 1jse h ALA 32 Ca 0.14 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1jse h ALA 32 Cb 0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1jse h ALA 32 CO -0.11 0.51 -0.12 -0.22 0.00 0.00 0.00 179.25 179.31 1jse h LYS 33 N 1.19 -0.25 0.00 0.00 3.11 -0.73 -1.01 116.57 118.87 1jse h LYS 33 Ca 0.33 0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 58.15 1jse h LYS 33 Cb -0.12 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.16 1jse h LYS 33 CO -0.08 -0.17 -0.14 0.74 -2.81 0.00 0.00 179.45 177.00 1jse h PHE 34 N -0.26 0.00 -0.06 1.91 0.04 -1.22 0.18 116.94 117.54 1jse h PHE 34 Ca 0.01 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.67 1jse h PHE 34 Cb 0.25 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.41 1jse h PHE 34 CO -0.13 0.14 -0.38 0.93 -0.60 0.00 0.00 178.31 178.27 1jse h GLU 35 N 0.00 0.37 0.00 1.51 4.39 -0.97 -3.43 114.58 116.44 1jse h GLU 35 Ca -0.00 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1jse h GLU 35 Cb 1.04 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1jse h GLU 35 CO 0.02 0.96 0.00 -1.13 -1.16 0.00 0.00 179.01 177.70 1jse n SER 36 N -4.37 0.00 -3.05 1.42 3.41 -0.40 -4.87 113.62 105.76 1jse n SER 36 Ca -0.09 -0.89 -0.21 0.00 -0.26 0.00 0.00 58.87 57.42 1jse n SER 36 Cb 0.54 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.51 1jse n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1jse n ASN 37 N 0.00 -4.96 -0.69 4.04 4.05 0.63 -2.15 115.26 116.18 1jse n ASN 37 Ca 0.00 -0.25 -0.09 0.00 0.45 0.00 0.00 54.58 54.69 1jse n ASN 37 Cb 0.22 -4.06 -0.04 0.00 1.23 0.00 0.00 39.78 37.13 1jse n ASN 37 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1jse n PHE 38 N -4.14 0.00 -3.51 1.20 3.72 -1.21 -4.83 117.46 108.69 1jse n PHE 38 Ca -0.09 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.90 1jse n PHE 38 Cb 0.59 -1.81 -0.10 0.00 -0.94 0.00 0.00 39.48 37.22 1jse n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1jse s ASN 39 N -2.85 6.05 0.39 4.37 3.84 -0.91 -1.25 114.94 124.58 1jse s ASN 39 Ca 0.00 -0.61 0.28 0.00 0.21 0.00 0.00 52.86 52.74 1jse s ASN 39 Cb 0.00 -2.14 1.27 0.00 -0.55 0.00 0.00 41.25 39.84 1jse s ASN 39 CO 0.00 -0.31 1.84 0.71 -2.79 0.00 0.00 177.10 176.55 1jse h THR 40 N 5.56 0.00 -0.10 -5.21 1.35 -1.27 -2.60 112.91 110.64 1jse h THR 40 Ca -0.30 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1jse h THR 40 Cb 1.14 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1jse h THR 40 CO 0.67 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 177.35 1jse n HIS 41 N -2.54 0.11 -1.74 4.73 8.25 -1.26 -4.18 115.22 118.60 1jse n HIS 41 Ca 0.00 -0.06 -0.42 0.00 -0.26 0.00 0.00 57.72 56.99 1jse n HIS 41 Cb 0.19 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.28 1jse n HIS 41 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jse n ALA 42 N 0.38 2.43 -3.00 -1.41 0.00 -0.98 -4.80 120.51 113.12 1jse n ALA 42 Ca 0.18 0.38 -0.10 0.00 0.00 0.00 0.00 53.44 53.89 1jse n ALA 42 Cb 0.37 -2.45 -0.11 0.00 0.00 0.00 0.00 19.45 17.26 1jse n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jse s THR 43 N 0.01 0.08 -0.08 0.00 -4.23 -1.26 -0.44 115.64 109.72 1jse s THR 43 Ca 0.65 -0.68 -0.06 0.00 -1.18 0.00 0.00 61.69 60.42 1jse s THR 43 Cb -0.51 -0.27 0.03 0.00 1.34 0.00 0.00 72.50 73.09 1jse s THR 43 CO 0.48 -0.37 0.21 0.20 -0.54 0.00 0.00 174.62 174.60 1jse s ASN 44 N -1.15 -0.21 0.42 3.99 0.01 -0.82 -4.99 114.94 112.18 1jse s ASN 44 Ca -0.13 0.43 -0.23 0.00 -0.71 0.00 0.00 52.86 52.23 1jse s ASN 44 Cb -0.07 0.38 -0.10 0.00 0.41 0.00 0.00 41.25 41.87 1jse s ASN 44 CO -0.00 -0.11 0.99 -0.13 -1.51 0.00 0.00 177.10 176.34 1jse s ARG 45 N 0.64 4.18 0.00 -0.60 1.81 -1.26 -0.73 118.95 122.99 1jse s ARG 45 Ca -0.04 1.31 -0.01 0.00 -1.72 0.00 0.00 55.73 55.27 1jse s ARG 45 Cb -0.06 -2.37 -0.04 0.00 -0.45 0.00 0.00 34.95 32.04 1jse s ARG 45 CO -0.04 -0.09 0.14 -0.80 -0.68 0.00 0.00 175.30 173.83 1jse s ASN 46 N -1.87 6.04 0.00 0.23 0.02 0.52 -4.89 114.94 114.99 1jse s ASN 46 Ca 0.60 0.24 0.04 0.00 -1.02 0.00 0.00 52.86 52.72 1jse s ASN 46 Cb -0.16 -1.82 0.25 0.00 0.02 0.00 0.00 41.25 39.55 1jse s ASN 46 CO 0.20 0.26 0.67 0.35 0.02 0.00 0.00 177.10 178.60 1jse n THR 47 N 0.98 0.00 -0.36 1.60 -2.24 -1.26 -2.35 114.28 110.65 1jse n THR 47 Ca -0.11 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.71 1jse n THR 47 Cb 0.52 -0.45 0.11 0.00 -2.10 0.00 0.00 70.33 68.42 1jse n THR 47 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1jse n ASP 48 N -0.66 2.62 0.00 3.42 5.68 -1.26 -4.97 116.55 121.38 1jse n ASP 48 Ca 0.03 -2.31 0.00 0.00 -0.50 0.00 0.00 54.79 52.01 1jse n ASP 48 Cb 0.01 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 1jse n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jse n GLY 49 N -0.32 1.94 3.93 6.12 0.00 -0.99 -5.00 105.19 110.88 1jse n GLY 49 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1jse n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jse s SER 50 N -2.37 5.33 0.02 1.61 1.04 -1.26 -4.65 113.70 113.42 1jse s SER 50 Ca 0.00 0.48 0.02 0.00 0.48 0.00 0.00 55.95 56.93 1jse s SER 50 Cb 0.00 -1.37 -0.02 0.00 0.10 0.00 0.00 66.02 64.73 1jse s SER 50 CO 0.00 -1.20 -0.07 -0.89 0.98 0.00 0.00 173.24 172.05 1jse s THR 51 N -2.99 0.53 -0.17 2.02 2.01 -1.26 -0.35 115.64 115.43 1jse s THR 51 Ca 0.56 -0.71 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 1jse s THR 51 Cb -0.10 -0.53 -0.05 0.00 0.01 0.00 0.00 72.50 71.83 1jse s THR 51 CO 0.43 -0.14 0.19 -1.81 -0.69 0.00 0.00 174.62 172.60 1jse s ASP 52 N -0.93 6.33 -0.05 3.53 1.01 0.09 -1.39 116.67 125.26 1jse s ASP 52 Ca -0.04 0.38 0.06 0.00 0.71 0.00 0.00 52.55 53.65 1jse s ASP 52 Cb -0.06 -2.12 -0.01 0.00 1.01 0.00 0.00 42.92 41.73 1jse s ASP 52 CO 0.00 0.19 -0.22 -0.31 0.21 0.00 0.00 175.17 175.04 1jse s TYR 53 N 0.14 2.15 0.00 4.23 2.02 -0.08 -1.95 117.35 123.87 1jse s TYR 53 Ca 0.12 -0.59 0.00 0.00 -0.37 0.00 0.00 57.07 56.23 1jse s TYR 53 Cb -0.12 -1.41 0.00 0.00 -0.40 0.00 0.00 41.96 40.03 1jse s TYR 53 CO 0.01 -0.17 0.00 0.41 -1.57 0.00 0.00 175.55 174.24 1jse n GLY 54 N 2.92 -1.99 0.26 0.71 0.00 0.42 -1.82 105.19 105.69 1jse n GLY 54 Ca -0.17 -1.46 0.10 0.00 0.00 0.00 0.00 46.02 44.48 1jse n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jse h ILE 55 N 0.00 0.86 -0.28 -0.61 2.10 -1.74 -1.81 117.51 116.03 1jse h ILE 55 Ca 0.00 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.75 1jse h ILE 55 Cb 0.00 1.11 0.00 0.00 -1.09 0.00 0.00 36.82 36.84 1jse h ILE 55 CO 0.00 0.05 0.00 0.18 -1.08 0.00 0.00 178.15 177.30 1jse n LEU 56 N -4.22 2.74 -3.68 2.19 4.77 -1.26 -4.12 117.00 113.43 1jse n LEU 56 Ca -0.03 -2.00 -0.25 0.00 -0.03 0.00 0.00 56.01 53.70 1jse n LEU 56 Cb 0.14 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1jse n LEU 56 CO 0.32 0.68 -0.09 0.00 -1.33 0.00 0.00 177.39 176.98 1jse n GLN 57 N 0.30 -2.93 -3.02 3.23 1.13 -0.68 -4.92 117.38 110.50 1jse n GLN 57 Ca 0.09 0.55 -0.40 0.00 -1.94 0.00 0.00 57.00 55.30 1jse n GLN 57 Cb 0.39 -4.73 -0.05 0.00 0.11 0.00 0.00 30.24 25.96 1jse n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jse s ILE 58 N -3.61 5.01 0.23 5.09 1.01 -0.75 -4.44 121.20 123.74 1jse s ILE 58 Ca 0.24 1.51 -0.08 0.00 0.00 0.00 0.00 60.65 62.32 1jse s ILE 58 Cb -0.07 -4.07 -0.06 0.00 0.01 0.00 0.00 42.46 38.27 1jse s ILE 58 CO 0.84 0.25 0.52 0.21 0.00 0.00 0.00 174.94 176.76 1jse s ASN 59 N 0.75 6.56 0.00 3.58 2.47 -1.26 -0.90 114.94 126.13 1jse s ASN 59 Ca 0.39 0.82 0.29 0.00 0.42 0.00 0.00 52.86 54.77 1jse s ASN 59 Cb -0.18 -2.18 1.21 0.00 -1.45 0.00 0.00 41.25 38.64 1jse s ASN 59 CO 0.19 -0.09 1.84 -1.54 -3.72 0.00 0.00 177.10 173.79 1jse n SER 60 N -0.32 0.59 -0.03 -4.21 3.41 -0.48 -1.89 113.62 110.69 1jse n SER 60 Ca -0.00 -0.73 -0.15 0.00 -0.26 0.00 0.00 58.87 57.73 1jse n SER 60 Cb 0.53 -0.04 -0.09 0.00 -0.26 0.00 0.00 64.21 64.35 1jse n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1jse h ARG 61 N 0.77 0.37 0.00 4.33 2.43 -1.85 -3.41 114.38 117.02 1jse h ARG 61 Ca 0.00 -0.29 -0.28 0.00 -0.81 0.00 0.00 59.98 58.61 1jse h ARG 61 Cb 0.36 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 1jse h ARG 61 CO 0.00 0.92 -2.05 0.91 -1.51 0.00 0.00 179.97 178.23 1jse n TRP 62 N -4.41 0.00 -0.06 2.20 7.02 -1.25 -1.24 117.44 119.70 1jse n TRP 62 Ca -0.08 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.32 1jse n TRP 62 Cb 0.50 -0.73 -0.07 0.00 -2.42 0.00 0.00 31.31 28.59 1jse n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1jse n TRP 63 N -2.85 0.00 -4.10 -5.99 7.02 -0.79 -1.03 117.44 109.69 1jse n TRP 63 Ca -0.30 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.08 1jse n TRP 63 Cb 0.91 -0.52 -0.10 0.00 -2.42 0.00 0.00 31.31 29.17 1jse n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jse s ASN 65 N -2.47 5.49 0.00 0.00 2.47 -0.89 -4.35 114.94 115.19 1jse s ASN 65 Ca 0.02 -0.05 0.19 0.00 0.42 0.00 0.00 52.86 53.44 1jse s ASN 65 Cb 0.01 -1.97 0.30 0.00 -1.45 0.00 0.00 41.25 38.13 1jse s ASN 65 CO -0.05 0.06 1.24 -0.90 -3.72 0.00 0.00 177.10 173.73 1jse n ASP 66 N 4.33 3.01 0.00 -4.21 5.68 -1.26 -1.32 116.55 122.78 1jse n ASP 66 Ca -0.16 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.24 1jse n ASP 66 Cb 0.52 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 1jse n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jse n GLY 67 N 1.17 0.37 0.00 6.12 0.00 -1.26 -4.76 105.19 106.84 1jse n GLY 67 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1jse n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1jse n ARG 68 N -1.49 0.65 -3.68 1.61 1.85 -1.26 -5.03 116.66 109.31 1jse n ARG 68 Ca 0.00 -0.66 -0.39 0.00 -1.00 0.00 0.00 57.85 55.80 1jse n ARG 68 Cb 0.13 -0.68 -0.12 0.00 -1.05 0.00 0.00 32.46 30.74 1jse n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1jse s THR 69 N -0.25 4.08 0.26 8.89 2.01 -1.26 -4.97 115.64 124.39 1jse s THR 69 Ca 0.00 -1.10 -0.30 0.00 0.31 0.00 0.00 61.69 60.59 1jse s THR 69 Cb 0.00 -3.33 -0.11 0.00 0.01 0.00 0.00 72.50 69.06 1jse s THR 69 CO 0.00 -0.25 1.59 -2.16 -0.69 0.00 0.00 174.62 173.11 1jse s PRO 70 N 1.45 4.16 -0.86 4.92 0.04 -1.26 -2.59 135.00 140.84 1jse s PRO 70 Ca 0.00 2.52 0.00 0.00 0.04 0.00 0.00 61.00 63.56 1jse s PRO 70 Cb -0.20 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1jse s PRO 70 CO 0.04 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1jse n GLY 71 N 2.65 0.87 3.65 0.56 0.00 -1.26 -4.97 105.19 106.69 1jse n GLY 71 Ca 0.10 -0.64 -0.45 0.00 0.00 0.00 0.00 46.02 45.02 1jse n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jse n SER 72 N 0.61 2.46 0.11 1.61 2.88 -1.07 -4.88 113.62 115.34 1jse n SER 72 Ca -0.09 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.72 1jse n SER 72 Cb 0.32 -1.39 0.13 0.00 -0.75 0.00 0.00 64.21 62.52 1jse n SER 72 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1jse h LYS 73 N 3.90 0.00 -6.63 -1.46 3.11 -1.35 -3.48 116.57 110.65 1jse h LYS 73 Ca -0.45 0.00 -0.53 0.00 -2.81 0.00 0.00 60.65 56.87 1jse h LYS 73 Cb 1.29 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.47 1jse h LYS 73 CO 0.73 0.00 -0.93 -1.71 -2.81 0.00 0.00 179.45 174.73 1jse n ASN 74 N -2.49 -1.51 0.26 4.20 5.15 -1.09 -4.85 115.26 114.93 1jse n ASN 74 Ca 0.02 -1.11 0.12 0.00 -0.60 0.00 0.00 54.58 53.02 1jse n ASN 74 Cb 0.49 -2.61 0.68 0.00 -0.53 0.00 0.00 39.78 37.82 1jse n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1jse h LEU 75 N -1.96 0.00 -0.24 1.20 3.38 -0.99 -1.62 115.31 115.09 1jse h LEU 75 Ca -0.66 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1jse h LEU 75 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1jse h LEU 75 CO 0.60 0.14 -0.15 0.00 0.09 0.00 0.00 178.44 179.12 1jse n ASN 77 N -0.97 -3.76 -3.73 0.00 3.02 -0.61 -4.97 115.26 104.24 1jse n ASN 77 Ca 0.13 -0.81 -0.14 0.00 -0.03 0.00 0.00 54.58 53.73 1jse n ASN 77 Cb 0.29 -4.34 -0.09 0.00 -0.61 0.00 0.00 39.78 35.04 1jse n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1jse s ILE 78 N -3.51 0.04 0.35 2.41 -4.36 -1.26 -5.09 121.20 109.77 1jse s ILE 78 Ca 0.24 -0.36 -0.27 0.00 -0.26 0.00 0.00 60.65 60.00 1jse s ILE 78 Cb -0.06 -0.64 -0.09 0.00 1.25 0.00 0.00 42.46 42.92 1jse s ILE 78 CO 0.79 -0.20 1.15 -2.16 0.24 0.00 0.00 174.94 174.76 1jse s PRO 79 N -1.09 4.33 0.54 0.37 0.04 -1.26 -2.09 135.00 135.83 1jse s PRO 79 Ca -0.11 1.84 0.20 0.00 0.04 0.00 0.00 61.00 62.96 1jse s PRO 79 Cb -0.04 -2.90 1.39 0.00 0.04 0.00 0.00 34.50 32.98 1jse s PRO 79 CO 0.04 -0.08 2.14 0.00 0.04 0.00 0.00 177.00 179.14 1jse h SER 81 N 0.00 0.00 0.74 0.00 4.64 -1.91 -0.57 113.55 116.44 1jse h SER 81 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1jse h SER 81 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1jse h SER 81 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1jse h ALA 82 N 1.81 1.00 -0.00 5.18 0.00 -1.67 -2.24 119.26 123.35 1jse h ALA 82 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1jse h ALA 82 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1jse h ALA 82 CO -0.00 0.00 -0.03 1.28 0.00 0.00 0.00 179.25 180.49 1jse n LEU 83 N -2.85 0.40 -0.89 0.00 4.77 -0.22 -3.62 117.00 114.58 1jse n LEU 83 Ca 0.00 -0.04 0.11 0.00 -0.03 0.00 0.00 56.01 56.04 1jse n LEU 83 Cb 0.24 -0.09 0.11 0.00 -2.33 0.00 0.00 43.42 41.34 1jse n LEU 83 CO 0.23 0.07 0.61 0.18 -1.33 0.00 0.00 177.39 177.15 1jse n LEU 84 N -0.83 2.89 -4.75 2.23 4.77 -0.84 -4.04 117.00 116.43 1jse n LEU 84 Ca 0.19 -1.12 -0.33 0.00 -0.03 0.00 0.00 56.01 54.72 1jse n LEU 84 Cb 0.22 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.33 1jse n LEU 84 CO 0.20 0.53 0.74 -0.94 -1.33 0.00 0.00 177.39 176.59 1jse s SER 85 N -1.68 4.61 0.40 -1.43 1.04 -1.24 -4.43 113.70 110.98 1jse s SER 85 Ca 0.27 2.04 0.18 0.00 0.48 0.00 0.00 55.95 58.93 1jse s SER 85 Cb 0.18 -2.55 0.85 0.00 0.10 0.00 0.00 66.02 64.60 1jse s SER 85 CO 0.27 -1.97 1.83 0.77 0.98 0.00 0.00 173.24 175.12 1jse h SER 86 N -0.45 0.00 -3.31 7.02 4.64 -1.94 -3.41 113.55 116.10 1jse h SER 86 Ca -0.46 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.28 1jse h SER 86 Cb 1.25 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.27 1jse h SER 86 CO 0.52 0.33 0.36 -0.62 -0.87 0.00 0.00 176.83 176.55 1jse s ASP 87 N -6.54 6.94 0.00 4.97 -1.08 -1.26 -4.95 116.67 114.75 1jse s ASP 87 Ca -0.01 1.16 0.21 0.00 -0.52 0.00 0.00 52.55 53.38 1jse s ASP 87 Cb 0.13 -2.45 0.82 0.00 -1.46 0.00 0.00 42.92 39.96 1jse s ASP 87 CO 0.68 -0.38 1.59 2.30 0.52 0.00 0.00 175.17 179.88 1jse n ILE 88 N 4.70 0.17 -0.16 4.11 -5.35 -1.26 -4.41 119.36 117.16 1jse n ILE 88 Ca 0.04 -0.30 -0.04 0.00 -0.27 0.00 0.00 62.75 62.19 1jse n ILE 88 Cb 0.49 0.29 0.03 0.00 -1.74 0.00 0.00 39.64 38.71 1jse n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1jse h THR 89 N 1.94 0.37 -0.53 7.28 2.02 -1.94 -0.56 112.91 121.48 1jse h THR 89 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1jse h THR 89 Cb 0.42 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1jse h THR 89 CO 0.00 0.00 0.10 0.00 0.37 0.00 0.00 175.52 175.99 1jse h ALA 90 N 1.29 0.70 -0.54 6.16 0.00 -1.85 -0.70 119.26 124.31 1jse h ALA 90 Ca 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jse h ALA 90 Cb 0.45 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1jse h ALA 90 CO -0.56 0.43 0.35 0.77 0.00 0.00 0.00 179.25 180.23 1jse h SER 91 N 0.75 0.63 -0.41 0.00 0.02 -1.68 -1.87 113.55 111.00 1jse h SER 91 Ca 0.16 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1jse h SER 91 Cb 0.38 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1jse h SER 91 CO 0.01 0.47 0.05 0.58 -1.14 0.00 0.00 176.83 176.80 1jse h VAL 92 N 0.73 1.25 -0.70 2.27 2.07 -0.82 0.10 116.25 121.14 1jse h VAL 92 Ca 0.20 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1jse h VAL 92 Cb -0.06 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1jse h VAL 92 CO -0.04 0.32 0.30 0.78 0.02 0.00 0.00 177.57 178.94 1jse h ASN 93 N 0.54 0.94 -0.37 0.57 2.35 -1.03 -1.42 115.58 117.15 1jse h ASN 93 Ca 0.12 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1jse h ASN 93 Cb 0.41 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1jse h ASN 93 CO 0.01 0.82 -0.13 0.00 -1.65 0.00 0.00 177.43 176.49 1jse h ALA 95 N 0.82 1.82 -0.64 0.00 0.00 -0.48 -0.85 119.26 119.92 1jse h ALA 95 Ca 0.09 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1jse h ALA 95 Cb 0.66 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1jse h ALA 95 CO 0.04 0.09 0.18 0.87 0.00 0.00 0.00 179.25 180.43 1jse h LYS 96 N 0.57 0.99 -0.49 0.00 1.57 -1.21 -0.75 116.57 117.25 1jse h LYS 96 Ca 0.25 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 1jse h LYS 96 Cb 0.25 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1jse h LYS 96 CO -0.07 0.87 -0.05 0.87 -0.57 0.00 0.00 179.45 180.50 1jse h LYS 97 N 0.95 0.89 -0.38 3.15 1.57 -1.17 -2.46 116.57 119.12 1jse h LYS 97 Ca 0.21 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1jse h LYS 97 Cb 0.31 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1jse h LYS 97 CO -0.00 0.95 0.23 0.82 -0.57 0.00 0.00 179.45 180.88 1jse h ILE 98 N 0.75 1.12 0.00 1.86 2.04 -1.01 -2.40 117.51 119.87 1jse h ILE 98 Ca 0.13 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1jse h ILE 98 Cb 0.58 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1jse h ILE 98 CO 0.03 0.12 0.00 0.00 0.00 0.00 0.00 178.15 178.31 1jse n ALA 99 N -2.22 1.88 1.21 1.87 0.00 -0.32 -1.92 120.51 121.00 1jse n ALA 99 Ca 0.00 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.51 1jse n ALA 99 Cb 0.05 -1.30 0.56 0.00 0.00 0.00 0.00 19.45 18.76 1jse n ALA 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jse n SER 100 N -1.44 0.27 -4.62 0.00 7.64 -0.91 -4.14 113.62 110.43 1jse n SER 100 Ca 0.06 -0.13 -0.29 0.00 1.01 0.00 0.00 58.87 59.52 1jse n SER 100 Cb 0.20 -0.17 0.19 0.00 -1.01 0.00 0.00 64.21 63.42 1jse n SER 100 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1jse s GLY 101 N -2.75 1.58 0.28 0.23 0.00 -0.81 -4.91 107.32 100.93 1jse s GLY 101 Ca 0.21 -0.15 -0.00 0.00 0.00 0.00 0.00 44.72 44.77 1jse s GLY 101 CO 0.53 0.46 1.85 -1.33 0.00 0.00 0.00 173.10 174.62 1jse h GLY 102 N -2.09 1.60 -0.98 0.20 0.00 -1.89 -2.06 103.07 97.85 1jse h GLY 102 Ca -0.55 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.33 1jse h GLY 102 CO 0.53 0.24 0.00 1.16 0.00 0.00 0.00 176.54 178.47 1jse n ASN 103 N -4.57 1.83 0.00 0.19 6.94 -1.26 -5.01 115.26 113.38 1jse n ASN 103 Ca 0.18 -1.76 0.00 0.00 -0.02 0.00 0.00 54.58 52.98 1jse n ASN 103 Cb 0.28 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 1jse n ASN 103 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jse n GLY 104 N 1.16 3.12 0.00 4.83 0.00 -0.78 -1.46 105.19 112.07 1jse n GLY 104 Ca 0.16 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 46.07 1jse n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jse n MET 105 N 14.00 0.12 0.05 1.61 2.81 -1.26 -2.64 117.12 131.80 1jse n MET 105 Ca 0.00 0.16 0.05 0.00 -1.81 0.00 0.00 57.70 56.09 1jse n MET 105 Cb 0.00 -1.50 0.23 0.00 -0.71 0.00 0.00 33.22 31.24 1jse n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1jse n ASN 106 N -1.40 0.18 0.27 7.83 3.02 -0.53 -1.49 115.26 123.14 1jse n ASN 106 Ca 0.06 0.57 0.12 0.00 -0.03 0.00 0.00 54.58 55.30 1jse n ASN 106 Cb 0.18 -0.60 0.76 0.00 -0.61 0.00 0.00 39.78 39.51 1jse n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jse h ALA 107 N 2.11 1.61 -2.21 5.41 0.00 -1.67 -3.37 119.26 121.14 1jse h ALA 107 Ca 0.00 -0.04 -0.69 0.00 0.00 0.00 0.00 54.91 54.17 1jse h ALA 107 Cb 0.07 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 17.67 1jse h ALA 107 CO 0.00 0.06 -0.09 -1.58 0.00 0.00 0.00 179.25 177.65 1jse s TRP 108 N -4.65 3.12 0.34 0.00 0.51 -0.56 -4.95 118.94 112.75 1jse s TRP 108 Ca -0.04 -0.53 0.05 0.00 -2.12 0.00 0.00 56.10 53.45 1jse s TRP 108 Cb 0.15 -3.28 0.61 0.00 -0.81 0.00 0.00 33.47 30.14 1jse s TRP 108 CO 0.60 -0.89 1.86 0.28 -0.51 0.00 0.00 176.95 178.29 1jse h VAL 109 N 5.81 1.20 -0.68 4.03 2.07 -1.85 -1.62 116.25 125.21 1jse h VAL 109 Ca -0.27 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 1jse h VAL 109 Cb 1.10 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1jse h VAL 109 CO 0.90 0.28 0.30 0.00 0.02 0.00 0.00 177.57 179.07 1jse h ALA 110 N 1.50 0.87 -0.28 1.67 0.00 -1.92 -0.25 119.26 120.86 1jse h ALA 110 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jse h ALA 110 Cb 0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1jse h ALA 110 CO 0.02 0.47 0.18 2.35 0.00 0.00 0.00 179.25 182.27 1jse h TRP 111 N 0.95 0.35 -0.92 0.00 7.01 -1.66 -1.38 115.95 120.30 1jse h TRP 111 Ca 0.23 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.29 1jse h TRP 111 Cb 0.17 -0.12 -0.06 0.00 -2.10 0.00 0.00 29.16 27.05 1jse h TRP 111 CO 0.01 0.24 0.58 -0.09 -2.79 0.00 0.00 178.44 176.39 1jse h ARG 112 N 0.37 1.05 0.13 2.65 1.12 -0.84 0.85 114.38 119.71 1jse h ARG 112 Ca 0.10 -0.06 -0.28 0.00 -1.11 0.00 0.00 59.98 58.63 1jse h ARG 112 Cb -0.03 -0.24 0.00 0.00 -0.01 0.00 0.00 29.97 29.70 1jse h ARG 112 CO -0.02 0.70 -1.27 -0.91 -3.11 0.00 0.00 179.97 175.36 1jse h ASN 113 N 1.08 0.42 0.00 -3.80 -0.26 -0.92 -3.37 115.58 108.74 1jse h ASN 113 Ca 0.39 -0.46 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1jse h ASN 113 Cb 0.12 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 1jse h ASN 113 CO -0.16 1.36 -0.68 0.54 -1.06 0.00 0.00 177.43 177.43 1jse n ARG 114 N -3.52 2.79 -0.02 0.81 5.12 -0.53 -4.86 116.66 116.44 1jse n ARG 114 Ca -0.09 -0.02 -0.03 0.00 -1.93 0.00 0.00 57.85 55.78 1jse n ARG 114 Cb 1.03 -0.87 -0.01 0.00 -1.16 0.00 0.00 32.46 31.44 1jse n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jse n LYS 116 N -3.05 1.70 0.00 0.00 4.81 0.07 -1.83 118.16 119.86 1jse n LYS 116 Ca -0.06 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1jse n LYS 116 Cb 0.55 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.39 1jse n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jse n GLY 117 N 2.19 2.68 3.94 3.14 0.00 -1.26 -4.97 105.19 110.90 1jse n GLY 117 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1jse n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jse s THR 118 N -2.21 2.23 -1.17 2.61 -4.23 -0.76 -4.94 115.64 107.16 1jse s THR 118 Ca 0.00 -0.28 -0.21 0.00 -1.18 0.00 0.00 61.69 60.03 1jse s THR 118 Cb 0.00 -2.95 0.02 0.00 1.34 0.00 0.00 72.50 70.91 1jse s THR 118 CO 0.00 0.00 1.73 -0.62 -0.54 0.00 0.00 174.62 175.19 1jse s ASP 119 N -4.58 6.23 0.00 3.99 2.15 -1.26 -4.76 116.67 118.43 1jse s ASP 119 Ca 0.62 -1.89 0.17 0.00 0.43 0.00 0.00 52.55 51.88 1jse s ASP 119 Cb -0.09 -2.58 0.75 0.00 -0.30 0.00 0.00 42.92 40.70 1jse s ASP 119 CO 0.46 -1.79 1.53 1.33 -0.17 0.00 0.00 175.17 176.52 1jse n VAL 120 N 6.94 0.76 0.17 1.11 0.24 -1.26 -2.16 118.33 124.13 1jse n VAL 120 Ca 0.44 0.19 0.15 0.00 -2.04 0.00 0.00 64.34 63.08 1jse n VAL 120 Cb 0.47 -0.90 0.75 0.00 -1.47 0.00 0.00 33.84 32.69 1jse n VAL 120 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 1jse h HIS 121 N 0.00 0.00 -0.61 6.34 3.86 -1.91 -1.89 115.15 120.95 1jse h HIS 121 Ca 0.00 0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.37 1jse h HIS 121 Cb 0.25 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 1jse h HIS 121 CO 0.00 0.00 0.43 0.00 0.86 0.00 0.00 177.93 179.22 1jse h ALA 122 N 1.83 2.40 0.00 2.45 0.00 -1.85 -2.29 119.26 121.81 1jse h ALA 122 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jse h ALA 122 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jse h ALA 122 CO -0.00 -0.57 0.00 -1.49 0.00 0.00 0.00 179.25 177.19 1jse h TRP 123 N 0.13 0.00 -0.08 0.00 4.06 -1.59 -2.79 115.95 115.67 1jse h TRP 123 Ca 0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.24 1jse h TRP 123 Cb 0.98 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.14 1jse h TRP 123 CO -0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1jse n ILE 124 N -2.67 0.59 -1.94 1.49 -5.35 -0.88 -4.84 119.36 105.76 1jse n ILE 124 Ca 0.00 -0.79 -0.41 0.00 -0.27 0.00 0.00 62.75 61.28 1jse n ILE 124 Cb 0.22 0.74 -0.02 0.00 -1.74 0.00 0.00 39.64 38.84 1jse n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1jse s ARG 125 N -0.74 4.22 0.00 6.28 3.52 -1.06 -2.48 118.95 128.69 1jse s ARG 125 Ca 0.08 2.39 0.00 0.00 -0.13 0.00 0.00 55.73 58.06 1jse s ARG 125 Cb 0.04 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 1jse s ARG 125 CO 0.06 -0.47 0.00 0.41 -0.81 0.00 0.00 175.30 174.49 1jse n GLY 126 N 2.03 1.20 3.86 8.12 0.00 -1.26 -5.03 105.19 114.11 1jse n GLY 126 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1jse n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jse s ARG 128 N -1.50 3.60 0.00 0.00 1.81 -1.26 -5.12 118.95 116.47 1jse s ARG 128 Ca 0.27 -0.35 0.05 0.00 -1.72 0.00 0.00 55.73 53.98 1jse s ARG 128 Cb -0.15 -3.80 0.04 0.00 -0.45 0.00 0.00 34.95 30.60 1jse s ARG 128 CO 0.15 -0.53 0.65 1.28 -0.68 0.00 0.00 175.30 176.18