#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsa s ASN 2 N 0.00 -0.32 -0.39 1.61 3.04 -1.26 -5.11 114.94 112.52 1jsa s ASN 2 Ca 0.00 0.60 0.04 0.00 0.04 0.00 0.00 52.86 53.54 1jsa s ASN 2 Cb 0.00 0.57 0.16 0.00 -1.54 0.00 0.00 41.25 40.44 1jsa s ASN 2 CO 0.00 -0.12 0.41 -0.55 -3.04 0.00 0.00 177.10 173.79 1jsa s SER 3 N 0.49 0.91 0.43 -4.21 0.15 -1.26 -5.13 113.70 105.09 1jsa s SER 3 Ca -0.03 -1.70 -0.24 0.00 0.70 0.00 0.00 55.95 54.68 1jsa s SER 3 Cb -0.04 0.62 -0.10 0.00 -1.71 0.00 0.00 66.02 64.78 1jsa s SER 3 CO -0.03 -0.23 1.02 1.17 1.20 0.00 0.00 173.24 176.37 1jsa n LYS 4 N 4.03 1.36 -0.07 5.44 4.81 -1.26 -4.93 118.16 127.54 1jsa n LYS 4 Ca 0.13 0.49 -0.22 0.00 -0.87 0.00 0.00 58.31 57.84 1jsa n LYS 4 Cb 0.46 -2.07 -0.12 0.00 0.02 0.00 0.00 35.03 33.33 1jsa n LYS 4 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1jsa n SER 5 N 0.43 2.01 0.00 3.14 7.64 -1.26 -5.09 113.62 120.48 1jsa n SER 5 Ca 0.09 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1jsa n SER 5 Cb 0.40 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1jsa n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jsa n GLY 6 N 1.80 -0.73 0.00 0.23 0.00 -1.26 -4.98 105.19 100.26 1jsa n GLY 6 Ca -0.39 0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1jsa n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jsa n ALA 7 N 0.00 0.00 -0.44 4.61 0.00 -1.26 -5.16 120.51 118.27 1jsa n ALA 7 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1jsa n ALA 7 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 1jsa n ALA 7 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jsa n LEU 8 N 0.00 0.00 0.00 0.00 7.99 -1.26 -2.79 117.00 120.94 1jsa n LEU 8 Ca 0.00 -0.55 0.00 0.00 -0.01 0.00 0.00 56.01 55.45 1jsa n LEU 8 Cb 0.00 -0.79 0.00 0.00 -0.11 0.00 0.00 43.42 42.52 1jsa n LEU 8 CO 0.00 -2.51 0.00 -0.24 -1.51 0.00 0.00 177.39 173.13 1jsa n SER 9 N -2.78 0.00 0.15 -1.43 2.88 -1.26 -3.88 113.62 107.30 1jsa n SER 9 Ca 0.09 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.64 1jsa n SER 9 Cb 0.38 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.03 1jsa n SER 9 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1jsa h LYS 10 N 0.00 0.00 0.00 -1.46 2.10 -1.95 0.72 116.57 115.99 1jsa h LYS 10 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1jsa h LYS 10 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1jsa h LYS 10 CO 0.00 0.54 0.00 -1.91 -2.00 0.00 0.00 179.45 176.08 1jsa n GLU 11 N -3.59 0.13 -0.13 0.07 2.13 -1.12 -1.95 120.64 116.19 1jsa n GLU 11 Ca -0.00 0.16 -0.23 0.00 0.66 0.00 0.00 57.16 57.75 1jsa n GLU 11 Cb 0.62 -1.67 -0.11 0.00 0.27 0.00 0.00 31.44 30.54 1jsa n GLU 11 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1jsa n ILE 12 N -1.91 1.52 0.29 6.31 2.08 -0.98 -4.16 119.36 122.50 1jsa n ILE 12 Ca 0.06 -0.49 0.17 0.00 0.56 0.00 0.00 62.75 63.05 1jsa n ILE 12 Cb 0.35 -1.63 0.81 0.00 -0.75 0.00 0.00 39.64 38.41 1jsa n ILE 12 CO 0.00 0.00 0.00 0.17 0.56 0.00 0.00 176.55 177.28 1jsa h LEU 13 N -0.43 0.00 -0.87 1.39 8.10 -0.91 0.70 115.31 123.28 1jsa h LEU 13 Ca -0.62 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.37 1jsa h LEU 13 Cb 1.78 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.00 1jsa h LEU 13 CO -0.23 0.04 0.26 1.21 -4.11 0.00 0.00 178.44 175.61 1jsa n GLU 14 N -3.19 0.09 0.00 0.17 4.07 -0.82 0.37 120.64 121.32 1jsa n GLU 14 Ca -0.01 0.56 0.14 0.00 -0.06 0.00 0.00 57.16 57.79 1jsa n GLU 14 Cb 0.25 -2.05 0.62 0.00 -0.06 0.00 0.00 31.44 30.19 1jsa n GLU 14 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 1jsa n GLU 15 N -2.02 0.15 -0.16 5.31 0.28 0.24 -4.32 120.64 120.12 1jsa n GLU 15 Ca -0.01 -0.02 0.14 0.00 -0.16 0.00 0.00 57.16 57.11 1jsa n GLU 15 Cb 0.28 -1.50 0.23 0.00 1.43 0.00 0.00 31.44 31.88 1jsa n GLU 15 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1jsa n LEU 16 N -1.41 0.08 0.00 -1.84 -0.00 1.16 -0.59 117.00 114.40 1jsa n LEU 16 Ca 0.09 0.50 -0.00 0.00 -0.00 0.00 0.00 56.01 56.60 1jsa n LEU 16 Cb 0.31 -0.25 -0.00 0.00 -0.00 0.00 0.00 43.42 43.49 1jsa n LEU 16 CO 0.27 -0.55 0.38 1.56 -0.00 0.00 0.00 177.39 179.04 1jsa h GLN 17 N 0.00 -0.00 0.00 1.47 4.20 -1.81 -3.37 115.11 115.60 1jsa h GLN 17 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 1jsa h GLN 17 Cb 0.95 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1jsa h GLN 17 CO -0.18 -0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.25 1jsa n LEU 18 N -2.01 0.00 0.00 1.46 4.77 0.24 -4.77 117.00 116.69 1jsa n LEU 18 Ca -0.00 0.98 0.00 0.00 -0.03 0.00 0.00 56.01 56.96 1jsa n LEU 18 Cb 0.00 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1jsa n LEU 18 CO 0.00 -0.48 0.00 0.59 -1.33 0.00 0.00 177.39 176.17 1jsa n ASN 19 N -2.27 0.00 0.00 -1.43 4.13 -1.02 -4.87 115.26 109.80 1jsa n ASN 19 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1jsa n ASN 19 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1jsa n ASN 19 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1jsa n THR 20 N 0.00 0.00 -0.03 3.41 -2.24 -1.26 -4.73 114.28 109.43 1jsa n THR 20 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1jsa n THR 20 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1jsa n THR 20 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1jsa n LYS 21 N 0.00 0.00 -4.32 -0.78 -0.00 -1.26 -3.47 118.16 108.33 1jsa n LYS 21 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 1jsa n LYS 21 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 34.96 1jsa n LYS 21 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1jsa n PHE 22 N 0.00 -1.37 -1.64 5.58 7.35 -1.26 -3.97 117.46 122.14 1jsa n PHE 22 Ca 0.00 0.69 0.00 0.00 -0.76 0.00 0.00 57.45 57.38 1jsa n PHE 22 Cb 0.00 -2.69 0.00 0.00 0.35 0.00 0.00 39.48 37.14 1jsa n PHE 22 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1jsa n THR 23 N -4.36 -8.86 -0.27 -2.13 -1.04 -1.26 -4.52 114.28 91.83 1jsa n THR 23 Ca -0.12 1.96 0.04 0.00 -2.04 0.00 0.00 64.05 63.89 1jsa n THR 23 Cb 0.59 -4.54 0.27 0.00 -1.82 0.00 0.00 70.33 64.83 1jsa n THR 23 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1jsa h GLU 24 N 2.54 0.93 -1.59 -2.82 4.81 -1.97 -1.31 114.58 115.18 1jsa h GLU 24 Ca 0.00 -0.06 0.48 0.00 -0.13 0.00 0.00 59.36 59.66 1jsa h GLU 24 Cb 0.00 -0.21 -0.09 0.00 0.63 0.00 0.00 28.75 29.08 1jsa h GLU 24 CO 0.00 0.62 1.11 0.93 -0.73 0.00 0.00 179.01 180.93 1jsa h GLU 25 N 0.96 0.04 0.28 1.92 4.39 -1.91 0.29 114.58 120.55 1jsa h GLU 25 Ca 0.36 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.05 1jsa h GLU 25 Cb 0.19 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1jsa h GLU 25 CO -0.13 0.02 -0.14 1.49 -1.16 0.00 0.00 179.01 179.10 1jsa h GLU 26 N 0.04 -0.37 0.00 2.33 4.22 -1.46 -2.97 114.58 116.36 1jsa h GLU 26 Ca 0.83 0.03 0.00 0.00 0.08 0.00 0.00 59.36 60.30 1jsa h GLU 26 Cb 3.06 0.08 0.00 0.00 0.50 0.00 0.00 28.75 32.39 1jsa h GLU 26 CO -0.17 -0.05 0.02 1.28 -2.18 0.00 0.00 179.01 177.91 1jsa n LEU 27 N -5.04 0.00 0.00 1.64 4.32 0.86 -2.43 117.00 116.35 1jsa n LEU 27 Ca -0.08 0.43 0.00 0.00 -0.02 0.00 0.00 56.01 56.34 1jsa n LEU 27 Cb 0.25 -0.43 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 1jsa n LEU 27 CO 0.23 -0.43 0.35 -1.20 -1.22 0.00 0.00 177.39 175.12 1jsa n SER 28 N -1.43 0.00 -0.20 -1.43 7.64 -0.32 -3.31 113.62 114.57 1jsa n SER 28 Ca 0.00 0.83 0.10 0.00 1.01 0.00 0.00 58.87 60.80 1jsa n SER 28 Cb 0.02 -0.45 0.48 0.00 -1.01 0.00 0.00 64.21 63.25 1jsa n SER 28 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1jsa n SER 29 N -1.86 0.60 0.11 6.43 7.64 -1.18 -3.73 113.62 121.63 1jsa n SER 29 Ca 0.00 -1.53 -0.24 0.00 1.01 0.00 0.00 58.87 58.11 1jsa n SER 29 Cb 0.00 -0.04 -0.15 0.00 -1.01 0.00 0.00 64.21 63.01 1jsa n SER 29 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1jsa h TRP 30 N 0.80 0.84 0.00 1.43 7.01 -1.53 -1.46 115.95 123.04 1jsa h TRP 30 Ca 0.00 -0.61 -0.03 0.00 2.11 0.00 0.00 58.89 60.35 1jsa h TRP 30 Cb 0.17 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.20 1jsa h TRP 30 CO 0.04 1.55 -0.16 -0.92 -2.79 0.00 0.00 178.44 176.16 1jsa h TYR 31 N 0.03 0.00 0.00 2.65 3.20 -1.63 -2.93 116.97 118.28 1jsa h TYR 31 Ca -0.26 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.58 1jsa h TYR 31 Cb 2.05 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 40.32 1jsa h TYR 31 CO 0.14 0.16 -0.56 1.96 -1.64 0.00 0.00 178.16 178.21 1jsa h GLN 32 N 0.00 0.00 0.00 1.82 4.20 -1.72 -3.29 115.11 116.12 1jsa h GLN 32 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jsa h GLN 32 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1jsa h GLN 32 CO 0.02 0.16 0.44 -1.13 -0.67 0.00 0.00 178.83 177.65 1jsa n SER 33 N -4.61 0.16 0.05 1.46 3.41 -0.55 0.23 113.62 113.77 1jsa n SER 33 Ca -0.10 0.37 -0.16 0.00 -0.26 0.00 0.00 58.87 58.72 1jsa n SER 33 Cb 0.30 -0.27 -0.14 0.00 -0.26 0.00 0.00 64.21 63.84 1jsa n SER 33 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1jsa h PHE 34 N 0.00 0.41 -0.44 7.33 3.57 -1.62 -3.05 116.94 123.14 1jsa h PHE 34 Ca 0.00 -0.30 0.11 0.00 3.53 0.00 0.00 57.97 61.31 1jsa h PHE 34 Cb 0.88 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 1jsa h PHE 34 CO 0.00 1.37 0.31 -0.07 -2.23 0.00 0.00 178.31 177.70 1jsa h LEU 35 N 0.06 0.07 0.09 0.59 3.38 0.28 -0.33 115.31 119.46 1jsa h LEU 35 Ca -0.25 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.43 1jsa h LEU 35 Cb 2.01 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 1jsa h LEU 35 CO 0.15 0.04 -1.45 0.11 0.09 0.00 0.00 178.44 177.39 1jsa h LYS 36 N 0.08 0.20 -0.76 1.13 6.56 -1.61 -3.27 116.57 118.90 1jsa h LYS 36 Ca 0.21 -0.34 -0.04 0.00 -1.06 0.00 0.00 60.65 59.42 1jsa h LYS 36 Cb 0.73 0.13 -0.03 0.00 -0.57 0.00 0.00 32.23 32.48 1jsa h LYS 36 CO -0.02 1.06 0.33 0.93 -2.06 0.00 0.00 179.45 179.70 1jsa h GLU 37 N 0.05 1.12 -2.34 3.15 5.08 -1.00 -3.41 114.58 117.24 1jsa h GLU 37 Ca -0.20 -0.18 -0.27 0.00 -1.00 0.00 0.00 59.36 57.70 1jsa h GLU 37 Cb 1.98 -0.19 -0.34 0.00 0.50 0.00 0.00 28.75 30.70 1jsa h GLU 37 CO 0.16 0.89 -0.59 0.00 -1.00 0.00 0.00 179.01 178.47 1jsa h PRO 39 N 8.28 0.00 -6.21 0.00 0.11 -1.80 -3.40 132.00 128.98 1jsa h PRO 39 Ca -0.18 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.35 1jsa h PRO 39 Cb 1.15 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.17 1jsa h PRO 39 CO 0.28 0.00 0.66 -1.12 -0.21 0.00 0.00 178.00 177.61 1jsa s SER 40 N -4.73 6.63 0.00 -2.05 0.01 -1.26 -4.87 113.70 107.43 1jsa s SER 40 Ca -0.04 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.67 1jsa s SER 40 Cb 0.10 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1jsa s SER 40 CO 0.33 -0.97 0.15 0.61 0.41 0.00 0.00 173.24 173.76 1jsa n GLY 41 N 4.59 0.41 2.83 3.44 0.00 -1.26 -4.39 105.19 110.81 1jsa n GLY 41 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 1jsa n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jsa s ARG 42 N -0.76 0.14 0.50 1.61 0.52 -1.26 -4.49 118.95 115.21 1jsa s ARG 42 Ca 0.00 0.42 -0.05 0.00 -0.52 0.00 0.00 55.73 55.58 1jsa s ARG 42 Cb 0.00 -0.71 -0.02 0.00 0.52 0.00 0.00 34.95 34.74 1jsa s ARG 42 CO 0.00 -0.48 0.80 0.42 0.02 0.00 0.00 175.30 176.06 1jsa s ILE 43 N 2.34 4.58 0.54 1.52 1.01 -0.59 -4.88 121.20 125.72 1jsa s ILE 43 Ca 0.05 0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.83 1jsa s ILE 43 Cb -0.14 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.60 1jsa s ILE 43 CO -0.10 -0.73 0.17 -0.89 0.00 0.00 0.00 174.94 173.39 1jsa s THR 44 N -2.79 1.27 0.11 2.92 2.01 -1.26 -1.94 115.64 115.97 1jsa s THR 44 Ca 0.49 -1.79 -0.08 0.00 0.31 0.00 0.00 61.69 60.62 1jsa s THR 44 Cb -0.10 -2.06 -0.19 0.00 0.01 0.00 0.00 72.50 70.16 1jsa s THR 44 CO 0.45 0.00 1.28 0.08 -0.69 0.00 0.00 174.62 175.74 1jsa h ARG 45 N 1.05 0.55 0.27 4.92 0.11 -1.98 -2.51 114.38 116.79 1jsa h ARG 45 Ca -0.41 -0.56 -0.01 0.00 0.10 0.00 0.00 59.98 59.10 1jsa h ARG 45 Cb 1.32 0.15 0.00 0.00 1.11 0.00 0.00 29.97 32.55 1jsa h ARG 45 CO 0.66 1.18 -0.13 0.37 0.10 0.00 0.00 179.97 182.16 1jsa h GLN 46 N 0.33 -0.35 -0.10 0.08 5.75 -1.98 -2.76 115.11 116.07 1jsa h GLN 46 Ca -0.09 0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.37 1jsa h GLN 46 Cb 1.56 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 30.18 1jsa h GLN 46 CO 0.17 -0.21 -0.24 1.49 -2.65 0.00 0.00 178.83 177.40 1jsa h GLU 47 N -0.39 0.18 -0.90 1.69 4.81 -1.98 -2.98 114.58 115.00 1jsa h GLU 47 Ca -0.04 -0.05 0.25 0.00 -0.13 0.00 0.00 59.36 59.39 1jsa h GLU 47 Cb 0.30 -0.02 -0.15 0.00 0.63 0.00 0.00 28.75 29.51 1jsa h GLU 47 CO 0.06 0.41 0.16 0.35 -0.73 0.00 0.00 179.01 179.27 1jsa h PHE 48 N 0.16 0.21 0.00 0.92 3.04 -1.14 1.95 116.94 122.09 1jsa h PHE 48 Ca 0.03 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1jsa h PHE 48 Cb 0.51 0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.08 1jsa h PHE 48 CO 0.01 -0.29 0.00 0.37 -2.02 0.00 0.00 178.31 176.38 1jsa h GLN 49 N 0.13 0.00 0.00 1.11 5.75 -1.57 -2.39 115.11 118.14 1jsa h GLN 49 Ca 0.56 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.06 1jsa h GLN 49 Cb 1.16 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.71 1jsa h GLN 49 CO -0.74 0.00 0.00 2.41 -2.65 0.00 0.00 178.83 177.85 1jsa n THR 50 N -2.65 0.86 0.02 2.39 -1.04 0.66 -2.90 114.28 111.62 1jsa n THR 50 Ca 0.00 0.28 -0.22 0.00 -2.04 0.00 0.00 64.05 62.07 1jsa n THR 50 Cb 0.19 -1.21 -0.14 0.00 -1.82 0.00 0.00 70.33 67.35 1jsa n THR 50 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1jsa h ILE 51 N 0.00 0.73 0.00 12.58 2.04 -1.47 -3.32 117.51 128.07 1jsa h ILE 51 Ca 0.00 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.48 1jsa h ILE 51 Cb 0.33 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 1jsa h ILE 51 CO 0.00 0.86 0.24 -1.22 0.00 0.00 0.00 178.15 178.02 1jsa n TYR 52 N -3.58 0.00 0.00 1.37 4.02 -1.14 -3.59 117.16 114.24 1jsa n TYR 52 Ca -0.30 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.59 1jsa n TYR 52 Cb 1.03 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 40.16 1jsa n TYR 52 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1jsa n SER 53 N -1.15 0.00 0.23 7.72 2.88 -1.25 -1.75 113.62 120.29 1jsa n SER 53 Ca 0.00 0.05 0.05 0.00 -1.33 0.00 0.00 58.87 57.65 1jsa n SER 53 Cb 0.24 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 63.98 1jsa n SER 53 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1jsa h LYS 54 N 0.00 0.00 0.00 -1.46 2.10 -1.89 -3.33 116.57 112.00 1jsa h LYS 54 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1jsa h LYS 54 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1jsa h LYS 54 CO 0.00 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 178.64 1jsa n PHE 55 N -2.21 0.00 -1.49 0.07 3.72 -0.72 -4.90 117.46 111.94 1jsa n PHE 55 Ca -0.01 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.01 1jsa n PHE 55 Cb 0.57 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.14 1jsa n PHE 55 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1jsa n PHE 56 N 0.00 -0.48 0.00 1.38 3.72 -1.12 -4.94 117.46 116.01 1jsa n PHE 56 Ca 0.00 0.44 0.00 0.00 -0.05 0.00 0.00 57.45 57.84 1jsa n PHE 56 Cb 0.00 -1.98 0.00 0.00 -0.94 0.00 0.00 39.48 36.56 1jsa n PHE 56 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1jsa n PRO 57 N -0.17 0.00 -2.70 -1.08 -0.01 -1.26 -4.80 135.00 124.97 1jsa n PRO 57 Ca 0.12 0.06 -0.07 0.00 -0.01 0.00 0.00 63.50 63.60 1jsa n PRO 57 Cb 0.47 -0.90 0.12 0.00 -0.01 0.00 0.00 33.50 33.18 1jsa n PRO 57 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 175.50 173.58 1jsa n GLU 58 N -0.46 1.19 0.00 -0.52 2.13 -1.26 -5.00 120.64 116.72 1jsa n GLU 58 Ca 0.00 -1.82 0.00 0.00 0.66 0.00 0.00 57.16 56.00 1jsa n GLU 58 Cb 0.00 -0.09 0.00 0.00 0.27 0.00 0.00 31.44 31.62 1jsa n GLU 58 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jsa n ALA 59 N -0.55 0.00 -2.85 4.31 0.00 -1.26 -5.01 120.51 115.15 1jsa n ALA 59 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 1jsa n ALA 59 Cb 0.84 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.33 1jsa n ALA 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jsa n ASP 60 N 0.00 -0.18 0.00 0.00 9.92 -0.98 -4.91 116.55 120.40 1jsa n ASP 60 Ca 0.00 -2.97 0.06 0.00 -0.53 0.00 0.00 54.79 51.35 1jsa n ASP 60 Cb 0.00 0.25 0.25 0.00 -0.64 0.00 0.00 41.12 40.98 1jsa n ASP 60 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1jsa n PRO 61 N 0.03 0.02 -0.32 -0.24 -0.04 -1.26 -3.42 135.00 129.78 1jsa n PRO 61 Ca 0.11 0.28 0.23 0.00 -0.04 0.00 0.00 63.50 64.09 1jsa n PRO 61 Cb 0.75 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 33.15 1jsa n PRO 61 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1jsa n LYS 62 N -1.47 -0.07 0.10 0.54 5.02 -1.26 0.28 118.16 121.30 1jsa n LYS 62 Ca 0.03 1.36 -0.05 0.00 -2.02 0.00 0.00 58.31 57.63 1jsa n LYS 62 Cb 0.13 -2.32 0.03 0.00 -0.02 0.00 0.00 35.03 32.84 1jsa n LYS 62 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jsa h ALA 63 N 1.90 0.64 0.00 7.82 0.00 -1.88 -2.95 119.26 124.80 1jsa h ALA 63 Ca 0.71 -0.72 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 1jsa h ALA 63 Cb 1.72 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 1jsa h ALA 63 CO -0.81 0.96 -1.50 -0.92 0.00 0.00 0.00 179.25 176.98 1jsa h TYR 64 N 0.04 0.02 0.00 0.00 5.03 0.27 -3.25 116.97 119.08 1jsa h TYR 64 Ca -0.02 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.24 1jsa h TYR 64 Cb 1.43 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.70 1jsa h TYR 64 CO 0.01 1.02 -0.19 0.00 -1.32 0.00 0.00 178.16 177.67 1jsa h ALA 65 N 0.98 0.99 0.00 1.82 0.00 0.40 -2.56 119.26 120.88 1jsa h ALA 65 Ca -0.21 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1jsa h ALA 65 Cb 1.94 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1jsa h ALA 65 CO 0.10 0.24 -0.47 1.04 0.00 0.00 0.00 179.25 180.16 1jsa n GLN 66 N -3.31 0.06 0.11 0.00 6.02 -1.12 -3.85 117.38 115.29 1jsa n GLN 66 Ca 0.01 0.02 -0.23 0.00 -0.01 0.00 0.00 57.00 56.78 1jsa n GLN 66 Cb 0.44 -1.54 -0.15 0.00 1.02 0.00 0.00 30.24 30.01 1jsa n GLN 66 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1jsa h HIS 67 N 0.00 0.83 0.00 1.08 3.86 -1.49 -3.22 115.15 116.21 1jsa h HIS 67 Ca 0.00 -0.60 0.00 0.00 -1.16 0.00 0.00 60.37 58.61 1jsa h HIS 67 Cb 0.55 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1jsa h HIS 67 CO 0.00 1.60 0.10 0.28 0.86 0.00 0.00 177.93 180.77 1jsa n VAL 68 N -3.64 1.50 0.21 2.45 0.31 -1.16 -2.43 118.33 115.58 1jsa n VAL 68 Ca -0.20 0.48 -0.08 0.00 -0.01 0.00 0.00 64.34 64.53 1jsa n VAL 68 Cb 1.09 -1.48 -0.04 0.00 -0.91 0.00 0.00 33.84 32.50 1jsa n VAL 68 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1jsa h PHE 69 N 0.00 -0.50 0.00 3.52 3.57 -1.75 -2.41 116.94 119.37 1jsa h PHE 69 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1jsa h PHE 69 Cb 0.21 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1jsa h PHE 69 CO 0.00 -0.31 0.66 0.00 -2.23 0.00 0.00 178.31 176.43 1jsa h ARG 70 N -0.64 0.00 -0.13 1.11 -0.00 -1.71 0.56 114.38 113.57 1jsa h ARG 70 Ca -0.06 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.42 1jsa h ARG 70 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.38 1jsa h ARG 70 CO 0.09 0.00 0.06 1.03 0.00 0.00 0.00 179.97 181.15 1jsa h SER 71 N 0.00 0.15 0.00 7.04 0.87 -1.54 -3.36 113.55 116.71 1jsa h SER 71 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1jsa h SER 71 Cb 1.33 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1jsa h SER 71 CO 0.00 0.13 0.00 0.49 -0.53 0.00 0.00 176.83 176.92 1jsa n PHE 72 N -4.49 0.00 -0.51 2.24 3.01 0.17 -4.83 117.46 113.04 1jsa n PHE 72 Ca -0.01 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.37 1jsa n PHE 72 Cb 0.10 0.00 0.20 0.00 -0.01 0.00 0.00 39.48 39.77 1jsa n PHE 72 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1jsa n ASP 73 N 0.00 3.95 -0.84 4.37 2.03 0.17 -3.91 116.55 122.32 1jsa n ASP 73 Ca 0.00 -2.95 0.08 0.00 0.52 0.00 0.00 54.79 52.43 1jsa n ASP 73 Cb 0.04 -0.70 0.19 0.00 -0.72 0.00 0.00 41.12 39.93 1jsa n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jsa n ALA 74 N -0.19 2.28 -1.42 -1.67 0.00 -1.26 -4.37 120.51 113.88 1jsa n ALA 74 Ca 0.33 -1.10 -0.25 0.00 0.00 0.00 0.00 53.44 52.43 1jsa n ALA 74 Cb 1.18 -0.59 -0.08 0.00 0.00 0.00 0.00 19.45 19.96 1jsa n ALA 74 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jsa n ASN 75 N 0.90 6.31 -3.48 0.00 6.94 -1.25 -4.81 115.26 119.86 1jsa n ASN 75 Ca 0.15 -3.08 -0.22 0.00 -0.02 0.00 0.00 54.58 51.41 1jsa n ASN 75 Cb 0.47 -1.27 0.01 0.00 -2.36 0.00 0.00 39.78 36.64 1jsa n ASN 75 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1jsa n SER 76 N 1.19 -5.90 0.07 0.53 7.64 -1.26 -4.91 113.62 110.97 1jsa n SER 76 Ca 0.48 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1jsa n SER 76 Cb 0.61 -2.74 0.00 0.00 -1.01 0.00 0.00 64.21 61.07 1jsa n SER 76 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1jsa n ASP 77 N -1.55 -0.25 0.00 6.43 8.00 -1.26 -5.04 116.55 122.88 1jsa n ASP 77 Ca -0.15 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1jsa n ASP 77 Cb 0.63 0.35 0.00 0.00 -0.02 0.00 0.00 41.12 42.09 1jsa n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jsa n GLY 78 N 1.21 2.19 3.19 0.44 0.00 -1.26 -5.05 105.19 105.91 1jsa n GLY 78 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1jsa n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jsa s THR 79 N -2.35 0.11 -0.22 2.61 -4.23 -1.26 -4.96 115.64 105.32 1jsa s THR 79 Ca 0.00 -0.87 -0.20 0.00 -1.18 0.00 0.00 61.69 59.44 1jsa s THR 79 Cb 0.00 -0.91 -0.02 0.00 1.34 0.00 0.00 72.50 72.90 1jsa s THR 79 CO 0.00 -0.48 0.60 -0.76 -0.54 0.00 0.00 174.62 173.44 1jsa s LEU 80 N -2.09 4.11 0.46 4.79 1.43 -0.82 -4.87 118.68 121.68 1jsa s LEU 80 Ca -0.05 0.74 -0.04 0.00 -1.03 0.00 0.00 54.13 53.75 1jsa s LEU 80 Cb -0.01 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.35 1jsa s LEU 80 CO -0.04 -0.30 0.74 -1.81 0.23 0.00 0.00 176.35 175.17 1jsa s ASP 81 N 1.32 6.22 0.14 2.29 1.11 -1.26 -1.54 116.67 124.94 1jsa s ASP 81 Ca 0.26 0.79 -0.20 0.00 0.18 0.00 0.00 52.55 53.59 1jsa s ASP 81 Cb -0.16 -2.15 -0.00 0.00 1.07 0.00 0.00 42.92 41.68 1jsa s ASP 81 CO 0.09 -0.55 1.68 0.15 1.18 0.00 0.00 175.17 177.73 1jsa h PHE 82 N 0.32 -0.23 -0.35 4.23 3.57 -1.97 0.21 116.94 122.72 1jsa h PHE 82 Ca -0.47 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.09 1jsa h PHE 82 Cb 1.21 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 40.01 1jsa h PHE 82 CO 0.56 -0.15 -0.51 -0.22 -2.23 0.00 0.00 178.31 175.75 1jsa h LYS 83 N -0.07 -0.37 -0.71 1.11 3.64 -1.96 0.34 116.57 118.55 1jsa h LYS 83 Ca 0.11 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1jsa h LYS 83 Cb 0.24 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1jsa h LYS 83 CO -0.26 -0.25 0.31 1.05 -2.27 0.00 0.00 179.45 178.04 1jsa h GLU 84 N -0.38 1.04 -0.55 1.90 4.11 -1.90 -2.73 114.58 116.07 1jsa h GLU 84 Ca 0.06 -0.17 0.09 0.00 0.07 0.00 0.00 59.36 59.41 1jsa h GLU 84 Cb 0.55 -0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 1jsa h GLU 84 CO -0.53 0.84 0.17 -0.92 0.07 0.00 0.00 179.01 178.64 1jsa h TYR 85 N 1.00 0.30 0.00 2.06 3.20 0.66 -2.62 116.97 121.57 1jsa h TYR 85 Ca 0.24 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1jsa h TYR 85 Cb 0.16 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.38 1jsa h TYR 85 CO 0.01 0.06 0.00 0.28 -1.64 0.00 0.00 178.16 176.87 1jsa n VAL 86 N -5.04 0.00 -0.26 1.81 0.31 0.11 -0.21 118.33 115.05 1jsa n VAL 86 Ca 0.07 1.46 0.26 0.00 -0.01 0.00 0.00 64.34 66.12 1jsa n VAL 86 Cb 0.25 -2.17 0.48 0.00 -0.91 0.00 0.00 33.84 31.50 1jsa n VAL 86 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1jsa n ILE 87 N -2.44 -0.34 0.04 2.52 5.41 -1.08 0.15 119.36 123.62 1jsa n ILE 87 Ca 0.00 1.65 -0.02 0.00 1.00 0.00 0.00 62.75 65.38 1jsa n ILE 87 Cb 0.00 -2.68 -0.01 0.00 -0.71 0.00 0.00 39.64 36.24 1jsa n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jsa h ALA 88 N 1.62 -0.51 -0.80 -1.39 0.00 -0.66 0.38 119.26 117.90 1jsa h ALA 88 Ca 0.69 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.81 1jsa h ALA 88 Cb 1.84 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.64 1jsa h ALA 88 CO -0.62 -0.50 0.72 1.25 0.00 0.00 0.00 179.25 180.10 1jsa h LEU 89 N -0.21 0.00 0.12 0.00 7.12 0.18 0.62 115.31 123.14 1jsa h LEU 89 Ca -0.01 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 1jsa h LEU 89 Cb 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.22 1jsa h LEU 89 CO 0.02 0.00 -0.06 -0.74 -0.13 0.00 0.00 178.44 177.53 1jsa h HIS 90 N 0.00 -0.15 -1.02 1.25 2.76 0.15 -3.07 115.15 115.06 1jsa h HIS 90 Ca 0.38 -0.00 0.30 0.00 -2.20 0.00 0.00 60.37 58.84 1jsa h HIS 90 Cb 1.82 0.05 -0.04 0.00 1.55 0.00 0.00 27.41 30.79 1jsa h HIS 90 CO 0.00 0.34 0.97 1.98 -1.30 0.00 0.00 177.93 179.92 1jsa h MET 91 N -0.81 0.00 -0.83 5.26 1.85 0.14 -0.51 114.93 120.02 1jsa h MET 91 Ca -0.02 0.00 0.15 0.00 -0.61 0.00 0.00 59.70 59.22 1jsa h MET 91 Cb 0.55 0.00 -0.15 0.00 0.43 0.00 0.00 31.60 32.44 1jsa h MET 91 CO 0.03 0.00 -0.31 1.15 -0.40 0.00 0.00 176.91 177.37 1jsa h THR 92 N 0.00 0.10 -0.27 -0.77 2.02 -1.39 -3.38 112.91 109.21 1jsa h THR 92 Ca 0.49 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.56 1jsa h THR 92 Cb 2.42 0.10 -0.15 0.00 -1.74 0.00 0.00 68.15 68.78 1jsa h THR 92 CO -0.01 0.00 -0.28 -0.24 0.37 0.00 0.00 175.52 175.37 1jsa n SER 93 N -5.49 -2.24 0.00 4.18 2.88 -0.21 -4.98 113.62 107.76 1jsa n SER 93 Ca 0.09 -2.22 0.00 0.00 -1.33 0.00 0.00 58.87 55.41 1jsa n SER 93 Cb 0.40 1.24 0.00 0.00 -0.75 0.00 0.00 64.21 65.10 1jsa n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jsa n ALA 94 N 2.14 1.78 -3.00 -1.46 0.00 -1.14 -5.07 120.51 113.77 1jsa n ALA 94 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1jsa n ALA 94 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1jsa n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jsa n GLY 95 N 0.39 3.42 0.00 0.00 0.00 -1.26 -4.63 105.19 103.11 1jsa n GLY 95 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1jsa n GLY 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jsa n LYS 96 N 0.00 0.00 -1.60 1.61 3.00 -1.26 -5.12 118.16 114.79 1jsa n LYS 96 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.99 1jsa n LYS 96 Cb 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 35.03 34.97 1jsa n LYS 96 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1jsa s THR 97 N -1.00 3.22 0.10 3.15 -4.23 -1.26 -4.88 115.64 110.74 1jsa s THR 97 Ca 0.00 0.52 -0.36 0.00 -1.18 0.00 0.00 61.69 60.67 1jsa s THR 97 Cb 0.00 -3.03 -0.17 0.00 1.34 0.00 0.00 72.50 70.65 1jsa s THR 97 CO 0.00 -0.40 1.31 0.59 -0.54 0.00 0.00 174.62 175.58 1jsa n ASN 98 N -2.74 1.59 0.00 3.99 5.03 -1.26 -4.64 115.26 117.23 1jsa n ASN 98 Ca 0.10 1.12 0.00 0.00 0.87 0.00 0.00 54.58 56.67 1jsa n ASN 98 Cb 0.52 -1.19 0.00 0.00 -1.02 0.00 0.00 39.78 38.09 1jsa n ASN 98 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 1jsa n GLN 99 N 2.39 0.00 -0.63 3.52 0.00 -1.26 -4.99 117.38 116.40 1jsa n GLN 99 Ca 0.18 0.00 -0.28 0.00 -0.00 0.00 0.00 57.00 56.90 1jsa n GLN 99 Cb 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.40 1jsa n GLN 99 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1jsa n LYS 100 N -1.62 1.02 0.00 3.69 2.85 -1.26 -4.39 118.16 118.45 1jsa n LYS 100 Ca 0.00 -1.25 0.00 0.00 -1.05 0.00 0.00 58.31 56.01 1jsa n LYS 100 Cb 0.00 -2.49 0.00 0.00 -0.65 0.00 0.00 35.03 31.89 1jsa n LYS 100 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1jsa n LEU 101 N 6.28 0.02 0.25 -5.58 4.77 -1.26 -4.23 117.00 117.26 1jsa n LEU 101 Ca 0.36 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.52 1jsa n LEU 101 Cb 0.24 -0.18 0.90 0.00 -2.33 0.00 0.00 43.42 42.05 1jsa n LEU 101 CO 0.85 -0.18 1.15 -0.08 -1.33 0.00 0.00 177.39 177.80 1jsa h GLU 102 N 0.00 0.00 -0.28 3.23 4.22 -1.91 -0.08 114.58 119.76 1jsa h GLU 102 Ca 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.36 1jsa h GLU 102 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1jsa h GLU 102 CO 0.00 0.00 -0.16 -1.49 -2.18 0.00 0.00 179.01 175.18 1jsa h TRP 103 N 0.00 0.54 0.00 0.92 6.55 -1.85 -2.29 115.95 119.82 1jsa h TRP 103 Ca 0.05 -0.09 0.00 0.00 0.95 0.00 0.00 58.89 59.80 1jsa h TRP 103 Cb 0.39 -0.14 0.00 0.00 -0.86 0.00 0.00 29.16 28.55 1jsa h TRP 103 CO 0.00 0.63 0.00 0.00 -1.05 0.00 0.00 178.44 178.02 1jsa h ALA 104 N 1.38 1.00 0.00 1.49 0.00 -1.18 -2.83 119.26 119.12 1jsa h ALA 104 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jsa h ALA 104 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1jsa h ALA 104 CO 0.03 0.00 0.00 0.35 0.00 0.00 0.00 179.25 179.63 1jsa h PHE 105 N 0.00 0.00 0.00 0.00 3.04 -1.42 -1.47 116.94 117.09 1jsa h PHE 105 Ca 0.00 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 1jsa h PHE 105 Cb 0.58 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.09 1jsa h PHE 105 CO 0.00 0.00 -0.49 1.03 -2.02 0.00 0.00 178.31 176.83 1jsa h SER 106 N 0.00 0.00 0.02 0.41 0.87 -1.64 -2.93 113.55 110.29 1jsa h SER 106 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1jsa h SER 106 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1jsa h SER 106 CO 0.00 0.13 -0.01 0.25 -0.53 0.00 0.00 176.83 176.66 1jsa h LEU 107 N 0.00 -0.03 -1.38 2.23 7.12 -1.43 -3.30 115.31 118.53 1jsa h LEU 107 Ca -0.01 -0.71 -0.07 0.00 0.13 0.00 0.00 57.88 57.22 1jsa h LEU 107 Cb 1.11 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 41.24 1jsa h LEU 107 CO 0.01 0.77 -0.31 1.88 -0.13 0.00 0.00 178.44 180.67 1jsa h TYR 108 N -0.90 0.00 0.00 1.25 -1.99 -1.67 -3.26 116.97 110.40 1jsa h TYR 108 Ca -0.00 -0.00 -0.48 0.00 2.00 0.00 0.00 58.73 60.24 1jsa h TYR 108 Cb 0.74 -0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.49 1jsa h TYR 108 CO 0.19 0.31 3.00 -3.47 -0.00 0.00 0.00 178.16 178.20 1jsa n ASP 109 N -4.17 6.41 -0.26 3.88 -0.08 -1.11 -4.62 116.55 116.60 1jsa n ASP 109 Ca -0.02 -2.41 -0.07 0.00 -1.51 0.00 0.00 54.79 50.78 1jsa n ASP 109 Cb 0.35 -1.28 -0.06 0.00 2.34 0.00 0.00 41.12 42.48 1jsa n ASP 109 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1jsa n VAL 110 N 3.90 -0.41 -0.11 5.18 0.31 -1.23 -0.57 118.33 125.39 1jsa n VAL 110 Ca 0.57 2.02 -0.05 0.00 -0.01 0.00 0.00 64.34 66.87 1jsa n VAL 110 Cb 0.19 -2.55 0.02 0.00 -0.91 0.00 0.00 33.84 30.59 1jsa n VAL 110 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1jsa h ASP 111 N 0.00 0.07 -1.22 4.52 3.04 -1.94 -3.48 116.42 117.42 1jsa h ASP 111 Ca 0.10 0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.94 1jsa h ASP 111 Cb 0.25 0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.60 1jsa h ASP 111 CO -0.57 0.08 0.00 0.61 -2.04 0.00 0.00 179.24 177.31 1jsa n GLY 112 N -1.23 0.18 0.94 7.15 0.00 0.27 -5.05 105.19 107.45 1jsa n GLY 112 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1jsa n GLY 112 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jsa n ASN 113 N -0.24 0.18 -0.93 1.61 0.23 -1.26 -4.97 115.26 109.88 1jsa n ASN 113 Ca 0.00 -1.84 -0.12 0.00 -0.53 0.00 0.00 54.58 52.09 1jsa n ASN 113 Cb 0.04 -0.11 -0.05 0.00 -2.08 0.00 0.00 39.78 37.57 1jsa n ASN 113 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jsa n GLY 114 N 0.18 1.22 3.22 4.83 0.00 -1.26 -4.94 105.19 108.44 1jsa n GLY 114 Ca -0.03 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1jsa n GLY 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jsa s THR 115 N -2.18 -0.39 0.14 2.61 -4.23 -1.26 -4.23 115.64 106.10 1jsa s THR 115 Ca 0.00 0.16 -0.13 0.00 -1.18 0.00 0.00 61.69 60.54 1jsa s THR 115 Cb 0.00 -0.60 -0.07 0.00 1.34 0.00 0.00 72.50 73.17 1jsa s THR 115 CO 0.00 0.07 0.51 -0.63 -0.54 0.00 0.00 174.62 174.03 1jsa s ILE 116 N 2.14 4.92 0.11 2.99 1.01 0.74 -4.88 121.20 128.24 1jsa s ILE 116 Ca -0.04 0.70 0.07 0.00 0.00 0.00 0.00 60.65 61.38 1jsa s ILE 116 Cb -0.11 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 1jsa s ILE 116 CO -0.12 0.22 -0.17 -0.94 0.00 0.00 0.00 174.94 173.93 1jsa s SER 117 N -1.79 2.23 0.23 3.58 1.04 -1.26 -2.45 113.70 115.28 1jsa s SER 117 Ca 0.38 -0.72 -0.12 0.00 0.48 0.00 0.00 55.95 55.97 1jsa s SER 117 Cb -0.14 -0.10 0.31 0.00 0.10 0.00 0.00 66.02 66.18 1jsa s SER 117 CO 0.19 -0.03 1.60 0.50 0.98 0.00 0.00 173.24 176.48 1jsa h LYS 118 N 3.91 -0.01 -0.52 4.02 3.64 -1.95 0.15 116.57 125.81 1jsa h LYS 118 Ca -0.43 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.05 1jsa h LYS 118 Cb 1.19 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.93 1jsa h LYS 118 CO 0.43 -0.00 0.01 -0.91 -2.27 0.00 0.00 179.45 176.71 1jsa h ASN 119 N -0.01 -0.21 0.44 4.20 4.21 -2.00 0.13 115.58 122.35 1jsa h ASN 119 Ca 0.36 0.12 -0.01 0.00 1.21 0.00 0.00 56.30 57.99 1jsa h ASN 119 Cb 0.56 0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.97 1jsa h ASN 119 CO -0.79 -0.07 -0.33 -0.33 -1.29 0.00 0.00 177.43 174.62 1jsa h GLU 120 N 0.13 -0.73 -1.02 0.81 5.08 -1.10 -1.77 114.58 115.97 1jsa h GLU 120 Ca 0.27 0.05 0.25 0.00 -1.00 0.00 0.00 59.36 58.93 1jsa h GLU 120 Cb 0.41 0.17 -0.11 0.00 0.50 0.00 0.00 28.75 29.72 1jsa h GLU 120 CO -0.43 -0.49 0.64 0.28 -1.00 0.00 0.00 179.01 178.01 1jsa h VAL 121 N -0.76 0.54 -0.35 3.13 2.07 -0.59 0.54 116.25 120.84 1jsa h VAL 121 Ca -0.04 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.38 1jsa h VAL 121 Cb 0.64 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 1jsa h VAL 121 CO 0.01 0.09 -0.10 0.25 0.02 0.00 0.00 177.57 177.84 1jsa h LEU 122 N 0.49 -0.36 0.02 2.57 7.12 -0.08 -0.62 115.31 124.46 1jsa h LEU 122 Ca 0.61 0.11 0.02 0.00 0.13 0.00 0.00 57.88 58.75 1jsa h LEU 122 Cb 1.36 0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 41.69 1jsa h LEU 122 CO -0.37 -0.13 -0.12 -0.33 -0.13 0.00 0.00 178.44 177.36 1jsa h GLU 123 N -0.02 -0.21 -0.85 1.25 3.07 -0.73 0.38 114.58 117.47 1jsa h GLU 123 Ca 0.17 0.01 0.18 0.00 -0.50 0.00 0.00 59.36 59.23 1jsa h GLU 123 Cb 0.28 0.05 -0.11 0.00 -0.84 0.00 0.00 28.75 28.12 1jsa h GLU 123 CO -0.37 -0.14 0.37 0.82 -1.40 0.00 0.00 179.01 178.29 1jsa h ILE 124 N -0.22 0.58 0.09 3.13 1.08 -1.10 0.42 117.51 121.48 1jsa h ILE 124 Ca 0.04 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1jsa h ILE 124 Cb 0.27 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 1jsa h ILE 124 CO -0.11 0.08 -0.04 0.58 -0.69 0.00 0.00 178.15 177.97 1jsa h VAL 125 N 0.46 1.16 -0.44 1.67 2.07 -0.24 -1.89 116.25 119.04 1jsa h VAL 125 Ca 0.50 -1.05 0.09 0.00 0.82 0.00 0.00 66.70 67.05 1jsa h VAL 125 Cb 0.85 1.82 -0.08 0.00 -1.52 0.00 0.00 31.29 32.36 1jsa h VAL 125 CO -0.46 0.25 -0.04 0.74 0.02 0.00 0.00 177.57 178.08 1jsa h THR 126 N -0.61 0.62 0.29 2.57 2.02 0.77 0.16 112.91 118.73 1jsa h THR 126 Ca -0.01 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1jsa h THR 126 Cb 0.50 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1jsa h THR 126 CO 0.02 0.01 -0.28 0.00 0.37 0.00 0.00 175.52 175.64 1jsa h ALA 127 N 1.41 -0.59 -0.56 6.16 0.00 -0.23 -2.29 119.26 123.17 1jsa h ALA 127 Ca 0.22 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.15 1jsa h ALA 127 Cb 0.33 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.43 1jsa h ALA 127 CO -0.40 -0.86 0.05 0.82 0.00 0.00 0.00 179.25 178.86 1jsa h ILE 128 N -0.60 0.60 -0.75 0.00 2.04 -0.62 -0.34 117.51 117.85 1jsa h ILE 128 Ca -0.01 -0.06 0.15 0.00 1.00 0.00 0.00 64.86 65.94 1jsa h ILE 128 Cb 0.54 0.41 -0.14 0.00 -0.74 0.00 0.00 36.82 36.89 1jsa h ILE 128 CO -0.05 0.03 -0.17 0.15 0.00 0.00 0.00 178.15 178.11 1jsa h PHE 129 N 0.17 -0.36 -0.82 1.37 3.57 -0.15 0.68 116.94 121.40 1jsa h PHE 129 Ca 0.29 0.07 0.14 0.00 3.53 0.00 0.00 57.97 62.00 1jsa h PHE 129 Cb 0.44 0.28 -0.09 0.00 2.79 0.00 0.00 35.95 39.37 1jsa h PHE 129 CO -0.30 -0.31 0.40 0.87 -2.23 0.00 0.00 178.31 176.74 1jsa h LYS 130 N 0.01 0.56 0.00 1.11 1.79 -0.69 0.65 116.57 119.99 1jsa h LYS 130 Ca 0.36 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.79 1jsa h LYS 130 Cb 0.56 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1jsa h LYS 130 CO -0.76 0.37 -0.03 0.00 -1.08 0.00 0.00 179.45 177.95 1jsa h MET 131 N 0.57 0.00 -5.98 3.15 -0.00 0.55 -2.61 114.93 110.61 1jsa h MET 131 Ca 0.45 0.00 -0.58 0.00 -0.00 0.00 0.00 59.70 59.57 1jsa h MET 131 Cb 0.65 0.00 -0.11 0.00 -0.00 0.00 0.00 31.60 32.14 1jsa h MET 131 CO -0.37 0.03 0.95 0.42 -0.00 0.00 0.00 176.91 177.94 1jsa s ILE 132 N -3.94 3.98 0.43 -0.10 1.01 0.23 -4.34 121.20 118.46 1jsa s ILE 132 Ca -0.02 -0.08 -0.23 0.00 0.00 0.00 0.00 60.65 60.33 1jsa s ILE 132 Cb 0.11 -4.86 -0.12 0.00 0.01 0.00 0.00 42.46 37.60 1jsa s ILE 132 CO 0.51 -1.73 0.63 -1.20 0.00 0.00 0.00 174.94 173.15 1jsa n SER 133 N 8.66 -0.50 -0.29 3.58 7.64 -1.26 -4.61 113.62 126.85 1jsa n SER 133 Ca 0.06 0.92 0.11 0.00 1.01 0.00 0.00 58.87 60.97 1jsa n SER 133 Cb 0.48 -1.16 0.35 0.00 -1.01 0.00 0.00 64.21 62.87 1jsa n SER 133 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1jsa h PRO 134 N 0.90 0.74 -0.34 1.43 0.11 -1.92 -1.42 132.00 131.49 1jsa h PRO 134 Ca -0.41 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.73 1jsa h PRO 134 Cb 1.39 -0.17 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 1jsa h PRO 134 CO 0.52 0.49 -0.14 1.49 -0.21 0.00 0.00 178.00 180.15 1jsa h GLU 135 N 0.76 -0.08 -0.31 1.05 4.81 -2.01 -1.91 114.58 116.87 1jsa h GLU 135 Ca 0.46 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.61 1jsa h GLU 135 Cb 0.66 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1jsa h GLU 135 CO -0.22 -0.05 -0.14 0.22 -0.73 0.00 0.00 179.01 178.09 1jsa h ASP 136 N -0.08 0.67 0.00 1.04 3.58 -1.64 -2.36 116.42 117.62 1jsa h ASP 136 Ca 0.17 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 57.22 1jsa h ASP 136 Cb 0.34 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1jsa h ASP 136 CO -0.39 0.92 0.17 0.41 -2.88 0.00 0.00 179.24 177.47 1jsa n THR 137 N -4.39 0.69 1.62 2.25 -1.04 -0.63 0.15 114.28 112.93 1jsa n THR 137 Ca -0.03 0.34 0.12 0.00 -2.04 0.00 0.00 64.05 62.44 1jsa n THR 137 Cb 0.37 -1.34 0.55 0.00 -1.82 0.00 0.00 70.33 68.09 1jsa n THR 137 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1jsa n LYS 138 N -1.10 1.40 -0.07 -2.82 4.81 -0.89 -4.17 118.16 115.33 1jsa n LYS 138 Ca 0.00 -0.60 -0.06 0.00 -0.87 0.00 0.00 58.31 56.78 1jsa n LYS 138 Cb 0.17 -1.40 -0.02 0.00 0.02 0.00 0.00 35.03 33.79 1jsa n LYS 138 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1jsa n HIS 139 N -0.22 0.85 -0.91 5.64 8.25 0.40 -4.94 115.22 124.28 1jsa n HIS 139 Ca 0.18 0.37 -0.34 0.00 -0.26 0.00 0.00 57.72 57.66 1jsa n HIS 139 Cb 0.23 -0.77 0.09 0.00 1.12 0.00 0.00 29.99 30.67 1jsa n HIS 139 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1jsa n LEU 140 N -4.59 -1.61 -4.62 2.41 7.99 -1.26 -4.83 117.00 110.49 1jsa n LEU 140 Ca -0.09 0.33 -0.40 0.00 -0.01 0.00 0.00 56.01 55.83 1jsa n LEU 140 Cb 0.31 -1.09 0.02 0.00 -0.11 0.00 0.00 43.42 42.56 1jsa n LEU 140 CO 0.12 -4.20 0.60 -2.65 -1.51 0.00 0.00 177.39 169.75 1jsa n PRO 141 N -0.50 1.29 0.04 3.23 -0.01 -1.26 -4.87 135.00 132.92 1jsa n PRO 141 Ca 0.05 0.47 0.12 0.00 -0.01 0.00 0.00 63.50 64.13 1jsa n PRO 141 Cb 0.54 -2.12 0.48 0.00 -0.01 0.00 0.00 33.50 32.38 1jsa n PRO 141 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 1jsa n GLU 142 N -0.19 0.08 0.11 -0.52 1.02 -1.26 -2.80 120.64 117.08 1jsa n GLU 142 Ca 0.10 0.17 -0.01 0.00 -0.02 0.00 0.00 57.16 57.40 1jsa n GLU 142 Cb 0.42 -1.61 -0.02 0.00 -0.02 0.00 0.00 31.44 30.20 1jsa n GLU 142 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1jsa h ASP 143 N 0.00 0.00 -1.54 1.62 3.58 -2.01 -3.35 116.42 114.72 1jsa h ASP 143 Ca 0.00 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.98 1jsa h ASP 143 Cb 0.46 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 41.10 1jsa h ASP 143 CO 0.00 0.69 -1.03 -0.62 -2.88 0.00 0.00 179.24 175.40 1jsa n GLU 144 N -3.28 1.82 -1.47 0.28 -0.58 -1.13 -4.91 120.64 111.37 1jsa n GLU 144 Ca 0.01 -3.75 -0.34 0.00 -0.42 0.00 0.00 57.16 52.66 1jsa n GLU 144 Cb 0.81 -1.70 0.06 0.00 -0.57 0.00 0.00 31.44 30.04 1jsa n GLU 144 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1jsa n ASN 145 N -0.08 7.47 -3.82 1.62 6.94 -1.12 -4.37 115.26 121.90 1jsa n ASN 145 Ca 0.22 -3.70 -0.11 0.00 -0.02 0.00 0.00 54.58 50.97 1jsa n ASN 145 Cb 0.69 -1.03 -0.08 0.00 -2.36 0.00 0.00 39.78 37.00 1jsa n ASN 145 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1jsa s THR 146 N -4.50 0.09 0.56 5.53 -4.23 -1.26 -5.02 115.64 106.82 1jsa s THR 146 Ca 0.58 -0.77 0.26 0.00 -1.18 0.00 0.00 61.69 60.58 1jsa s THR 146 Cb 0.46 -0.81 0.36 0.00 1.34 0.00 0.00 72.50 73.84 1jsa s THR 146 CO -0.14 -0.42 2.08 -0.65 -0.54 0.00 0.00 174.62 174.95 1jsa h PRO 147 N 3.57 0.00 0.00 3.99 0.10 -1.91 0.21 132.00 137.96 1jsa h PRO 147 Ca -0.31 0.00 -0.04 0.00 0.10 0.00 0.00 66.00 65.74 1jsa h PRO 147 Cb 1.19 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.28 1jsa h PRO 147 CO 0.46 0.00 -0.30 0.93 0.10 0.00 0.00 178.00 179.18 1jsa h GLU 148 N 0.00 0.00 0.00 1.05 3.07 -1.96 -2.63 114.58 114.11 1jsa h GLU 148 Ca 0.11 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.82 1jsa h GLU 148 Cb 0.54 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1jsa h GLU 148 CO -0.00 0.17 -0.86 0.87 -1.40 0.00 0.00 179.01 177.79 1jsa h LYS 149 N 0.00 0.00 -0.41 2.33 1.79 -0.98 -3.38 116.57 115.92 1jsa h LYS 149 Ca -0.01 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.37 1jsa h LYS 149 Cb 1.15 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.78 1jsa h LYS 149 CO 0.02 0.92 -0.12 0.00 -1.08 0.00 0.00 179.45 179.19 1jsa h ARG 150 N -1.00 0.74 -1.21 3.15 3.08 -1.28 -2.43 114.38 115.42 1jsa h ARG 150 Ca -0.23 -0.25 0.35 0.00 0.07 0.00 0.00 59.98 59.92 1jsa h ARG 150 Cb 1.15 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.09 1jsa h ARG 150 CO -0.14 0.83 1.05 0.00 -1.07 0.00 0.00 179.97 180.64 1jsa h ALA 151 N 1.20 3.10 -0.15 0.04 0.00 -1.64 2.16 119.26 123.97 1jsa h ALA 151 Ca 0.11 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 1jsa h ALA 151 Cb 0.59 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1jsa h ALA 151 CO 0.04 -1.67 -0.68 0.93 0.00 0.00 0.00 179.25 177.87 1jsa h GLU 152 N 0.00 0.59 -0.01 0.00 4.39 -1.62 -2.22 114.58 115.72 1jsa h GLU 152 Ca 0.57 -0.44 0.01 0.00 0.34 0.00 0.00 59.36 59.84 1jsa h GLU 152 Cb 2.67 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 31.39 1jsa h GLU 152 CO -0.01 1.06 -0.03 0.87 -1.16 0.00 0.00 179.01 179.75 1jsa h LYS 153 N 0.42 -0.05 0.00 2.33 1.57 0.34 0.43 116.57 121.62 1jsa h LYS 153 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1jsa h LYS 153 Cb 1.26 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1jsa h LYS 153 CO 0.13 -0.03 0.00 -0.89 -0.57 0.00 0.00 179.45 178.09 1jsa n ILE 154 N -5.13 0.00 0.24 1.86 5.41 -1.05 -1.74 119.36 118.95 1jsa n ILE 154 Ca -0.06 0.96 0.06 0.00 1.00 0.00 0.00 62.75 64.71 1jsa n ILE 154 Cb 0.07 -1.81 0.33 0.00 -0.71 0.00 0.00 39.64 37.51 1jsa n ILE 154 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 1jsa h TRP 155 N 0.00 0.00 0.03 1.39 2.91 -1.50 1.33 115.95 120.11 1jsa h TRP 155 Ca 0.00 0.00 -0.22 0.00 1.13 0.00 0.00 58.89 59.80 1jsa h TRP 155 Cb 0.00 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.63 1jsa h TRP 155 CO 0.07 0.00 -1.00 0.78 -1.03 0.00 0.00 178.44 177.26 1jsa h GLY 156 N 0.00 0.12 0.58 2.65 0.00 0.13 0.13 103.07 106.69 1jsa h GLY 156 Ca 0.00 -0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.10 1jsa h GLY 156 CO 0.00 0.24 0.06 0.74 0.00 0.00 0.00 176.54 177.58 1jsa h PHE 157 N 0.04 0.10 0.00 5.60 0.04 0.26 -2.84 116.94 120.14 1jsa h PHE 157 Ca -0.05 0.02 -0.22 0.00 2.80 0.00 0.00 57.97 60.53 1jsa h PHE 157 Cb 1.71 0.01 -0.04 0.00 2.20 0.00 0.00 35.95 39.83 1jsa h PHE 157 CO 0.02 0.01 -1.55 1.19 -0.60 0.00 0.00 178.31 177.38 1jsa n PHE 158 N -5.10 0.97 0.00 -0.55 3.72 -1.24 -4.98 117.46 110.28 1jsa n PHE 158 Ca 0.01 0.33 0.00 0.00 -0.05 0.00 0.00 57.45 57.74 1jsa n PHE 158 Cb 0.15 -1.12 0.00 0.00 -0.94 0.00 0.00 39.48 37.57 1jsa n PHE 158 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jsa n GLY 159 N 1.46 2.05 2.43 1.37 0.00 0.47 -4.89 105.19 108.08 1jsa n GLY 159 Ca -0.13 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 1jsa n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jsa n LYS 160 N 0.00 -0.59 -0.59 1.61 4.76 -1.26 -4.76 118.16 117.33 1jsa n LYS 160 Ca 0.00 0.67 -0.23 0.00 -2.87 0.00 0.00 58.31 55.88 1jsa n LYS 160 Cb 0.00 -0.90 0.20 0.00 -1.84 0.00 0.00 35.03 32.49 1jsa n LYS 160 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1jsa n LYS 161 N 0.59 -3.16 0.00 1.97 4.81 -1.25 -4.79 118.16 116.33 1jsa n LYS 161 Ca -0.02 -1.26 0.00 0.00 -0.87 0.00 0.00 58.31 56.16 1jsa n LYS 161 Cb 0.38 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 34.12 1jsa n LYS 161 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1jsa n ASP 162 N -4.67 0.00 -2.08 3.14 2.03 -1.26 -1.61 116.55 112.10 1jsa n ASP 162 Ca 0.11 0.97 -0.04 0.00 0.52 0.00 0.00 54.79 56.36 1jsa n ASP 162 Cb 0.45 -0.47 -0.05 0.00 -0.72 0.00 0.00 41.12 40.33 1jsa n ASP 162 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1jsa n ASP 163 N -2.39 2.49 -3.20 1.67 8.00 -1.26 -4.35 116.55 117.51 1jsa n ASP 163 Ca 0.00 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.65 1jsa n ASP 163 Cb 0.00 -0.62 -0.01 0.00 -0.02 0.00 0.00 41.12 40.47 1jsa n ASP 163 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1jsa s ASP 164 N 2.34 -1.28 0.26 -2.24 1.01 -0.63 -5.15 116.67 110.97 1jsa s ASP 164 Ca 0.20 -0.40 -0.08 0.00 0.71 0.00 0.00 52.55 52.98 1jsa s ASP 164 Cb 0.10 1.85 -0.06 0.00 1.01 0.00 0.00 42.92 45.81 1jsa s ASP 164 CO 0.00 -0.24 0.56 -0.54 0.21 0.00 0.00 175.17 175.16 1jsa s LYS 165 N 2.28 3.74 0.03 8.23 3.01 -1.26 -3.91 119.74 131.87 1jsa s LYS 165 Ca 0.13 0.19 -0.20 0.00 -1.01 0.00 0.00 55.97 55.08 1jsa s LYS 165 Cb -0.08 -2.64 -0.06 0.00 -1.01 0.00 0.00 37.83 34.05 1jsa s LYS 165 CO -0.16 0.27 0.58 -1.17 0.51 0.00 0.00 175.35 175.38 1jsa s LEU 166 N -3.11 4.47 0.26 3.17 2.96 -1.02 -4.89 118.68 120.53 1jsa s LEU 166 Ca 0.46 1.21 0.10 0.00 -0.22 0.00 0.00 54.13 55.69 1jsa s LEU 166 Cb -0.11 -2.91 -0.05 0.00 0.50 0.00 0.00 46.19 43.62 1jsa s LEU 166 CO 0.25 0.19 -0.16 0.42 -1.32 0.00 0.00 176.35 175.72 1jsa s THR 167 N -0.65 2.15 0.37 3.68 -4.23 -1.26 -0.18 115.64 115.52 1jsa s THR 167 Ca 0.30 -2.31 0.11 0.00 -1.18 0.00 0.00 61.69 58.62 1jsa s THR 167 Cb -0.19 -2.26 0.11 0.00 1.34 0.00 0.00 72.50 71.51 1jsa s THR 167 CO 0.18 -0.44 1.26 -0.33 -0.54 0.00 0.00 174.62 174.75 1jsa h GLU 168 N 2.34 0.00 0.67 3.99 5.08 -1.98 -1.32 114.58 123.37 1jsa h GLU 168 Ca -0.40 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.94 1jsa h GLU 168 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1jsa h GLU 168 CO 0.62 0.00 -0.39 0.87 -1.00 0.00 0.00 179.01 179.11 1jsa h LYS 169 N 0.00 -0.96 0.07 2.33 1.79 -1.93 -3.21 116.57 114.66 1jsa h LYS 169 Ca 0.00 0.07 -0.31 0.00 -2.18 0.00 0.00 60.65 58.23 1jsa h LYS 169 Cb 1.10 0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 31.94 1jsa h LYS 169 CO 0.00 -0.64 -1.67 0.93 -1.08 0.00 0.00 179.45 176.99 1jsa h GLU 170 N -0.99 0.14 0.00 3.15 4.39 -1.68 -3.31 114.58 116.28 1jsa h GLU 170 Ca -0.08 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1jsa h GLU 170 Cb 0.80 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1jsa h GLU 170 CO 0.10 0.89 0.70 0.35 -1.16 0.00 0.00 179.01 179.89 1jsa h PHE 171 N 0.04 0.00 0.12 4.33 3.04 -1.47 1.82 116.94 124.82 1jsa h PHE 171 Ca -0.28 0.00 -0.36 0.00 3.98 0.00 0.00 57.97 61.30 1jsa h PHE 171 Cb 2.00 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 40.49 1jsa h PHE 171 CO 0.04 0.00 -2.01 -0.89 -2.02 0.00 0.00 178.31 173.43 1jsa n ILE 172 N -2.41 1.77 -0.03 1.41 5.41 -1.21 -4.06 119.36 120.24 1jsa n ILE 172 Ca -0.01 -0.64 -0.21 0.00 1.00 0.00 0.00 62.75 62.89 1jsa n ILE 172 Cb 0.72 -1.73 -0.13 0.00 -0.71 0.00 0.00 39.64 37.79 1jsa n ILE 172 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1jsa h GLU 173 N 0.05 0.16 -1.48 0.38 5.08 0.16 -2.44 114.58 116.50 1jsa h GLU 173 Ca -0.43 -0.27 0.43 0.00 -1.00 0.00 0.00 59.36 58.09 1jsa h GLU 173 Cb 2.02 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 31.31 1jsa h GLU 173 CO 0.08 1.13 1.07 0.78 -1.00 0.00 0.00 179.01 181.06 1jsa h GLY 174 N -0.26 0.03 0.74 -3.84 0.00 0.19 1.36 103.07 101.28 1jsa h GLY 174 Ca -0.28 -0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.73 1jsa h GLY 174 CO -0.01 -0.01 -1.88 -1.30 0.00 0.00 0.00 176.54 173.34 1jsa n THR 175 N -4.10 1.57 0.18 4.70 -2.24 -1.24 -3.61 114.28 109.55 1jsa n THR 175 Ca 0.33 -0.80 -0.07 0.00 -2.27 0.00 0.00 64.05 61.24 1jsa n THR 175 Cb 1.54 -0.97 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 1jsa n THR 175 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1jsa h LEU 176 N 0.00 -0.41 0.02 3.22 7.12 0.22 -3.35 115.31 122.14 1jsa h LEU 176 Ca -0.35 0.01 0.01 0.00 0.13 0.00 0.00 57.88 57.68 1jsa h LEU 176 Cb 2.06 0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 42.28 1jsa h LEU 176 CO 0.07 -0.22 -0.18 0.00 -0.13 0.00 0.00 178.44 177.98 1jsa h ALA 177 N -1.63 -0.68 -1.61 1.25 0.00 -1.20 -3.34 119.26 112.05 1jsa h ALA 177 Ca -0.05 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.28 1jsa h ALA 177 Cb 0.37 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1jsa h ALA 177 CO 0.08 -0.72 1.11 1.21 0.00 0.00 0.00 179.25 180.93 1jsa s ASN 178 N -3.22 6.11 0.16 0.00 2.47 -1.24 -4.84 114.94 114.38 1jsa s ASN 178 Ca -0.05 0.37 -0.02 0.00 0.42 0.00 0.00 52.86 53.58 1jsa s ASN 178 Cb 0.02 -2.54 -0.00 0.00 -1.45 0.00 0.00 41.25 37.27 1jsa s ASN 178 CO 0.20 -1.71 1.38 0.11 -3.72 0.00 0.00 177.10 173.37 1jsa h LYS 179 N 11.23 0.36 -0.90 0.43 1.79 -1.72 -3.24 116.57 124.53 1jsa h LYS 179 Ca -0.27 -0.34 0.25 0.00 -2.18 0.00 0.00 60.65 58.11 1jsa h LYS 179 Cb 1.10 0.09 -0.14 0.00 -1.58 0.00 0.00 32.23 31.69 1jsa h LYS 179 CO 1.17 1.01 0.26 0.93 -1.08 0.00 0.00 179.45 181.73 1jsa h GLU 180 N 0.22 0.20 0.00 3.15 5.08 -1.89 -2.10 114.58 119.24 1jsa h GLU 180 Ca -0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1jsa h GLU 180 Cb 1.43 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 1jsa h GLU 180 CO 0.14 0.13 -0.00 0.82 -1.00 0.00 0.00 179.01 179.10 1jsa h ILE 181 N 0.20 0.00 -1.05 3.13 2.04 -1.88 0.44 117.51 120.39 1jsa h ILE 181 Ca 0.58 0.00 0.41 0.00 1.00 0.00 0.00 64.86 66.85 1jsa h ILE 181 Cb 1.19 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 37.10 1jsa h ILE 181 CO -0.67 0.00 0.59 0.25 0.00 0.00 0.00 178.15 178.32 1jsa h LEU 182 N -0.01 0.34 -0.29 1.44 7.12 -1.56 1.27 115.31 123.62 1jsa h LEU 182 Ca -0.00 0.23 -0.14 0.00 0.13 0.00 0.00 57.88 58.10 1jsa h LEU 182 Cb 0.01 0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.35 1jsa h LEU 182 CO -0.00 -0.36 -0.68 0.03 -0.13 0.00 0.00 178.44 177.30 1jsa h ARG 183 N 0.06 0.00 0.00 1.25 3.08 -0.87 -3.23 114.38 114.67 1jsa h ARG 183 Ca 0.83 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.88 1jsa h ARG 183 Cb 2.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.27 1jsa h ARG 183 CO -0.70 0.68 0.00 -0.11 -1.07 0.00 0.00 179.97 178.77 1jsa n LEU 184 N -3.41 1.28 -1.42 3.04 0.00 0.43 -4.06 117.00 112.85 1jsa n LEU 184 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 56.01 56.27 1jsa n LEU 184 Cb 0.75 -0.27 0.00 0.00 0.00 0.00 0.00 43.42 43.90 1jsa n LEU 184 CO 0.42 -0.27 0.39 2.30 0.00 0.00 0.00 177.39 180.23 1jsa n ILE 185 N -1.37 0.77 -2.04 1.96 -5.35 -0.63 -4.72 119.36 107.98 1jsa n ILE 185 Ca 0.00 -0.14 -0.27 0.00 -0.27 0.00 0.00 62.75 62.07 1jsa n ILE 185 Cb 0.00 -1.03 -0.06 0.00 -1.74 0.00 0.00 39.64 36.81 1jsa n ILE 185 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1jsa s GLN 186 N 0.78 2.45 0.65 6.28 -0.44 -1.22 -4.92 119.66 123.24 1jsa s GLN 186 Ca 0.00 -0.93 -0.18 0.00 -2.50 0.00 0.00 55.36 51.75 1jsa s GLN 186 Cb 0.00 -5.19 -0.01 0.00 -1.64 0.00 0.00 33.01 26.17 1jsa s GLN 186 CO 0.00 -3.92 1.27 1.97 0.50 0.00 0.00 175.29 175.11 1jsa n PHE 187 N 14.56 1.86 1.67 1.67 -1.74 -1.26 -5.10 117.46 129.12 1jsa n PHE 187 Ca 0.44 0.42 0.15 0.00 -0.56 0.00 0.00 57.45 57.89 1jsa n PHE 187 Cb 0.47 -2.26 0.67 0.00 1.52 0.00 0.00 39.48 39.88 1jsa n PHE 187 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59