#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 7.04 0.48 1.61 2.47 -1.26 -4.88 114.94 120.40 1jsa s ASN 2 Ca 0.00 1.67 0.00 0.00 0.42 0.00 0.00 52.86 54.95 1jsa s ASN 2 Cb 0.00 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.28 1jsa s ASN 2 CO 0.00 -0.23 0.00 -0.24 -3.72 0.00 0.00 177.10 172.91 1jsa n SER 3 N -0.17 -7.38 -3.64 -4.21 2.88 -1.26 -4.98 113.62 94.86 1jsa n SER 3 Ca 0.05 1.07 -0.10 0.00 -1.33 0.00 0.00 58.87 58.55 1jsa n SER 3 Cb 0.53 -3.04 -0.04 0.00 -0.75 0.00 0.00 64.21 60.91 1jsa n SER 3 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1jsa s LYS 4 N -1.57 1.11 0.00 -1.46 -2.85 -1.26 -5.00 119.74 108.71 1jsa s LYS 4 Ca 0.00 -0.72 0.00 0.00 -1.00 0.00 0.00 55.97 54.25 1jsa s LYS 4 Cb 0.00 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.25 1jsa s LYS 4 CO 0.00 -0.44 0.37 0.43 0.10 0.00 0.00 175.35 175.81 1jsa n SER 5 N -0.24 0.96 0.00 0.03 7.64 -1.26 -4.90 113.62 115.85 1jsa n SER 5 Ca -0.15 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.68 1jsa n SER 5 Cb 0.64 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 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 0.45 1.15 1.90 0.23 0.00 -1.26 -4.21 105.19 103.45 1jsa n GLY 6 Ca 0.00 -1.02 0.01 0.00 0.00 0.00 0.00 46.02 45.01 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 4.04 2.80 -2.09 4.61 0.00 -1.26 -5.05 120.51 123.56 1jsa n ALA 7 Ca 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 53.44 50.73 1jsa n ALA 7 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1jsa n ALA 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1jsa n LEU 8 N -0.16 0.00 0.00 0.00 -0.00 -1.26 -4.98 117.00 110.60 1jsa n LEU 8 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 1jsa n LEU 8 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.38 1jsa n LEU 8 CO 0.03 0.00 0.00 -1.54 -0.00 0.00 0.00 177.39 175.88 1jsa n SER 9 N 0.00 0.00 0.26 1.45 3.41 -1.26 -3.99 113.62 113.49 1jsa n SER 9 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1jsa n SER 9 Cb 0.00 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 64.68 1jsa n SER 9 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1jsa h LYS 10 N 0.00 0.00 0.11 4.33 3.64 -1.96 0.65 116.57 123.33 1jsa h LYS 10 Ca 0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 1jsa h LYS 10 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1jsa h LYS 10 CO 0.00 0.11 -1.45 0.93 -2.27 0.00 0.00 179.45 176.77 1jsa h GLU 11 N 0.00 0.23 0.00 1.90 3.07 -1.94 -3.23 114.58 114.60 1jsa h GLU 11 Ca -0.00 -0.38 -0.05 0.00 -0.50 0.00 0.00 59.36 58.43 1jsa h GLU 11 Cb 0.30 0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1jsa h GLU 11 CO 0.01 1.10 -0.33 0.82 -1.40 0.00 0.00 179.01 179.21 1jsa h ILE 12 N 0.06 0.88 -0.83 3.13 2.04 -1.70 -3.29 117.51 117.81 1jsa h ILE 12 Ca -0.21 -1.76 0.24 0.00 1.00 0.00 0.00 64.86 64.13 1jsa h ILE 12 Cb 1.99 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 39.80 1jsa h ILE 12 CO 0.16 0.30 0.68 -0.07 0.00 0.00 0.00 178.15 179.22 1jsa h LEU 13 N -1.00 0.00 -0.94 1.44 3.38 0.09 1.78 115.31 120.06 1jsa h LEU 13 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1jsa h LEU 13 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1jsa h LEU 13 CO -0.04 0.00 0.28 1.21 0.09 0.00 0.00 178.44 179.97 1jsa n GLU 14 N -4.00 0.10 0.00 1.13 2.13 -1.22 0.30 120.64 119.07 1jsa n GLU 14 Ca 0.17 0.58 0.14 0.00 0.66 0.00 0.00 57.16 58.71 1jsa n GLU 14 Cb 0.97 -2.09 0.52 0.00 0.27 0.00 0.00 31.44 31.11 1jsa n GLU 14 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1jsa n GLU 15 N -2.09 0.32 -0.29 5.31 -0.58 0.60 -4.27 120.64 119.65 1jsa n GLU 15 Ca -0.01 -0.11 0.24 0.00 -0.42 0.00 0.00 57.16 56.86 1jsa n GLU 15 Cb 0.30 -1.50 0.39 0.00 -0.57 0.00 0.00 31.44 30.06 1jsa n GLU 15 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1jsa n LEU 16 N -1.24 0.09 0.10 -4.62 -0.00 0.87 0.19 117.00 112.38 1jsa n LEU 16 Ca 0.10 0.71 -0.13 0.00 -0.00 0.00 0.00 56.01 56.69 1jsa n LEU 16 Cb 0.31 -0.35 -0.08 0.00 -0.00 0.00 0.00 43.42 43.30 1jsa n LEU 16 CO 0.27 -0.76 0.76 -0.61 -0.00 0.00 0.00 177.39 177.06 1jsa h GLN 17 N 0.00 -0.19 -0.99 1.47 -0.00 -1.80 -2.66 115.11 110.94 1jsa h GLN 17 Ca 0.49 0.01 0.14 0.00 -0.00 0.00 0.00 58.65 59.29 1jsa h GLN 17 Cb 1.68 0.04 -0.09 0.00 0.00 0.00 0.00 27.48 29.11 1jsa h GLN 17 CO -0.20 -0.03 0.62 1.25 0.00 0.00 0.00 178.83 180.48 1jsa h LEU 18 N -0.30 0.87 -7.00 -2.39 7.12 0.18 -3.43 115.31 110.35 1jsa h LEU 18 Ca -0.02 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.04 1jsa h LEU 18 Cb 0.24 -0.11 -0.22 0.00 -0.53 0.00 0.00 40.66 40.04 1jsa h LEU 18 CO 0.03 0.42 0.25 0.21 -0.13 0.00 0.00 178.44 179.22 1jsa s ASN 19 N -5.63 -0.64 0.65 1.25 3.84 -1.01 -4.93 114.94 108.48 1jsa s ASN 19 Ca -0.12 1.14 0.37 0.00 0.21 0.00 0.00 52.86 54.47 1jsa s ASN 19 Cb 0.23 1.13 2.08 0.00 -0.55 0.00 0.00 41.25 44.14 1jsa s ASN 19 CO 0.81 -0.27 2.22 0.74 -2.79 0.00 0.00 177.10 177.80 1jsa h THR 20 N 3.69 0.14 -3.70 -5.21 2.02 -1.83 -3.36 112.91 104.65 1jsa h THR 20 Ca -0.28 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.13 1jsa h THR 20 Cb 1.16 0.90 -0.13 0.00 -1.74 0.00 0.00 68.15 68.35 1jsa h THR 20 CO 0.12 0.00 -1.21 0.29 0.37 0.00 0.00 175.52 175.09 1jsa n LYS 21 N -3.24 -3.72 -0.96 6.66 5.02 -1.26 -4.89 118.16 115.76 1jsa n LYS 21 Ca -0.02 2.99 -0.30 0.00 -2.02 0.00 0.00 58.31 58.96 1jsa n LYS 21 Cb 0.18 -4.06 0.24 0.00 -0.02 0.00 0.00 35.03 31.37 1jsa n LYS 21 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1jsa s PHE 22 N -4.76 0.57 -0.73 2.13 0.08 -1.26 -4.70 117.98 109.31 1jsa s PHE 22 Ca 0.00 0.60 -0.32 0.00 0.12 0.00 0.00 56.93 57.33 1jsa s PHE 22 Cb 0.00 -3.33 -0.16 0.00 -0.57 0.00 0.00 43.02 38.95 1jsa s PHE 22 CO 0.00 -3.93 2.50 -2.37 -0.10 0.00 0.00 175.22 171.32 1jsa n THR 23 N -4.83 0.00 -0.40 0.64 5.66 -1.26 -4.64 114.28 109.45 1jsa n THR 23 Ca 0.11 -0.24 0.35 0.00 -3.05 0.00 0.00 64.05 61.22 1jsa n THR 23 Cb 0.59 -1.26 0.54 0.00 -1.55 0.00 0.00 70.33 68.65 1jsa n THR 23 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1jsa n GLU 24 N 8.49 0.01 0.07 1.09 0.00 -1.26 0.20 120.64 129.24 1jsa n GLU 24 Ca 0.54 0.90 0.04 0.00 0.00 0.00 0.00 57.16 58.64 1jsa n GLU 24 Cb 0.19 -2.15 0.21 0.00 0.00 0.00 0.00 31.44 29.68 1jsa n GLU 24 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1jsa n GLU 25 N -3.30 0.05 -0.06 3.44 0.00 -1.26 -1.37 120.64 118.13 1jsa n GLU 25 Ca 0.29 0.48 -0.10 0.00 0.00 0.00 0.00 57.16 57.84 1jsa n GLU 25 Cb 1.53 -1.80 -0.09 0.00 0.00 0.00 0.00 31.44 31.08 1jsa n GLU 25 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1jsa h GLU 26 N 0.00 0.00 0.00 5.31 4.57 0.20 -3.22 114.58 121.44 1jsa h GLU 26 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jsa h GLU 26 Cb 0.27 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1jsa h GLU 26 CO 0.00 0.71 0.01 1.28 -1.18 0.00 0.00 179.01 179.83 1jsa n LEU 27 N -4.66 0.00 -0.07 1.64 4.32 -0.47 -1.50 117.00 116.27 1jsa n LEU 27 Ca -0.07 0.05 -0.05 0.00 -0.02 0.00 0.00 56.01 55.91 1jsa n LEU 27 Cb 0.34 -0.05 -0.03 0.00 -1.62 0.00 0.00 43.42 42.07 1jsa n LEU 27 CO 0.24 -0.05 -0.24 0.77 -1.22 0.00 0.00 177.39 176.89 1jsa h SER 28 N 0.00 0.00 1.37 -1.43 4.64 -1.56 -3.32 113.55 113.25 1jsa h SER 28 Ca 0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1jsa h SER 28 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1jsa h SER 28 CO 0.00 0.77 0.00 0.28 -0.87 0.00 0.00 176.83 177.01 1jsa h SER 29 N -1.00 0.00 -0.38 4.97 0.02 -1.51 -3.10 113.55 112.56 1jsa h SER 29 Ca -0.03 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.82 1jsa h SER 29 Cb 0.47 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1jsa h SER 29 CO -0.02 0.00 -0.12 -0.25 -1.14 0.00 0.00 176.83 175.30 1jsa h TRP 30 N 0.00 0.91 0.01 3.45 2.91 -1.44 -0.82 115.95 120.97 1jsa h TRP 30 Ca 0.00 -0.17 0.01 0.00 1.13 0.00 0.00 58.89 59.85 1jsa h TRP 30 Cb 0.69 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 29.10 1jsa h TRP 30 CO 0.00 0.89 -0.04 -0.92 -1.03 0.00 0.00 178.44 177.35 1jsa h TYR 31 N 0.74 -0.10 0.03 2.65 3.20 -1.64 -1.08 116.97 120.78 1jsa h TYR 31 Ca 0.12 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 1jsa h TYR 31 Cb 0.62 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1jsa h TYR 31 CO 0.03 -0.06 -0.01 0.37 -1.64 0.00 0.00 178.16 176.85 1jsa h GLN 32 N -0.08 -0.04 -0.21 1.82 4.15 -1.67 -2.13 115.11 116.96 1jsa h GLN 32 Ca 0.01 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.50 1jsa h GLN 32 Cb 0.09 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1jsa h GLN 32 CO -0.03 0.42 0.42 0.77 -1.93 0.00 0.00 178.83 178.47 1jsa h SER 33 N -0.50 0.00 0.58 -0.69 0.02 -1.10 0.56 113.55 112.41 1jsa h SER 33 Ca -0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.66 1jsa h SER 33 Cb 0.47 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1jsa h SER 33 CO 0.01 0.00 -1.43 0.15 -1.14 0.00 0.00 176.83 174.41 1jsa h PHE 34 N 0.00 0.30 0.00 3.45 3.04 -0.87 -3.11 116.94 119.75 1jsa h PHE 34 Ca 0.10 -0.22 -0.01 0.00 3.98 0.00 0.00 57.97 61.82 1jsa h PHE 34 Cb 0.93 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.43 1jsa h PHE 34 CO 0.00 1.25 -0.04 -0.07 -2.02 0.00 0.00 178.31 177.43 1jsa h LEU 35 N 0.05 0.00 0.00 0.59 3.38 0.77 0.33 115.31 120.42 1jsa h LEU 35 Ca -0.20 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1jsa h LEU 35 Cb 1.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.71 1jsa h LEU 35 CO 0.15 0.04 -0.75 0.11 0.09 0.00 0.00 178.44 178.08 1jsa h LYS 36 N 0.00 0.00 0.00 1.13 1.57 -1.51 -2.96 116.57 114.80 1jsa h LYS 36 Ca -0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 1jsa h LYS 36 Cb 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1jsa h LYS 36 CO 0.00 0.11 -1.33 1.49 -0.57 0.00 0.00 179.45 179.16 1jsa h GLU 37 N 0.00 0.00 -1.38 3.15 4.57 -1.04 -3.42 114.58 116.45 1jsa h GLU 37 Ca -0.03 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.87 1jsa h GLU 37 Cb 1.15 0.00 -0.22 0.00 -0.16 0.00 0.00 28.75 29.51 1jsa h GLU 37 CO 0.02 0.68 -0.64 0.00 -1.18 0.00 0.00 179.01 177.89 1jsa s PRO 39 N 0.62 2.21 0.00 0.00 0.02 -1.12 -3.88 135.00 132.85 1jsa s PRO 39 Ca 0.31 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.42 1jsa s PRO 39 Cb 0.02 -4.56 0.00 0.00 0.02 0.00 0.00 34.50 29.98 1jsa s PRO 39 CO -0.10 -3.22 0.00 -1.13 -0.33 0.00 0.00 177.00 172.22 1jsa n SER 40 N 15.23 0.00 0.00 2.53 3.41 -1.26 -5.00 113.62 128.53 1jsa n SER 40 Ca 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1jsa n SER 40 Cb 0.53 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 1jsa n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jsa n GLY 41 N -1.08 0.71 2.87 5.00 0.00 -1.25 -4.99 105.19 106.45 1jsa n GLY 41 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.19 0.35 -0.12 1.61 0.52 -1.26 -4.42 118.95 115.45 1jsa s ARG 42 Ca 0.00 0.24 -0.23 0.00 -0.52 0.00 0.00 55.73 55.22 1jsa s ARG 42 Cb 0.00 -0.51 -0.03 0.00 0.52 0.00 0.00 34.95 34.93 1jsa s ARG 42 CO 0.00 -0.86 0.70 0.42 0.02 0.00 0.00 175.30 175.59 1jsa s ILE 43 N 2.49 5.01 0.29 1.52 1.01 -0.74 -4.85 121.20 125.93 1jsa s ILE 43 Ca 0.11 1.41 0.03 0.00 0.00 0.00 0.00 60.65 62.20 1jsa s ILE 43 Cb -0.14 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 1jsa s ILE 43 CO -0.24 0.18 0.44 -0.89 0.00 0.00 0.00 174.94 174.43 1jsa s THR 44 N 1.30 5.07 0.58 2.92 2.01 -1.26 -0.93 115.64 125.33 1jsa s THR 44 Ca 0.35 -0.79 0.39 0.00 0.31 0.00 0.00 61.69 61.95 1jsa s THR 44 Cb -0.17 -3.81 0.39 0.00 0.01 0.00 0.00 72.50 68.91 1jsa s THR 44 CO 0.15 -0.40 2.19 -0.09 -0.69 0.00 0.00 174.62 175.78 1jsa h ARG 45 N 0.98 0.00 -0.02 4.92 1.12 -1.97 -0.94 114.38 118.47 1jsa h ARG 45 Ca -0.51 0.00 -0.25 0.00 -1.11 0.00 0.00 59.98 58.12 1jsa h ARG 45 Cb 1.23 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 31.20 1jsa h ARG 45 CO 0.60 0.00 -0.98 0.37 -3.11 0.00 0.00 179.97 176.85 1jsa h GLN 46 N 0.00 0.62 0.00 0.20 4.15 -1.98 -3.29 115.11 114.81 1jsa h GLN 46 Ca 0.00 -0.64 -0.20 0.00 0.77 0.00 0.00 58.65 58.57 1jsa h GLN 46 Cb 0.16 0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 1jsa h GLN 46 CO 0.00 1.25 -1.10 1.49 -1.93 0.00 0.00 178.83 178.54 1jsa h GLU 47 N 0.36 0.00 -0.94 1.69 4.81 -1.60 -3.32 114.58 115.57 1jsa h GLU 47 Ca -0.11 0.00 0.28 0.00 -0.13 0.00 0.00 59.36 59.41 1jsa h GLU 47 Cb 1.62 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.85 1jsa h GLU 47 CO 0.19 0.74 0.35 0.35 -0.73 0.00 0.00 179.01 179.90 1jsa h PHE 48 N 0.00 0.54 -0.06 0.92 3.04 -1.35 1.76 116.94 121.80 1jsa h PHE 48 Ca -0.08 0.05 0.02 0.00 3.98 0.00 0.00 57.97 61.93 1jsa h PHE 48 Cb 1.74 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 40.16 1jsa h PHE 48 CO 0.00 -0.24 0.09 0.37 -2.02 0.00 0.00 178.31 176.51 1jsa h GLN 49 N 0.21 0.00 0.00 1.11 5.75 -1.71 -1.98 115.11 118.49 1jsa h GLN 49 Ca 0.64 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.14 1jsa h GLN 49 Cb 1.40 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.95 1jsa h GLN 49 CO -0.67 0.00 0.00 2.41 -2.65 0.00 0.00 178.83 177.92 1jsa n THR 50 N -3.56 0.00 -0.31 2.39 -1.04 0.60 -3.06 114.28 109.30 1jsa n THR 50 Ca -0.02 0.50 0.13 0.00 -2.04 0.00 0.00 64.05 62.63 1jsa n THR 50 Cb 0.18 -1.45 0.31 0.00 -1.82 0.00 0.00 70.33 67.55 1jsa n THR 50 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 1jsa h ILE 51 N 0.00 0.47 0.00 12.58 2.10 -1.53 0.76 117.51 131.89 1jsa h ILE 51 Ca 0.00 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.80 1jsa h ILE 51 Cb 0.00 0.04 0.00 0.00 -1.09 0.00 0.00 36.82 35.77 1jsa h ILE 51 CO 0.00 0.07 0.00 0.22 -1.08 0.00 0.00 178.15 177.36 1jsa h TYR 52 N 0.40 0.00 -0.07 2.19 3.20 -1.52 -2.14 116.97 119.04 1jsa h TYR 52 Ca 0.56 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.43 1jsa h TYR 52 Cb 1.07 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.34 1jsa h TYR 52 CO -0.14 0.00 0.00 0.43 -1.64 0.00 0.00 178.16 176.81 1jsa n SER 53 N -2.47 1.57 0.05 -2.11 7.64 0.26 -3.77 113.62 114.80 1jsa n SER 53 Ca 0.01 -1.57 0.12 0.00 1.01 0.00 0.00 58.87 58.44 1jsa n SER 53 Cb 0.21 -0.03 0.09 0.00 -1.01 0.00 0.00 64.21 63.47 1jsa n SER 53 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1jsa n LYS 54 N 0.24 0.33 -1.30 1.43 5.02 -0.80 -4.09 118.16 118.98 1jsa n LYS 54 Ca 0.18 0.05 -0.32 0.00 -2.02 0.00 0.00 58.31 56.21 1jsa n LYS 54 Cb 0.35 -1.67 0.10 0.00 -0.02 0.00 0.00 35.03 33.80 1jsa n LYS 54 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1jsa n PHE 55 N -2.12 3.17 -3.69 2.13 3.72 -1.25 -4.93 117.46 114.50 1jsa n PHE 55 Ca 0.02 -2.73 -0.14 0.00 -0.05 0.00 0.00 57.45 54.55 1jsa n PHE 55 Cb 0.45 -1.33 -0.08 0.00 -0.94 0.00 0.00 39.48 37.58 1jsa n PHE 55 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1jsa s PHE 56 N -3.66 -0.38 0.00 1.38 0.08 -1.26 -5.10 117.98 109.04 1jsa s PHE 56 Ca 0.62 0.71 0.00 0.00 0.12 0.00 0.00 56.93 58.39 1jsa s PHE 56 Cb 0.50 0.19 0.00 0.00 -0.57 0.00 0.00 43.02 43.14 1jsa s PHE 56 CO 0.02 -0.41 0.54 -2.30 -0.10 0.00 0.00 175.22 172.97 1jsa n PRO 57 N 1.57 0.00 -1.15 0.24 -0.01 -1.26 -4.80 135.00 129.59 1jsa n PRO 57 Ca -0.19 0.18 -0.04 0.00 -0.01 0.00 0.00 63.50 63.44 1jsa n PRO 57 Cb 0.56 -1.04 -0.02 0.00 -0.01 0.00 0.00 33.50 33.00 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 -0.76 0.20 0.00 -0.52 4.07 -1.26 -5.11 120.64 117.25 1jsa n GLU 58 Ca 0.00 -0.73 0.00 0.00 -0.06 0.00 0.00 57.16 56.37 1jsa n GLU 58 Cb 0.00 0.46 0.00 0.00 -0.06 0.00 0.00 31.44 31.84 1jsa n GLU 58 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jsa n ALA 59 N -0.22 0.00 -2.89 4.31 0.00 -1.26 -5.02 120.51 115.43 1jsa n ALA 59 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 1jsa n ALA 59 Cb 0.61 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.10 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 -1.00 0.00 0.00 8.00 -0.79 -4.90 116.55 117.86 1jsa n ASP 60 Ca 0.00 -3.32 0.07 0.00 0.71 0.00 0.00 54.79 52.25 1jsa n ASP 60 Cb 0.00 0.84 0.41 0.00 -0.02 0.00 0.00 41.12 42.35 1jsa n ASP 60 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1jsa n PRO 61 N 0.24 0.45 -0.33 -0.24 -0.04 -1.26 -3.67 135.00 130.15 1jsa n PRO 61 Ca 0.12 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.76 1jsa n PRO 61 Cb 0.70 -1.48 0.35 0.00 -0.04 0.00 0.00 33.50 33.03 1jsa n PRO 61 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1jsa h LYS 62 N 0.00 0.03 0.00 0.54 6.56 -1.92 2.91 116.57 124.68 1jsa h LYS 62 Ca 0.00 -0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.48 1jsa h LYS 62 Cb 0.00 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.64 1jsa h LYS 62 CO 0.00 0.02 -0.53 0.00 -2.06 0.00 0.00 179.45 176.88 1jsa h ALA 63 N 1.97 0.80 0.00 3.86 0.00 -1.88 -3.23 119.26 120.78 1jsa h ALA 63 Ca 0.65 -0.48 -0.27 0.00 0.00 0.00 0.00 54.91 54.81 1jsa h ALA 63 Cb 1.43 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1jsa h ALA 63 CO -0.86 0.66 -1.59 -0.92 0.00 0.00 0.00 179.25 176.54 1jsa h TYR 64 N 0.00 0.00 0.00 0.00 3.20 0.26 -3.32 116.97 117.11 1jsa h TYR 64 Ca -0.01 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1jsa h TYR 64 Cb 1.19 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 1jsa h TYR 64 CO 0.00 0.95 -0.21 0.00 -1.64 0.00 0.00 178.16 177.27 1jsa h ALA 65 N 1.05 1.55 0.00 1.82 0.00 0.42 -1.46 119.26 122.64 1jsa h ALA 65 Ca -0.24 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.48 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 0.08 0.26 -0.31 1.04 0.00 0.00 0.00 179.25 180.32 1jsa n GLN 66 N -4.14 0.11 0.00 0.00 6.02 -1.22 -3.30 117.38 114.86 1jsa n GLN 66 Ca -0.02 0.06 0.13 0.00 -0.01 0.00 0.00 57.00 57.15 1jsa n GLN 66 Cb 0.27 -1.59 0.40 0.00 1.02 0.00 0.00 30.24 30.34 1jsa n GLN 66 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1jsa n HIS 67 N -1.77 0.00 0.74 1.08 8.25 -0.56 -3.57 115.22 119.38 1jsa n HIS 67 Ca 0.05 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.64 1jsa n HIS 67 Cb 0.38 -0.33 0.41 0.00 1.12 0.00 0.00 29.99 31.57 1jsa n HIS 67 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1jsa n VAL 68 N -1.45 0.36 0.00 1.59 0.31 -1.16 -4.02 118.33 113.96 1jsa n VAL 68 Ca 0.07 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1jsa n VAL 68 Cb 0.33 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 1jsa n VAL 68 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1jsa n PHE 69 N -1.99 0.00 0.15 3.52 7.35 -1.23 -2.59 117.46 122.66 1jsa n PHE 69 Ca 0.06 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.78 1jsa n PHE 69 Cb 0.40 -0.44 0.19 0.00 0.35 0.00 0.00 39.48 39.98 1jsa n PHE 69 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1jsa n ARG 70 N -1.83 0.05 -0.25 -4.13 3.00 -1.26 -0.01 116.66 112.23 1jsa n ARG 70 Ca 0.00 0.49 -0.06 0.00 -0.00 0.00 0.00 57.85 58.28 1jsa n ARG 70 Cb 0.00 -2.14 0.05 0.00 0.00 0.00 0.00 32.46 30.37 1jsa n ARG 70 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1jsa h SER 71 N 0.00 0.93 -0.46 6.15 0.87 -1.63 -3.38 113.55 116.03 1jsa h SER 71 Ca 0.00 -0.15 -0.28 0.00 -1.23 0.00 0.00 61.79 60.12 1jsa h SER 71 Cb 0.94 -0.24 -0.25 0.00 -0.44 0.00 0.00 62.40 62.41 1jsa h SER 71 CO 0.00 0.82 -0.69 0.33 -0.53 0.00 0.00 176.83 176.76 1jsa n PHE 72 N -4.41 -1.15 -2.00 2.24 7.35 0.98 -4.73 117.46 115.74 1jsa n PHE 72 Ca 0.05 -2.35 -0.03 0.00 -0.76 0.00 0.00 57.45 54.36 1jsa n PHE 72 Cb 0.15 0.82 -0.03 0.00 0.35 0.00 0.00 39.48 40.77 1jsa n PHE 72 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1jsa n ASP 73 N -0.27 -0.45 -1.22 -2.13 2.03 -0.96 -4.91 116.55 108.64 1jsa n ASP 73 Ca 0.04 -1.44 0.06 0.00 0.52 0.00 0.00 54.79 53.96 1jsa n ASP 73 Cb 0.81 0.13 0.25 0.00 -0.72 0.00 0.00 41.12 41.60 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 0.00 3.03 0.70 -1.67 0.00 -1.26 -4.37 120.51 116.94 1jsa n ALA 74 Ca -0.13 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.20 1jsa n ALA 74 Cb 0.59 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 0.63 1.60 -3.04 0.00 0.23 -1.26 -4.71 115.26 108.71 1jsa n ASN 75 Ca 0.18 -1.41 -0.22 0.00 -0.53 0.00 0.00 54.58 52.60 1jsa n ASN 75 Cb 0.70 -0.35 0.02 0.00 -2.08 0.00 0.00 39.78 38.06 1jsa n ASN 75 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1jsa n SER 76 N 0.47 -5.24 -0.04 0.53 2.88 -1.26 -4.85 113.62 106.10 1jsa n SER 76 Ca 0.00 -0.26 -0.12 0.00 -1.33 0.00 0.00 58.87 57.15 1jsa n SER 76 Cb 0.29 -4.28 -0.14 0.00 -0.75 0.00 0.00 64.21 59.33 1jsa n SER 76 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1jsa n ASP 77 N -2.37 1.06 0.00 -3.46 2.03 -1.26 -4.96 116.55 107.58 1jsa n ASP 77 Ca -0.10 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1jsa n ASP 77 Cb 0.60 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 1jsa n ASP 77 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jsa n GLY 78 N 1.74 2.89 3.19 0.27 0.00 -1.26 -4.94 105.19 107.07 1jsa n GLY 78 Ca -0.26 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.26 0.15 -0.26 2.61 -4.23 -1.26 -4.63 115.64 106.76 1jsa s THR 79 Ca 0.00 -1.35 -0.09 0.00 -1.18 0.00 0.00 61.69 59.07 1jsa s THR 79 Cb 0.00 -1.43 -0.04 0.00 1.34 0.00 0.00 72.50 72.37 1jsa s THR 79 CO 0.00 -0.70 0.14 -0.76 -0.54 0.00 0.00 174.62 172.75 1jsa s LEU 80 N -2.89 3.78 0.36 4.79 1.43 -0.11 -4.90 118.68 121.14 1jsa s LEU 80 Ca 0.07 -0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.01 1jsa s LEU 80 Cb 0.06 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 1jsa s LEU 80 CO -0.10 -0.03 0.67 -1.81 0.23 0.00 0.00 176.35 175.31 1jsa s ASP 81 N 1.64 6.45 0.21 2.29 1.11 -1.26 -1.80 116.67 125.31 1jsa s ASP 81 Ca 0.07 0.90 -0.18 0.00 0.18 0.00 0.00 52.55 53.52 1jsa s ASP 81 Cb -0.15 -2.22 0.19 0.00 1.07 0.00 0.00 42.92 41.80 1jsa s ASP 81 CO 0.08 -0.33 1.59 0.15 1.18 0.00 0.00 175.17 177.84 1jsa h PHE 82 N 1.30 -0.81 -0.97 4.23 3.57 -1.99 0.48 116.94 122.76 1jsa h PHE 82 Ca -0.47 0.08 0.26 0.00 3.53 0.00 0.00 57.97 61.36 1jsa h PHE 82 Cb 1.19 0.46 -0.13 0.00 2.79 0.00 0.00 35.95 40.25 1jsa h PHE 82 CO 0.59 -0.37 0.51 -0.22 -2.23 0.00 0.00 178.31 176.58 1jsa h LYS 83 N -0.10 0.41 0.01 1.11 3.64 -1.97 -0.09 116.57 119.60 1jsa h LYS 83 Ca 0.28 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.50 1jsa h LYS 83 Cb 0.56 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1jsa h LYS 83 CO -0.75 0.27 -0.53 0.93 -2.27 0.00 0.00 179.45 177.10 1jsa h GLU 84 N 0.42 0.34 -1.24 1.90 5.08 -0.59 -3.23 114.58 117.26 1jsa h GLU 84 Ca 0.64 -0.38 0.36 0.00 -1.00 0.00 0.00 59.36 58.98 1jsa h GLU 84 Cb 1.31 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 30.59 1jsa h GLU 84 CO -0.55 1.08 0.85 -0.92 -1.00 0.00 0.00 179.01 178.47 1jsa h TYR 85 N -0.24 0.33 0.06 4.33 3.20 0.12 0.14 116.97 124.91 1jsa h TYR 85 Ca -0.07 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 1jsa h TYR 85 Cb 1.28 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.46 1jsa h TYR 85 CO 0.16 -0.03 -0.03 0.28 -1.64 0.00 0.00 178.16 176.91 1jsa h VAL 86 N 0.15 1.15 -0.88 1.81 2.07 -1.38 -0.28 116.25 118.88 1jsa h VAL 86 Ca 0.67 -0.73 0.16 0.00 0.82 0.00 0.00 66.70 67.62 1jsa h VAL 86 Cb 2.23 1.63 -0.07 0.00 -1.52 0.00 0.00 31.29 33.56 1jsa h VAL 86 CO -0.19 0.18 0.57 0.40 0.02 0.00 0.00 177.57 178.55 1jsa h ILE 87 N -0.41 0.79 0.27 4.57 1.08 -0.83 0.82 117.51 123.80 1jsa h ILE 87 Ca -0.01 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 1jsa h ILE 87 Cb 0.36 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.25 1jsa h ILE 87 CO 0.01 0.11 -0.13 0.00 -0.69 0.00 0.00 178.15 177.45 1jsa h ALA 88 N 1.61 -0.36 -0.08 1.87 0.00 -1.24 -1.19 119.26 119.86 1jsa h ALA 88 Ca 0.45 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1jsa h ALA 88 Cb 0.85 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1jsa h ALA 88 CO -0.20 -0.35 0.06 -0.07 0.00 0.00 0.00 179.25 178.70 1jsa h LEU 89 N -1.08 0.00 0.06 0.00 -0.00 -0.74 -1.50 115.31 112.05 1jsa h LEU 89 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1jsa h LEU 89 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1jsa h LEU 89 CO 0.06 0.00 -0.03 -0.74 -0.00 0.00 0.00 178.44 177.73 1jsa h HIS 90 N 0.00 -0.08 -0.01 1.13 2.76 0.60 -3.20 115.15 116.35 1jsa h HIS 90 Ca 0.04 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1jsa h HIS 90 Cb 0.17 0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.15 1jsa h HIS 90 CO 0.00 0.52 0.05 1.98 -1.30 0.00 0.00 177.93 179.17 1jsa h MET 91 N -0.87 0.00 -1.23 5.26 1.85 -0.92 0.22 114.93 119.23 1jsa h MET 91 Ca -0.01 0.00 0.36 0.00 -0.61 0.00 0.00 59.70 59.44 1jsa h MET 91 Cb 0.63 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.61 1jsa h MET 91 CO 0.01 0.00 1.06 1.15 -0.40 0.00 0.00 176.91 178.73 1jsa h THR 92 N 0.00 0.17 0.00 -0.77 2.02 -1.28 -3.35 112.91 109.71 1jsa h THR 92 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1jsa h THR 92 Cb 0.10 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1jsa h THR 92 CO -0.00 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.35 1jsa n SER 93 N -3.75 0.00 -4.67 4.18 3.41 -0.88 -5.10 113.62 106.80 1jsa n SER 93 Ca 0.27 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.42 1jsa n SER 93 Cb 1.44 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 65.35 1jsa n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jsa n ALA 94 N -0.98 1.26 0.00 7.33 0.00 0.71 -4.91 120.51 123.92 1jsa n ALA 94 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1jsa n ALA 94 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.05 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 3.73 2.11 0.00 0.00 0.00 -1.26 -4.46 105.19 105.30 1jsa n GLY 95 Ca 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1jsa n GLY 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jsa n LYS 96 N -0.41 0.00 -0.18 1.61 5.02 -1.26 -4.96 118.16 117.98 1jsa n LYS 96 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 1jsa n LYS 96 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.09 1jsa n LYS 96 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1jsa n THR 97 N 0.00 1.21 -3.63 -0.18 5.66 -1.26 -5.03 114.28 111.05 1jsa n THR 97 Ca 0.00 -1.44 -0.13 0.00 -3.05 0.00 0.00 64.05 59.44 1jsa n THR 97 Cb 0.00 0.09 -0.07 0.00 -1.55 0.00 0.00 70.33 68.80 1jsa n THR 97 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1jsa s ASN 98 N -2.06 -0.66 -0.22 1.09 4.22 -1.26 -5.05 114.94 110.99 1jsa s ASN 98 Ca 0.19 1.24 -0.02 0.00 -2.14 0.00 0.00 52.86 52.13 1jsa s ASN 98 Cb 0.17 1.25 0.00 0.00 1.28 0.00 0.00 41.25 43.94 1jsa s ASN 98 CO 0.02 -0.24 0.06 1.67 -2.04 0.00 0.00 177.10 176.56 1jsa n GLN 99 N 2.44 -2.28 0.00 3.55 7.27 -1.26 -4.98 117.38 122.11 1jsa n GLN 99 Ca -0.14 2.00 0.00 0.00 0.07 0.00 0.00 57.00 58.94 1jsa n GLN 99 Cb 0.55 -4.04 0.00 0.00 2.41 0.00 0.00 30.24 29.16 1jsa n GLN 99 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1jsa n LYS 100 N 0.36 0.00 0.18 3.69 4.81 -1.26 -4.78 118.16 121.17 1jsa n LYS 100 Ca 0.01 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.49 1jsa n LYS 100 Cb 0.05 0.00 0.35 0.00 0.02 0.00 0.00 35.03 35.44 1jsa n LYS 100 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1jsa h LEU 101 N 0.00 0.00 -0.26 3.14 4.07 -1.98 -3.14 115.31 117.14 1jsa h LEU 101 Ca 0.00 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.02 1jsa h LEU 101 Cb 0.00 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.68 1jsa h LEU 101 CO 0.00 0.40 -0.12 -0.08 -1.08 0.00 0.00 178.44 177.56 1jsa h GLU 102 N 0.00 -0.09 -0.12 1.13 4.81 -1.93 0.28 114.58 118.67 1jsa h GLU 102 Ca -0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1jsa h GLU 102 Cb 0.82 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 1jsa h GLU 102 CO 0.05 -0.06 0.01 -1.49 -0.73 0.00 0.00 179.01 176.79 1jsa h TRP 103 N -0.09 0.16 0.00 0.92 6.55 -1.94 -1.08 115.95 120.47 1jsa h TRP 103 Ca 0.14 -0.00 -0.05 0.00 0.95 0.00 0.00 58.89 59.93 1jsa h TRP 103 Cb 0.30 -0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 28.54 1jsa h TRP 103 CO -0.31 0.17 -0.21 0.00 -1.05 0.00 0.00 178.44 177.04 1jsa h ALA 104 N 1.85 1.32 0.00 1.49 0.00 -0.99 -2.71 119.26 120.22 1jsa h ALA 104 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1jsa h ALA 104 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jsa h ALA 104 CO 0.00 0.27 0.39 0.34 0.00 0.00 0.00 179.25 180.25 1jsa n PHE 105 N -3.82 0.22 -0.09 0.00 -0.00 -0.41 -0.54 117.46 112.83 1jsa n PHE 105 Ca -0.02 0.12 -0.19 0.00 -0.00 0.00 0.00 57.45 57.36 1jsa n PHE 105 Cb 0.31 -0.40 -0.12 0.00 -0.00 0.00 0.00 39.48 39.27 1jsa n PHE 105 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 1jsa h SER 106 N 0.00 0.02 -0.93 -2.13 0.02 -1.67 -3.20 113.55 105.66 1jsa h SER 106 Ca 0.00 -0.71 0.07 0.00 -0.84 0.00 0.00 61.79 60.31 1jsa h SER 106 Cb 0.77 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.24 1jsa h SER 106 CO 0.00 1.31 0.60 0.25 -1.14 0.00 0.00 176.83 177.85 1jsa h LEU 107 N -0.97 0.93 -0.43 5.07 7.12 -1.01 0.32 115.31 126.34 1jsa h LEU 107 Ca -0.21 0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.81 1jsa h LEU 107 Cb 1.21 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.15 1jsa h LEU 107 CO -0.12 0.59 0.00 -1.22 -0.13 0.00 0.00 178.44 177.56 1jsa n TYR 108 N -4.50 0.15 -3.67 1.25 4.01 -0.99 -4.35 117.16 109.06 1jsa n TYR 108 Ca 0.14 -0.07 -0.28 0.00 -0.16 0.00 0.00 57.90 57.53 1jsa n TYR 108 Cb 0.21 -0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.11 1jsa n TYR 108 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1jsa s ASP 109 N -0.97 3.34 0.00 7.72 2.15 0.11 -4.65 116.67 124.37 1jsa s ASP 109 Ca 0.07 -3.13 0.00 0.00 0.43 0.00 0.00 52.55 49.92 1jsa s ASP 109 Cb 0.04 -1.03 0.00 0.00 -0.30 0.00 0.00 42.92 41.62 1jsa s ASP 109 CO 0.05 -0.18 0.70 0.52 -0.17 0.00 0.00 175.17 176.08 1jsa n VAL 110 N 2.86 0.00 -0.34 1.11 0.31 -1.26 0.14 118.33 121.15 1jsa n VAL 110 Ca 0.18 1.07 0.25 0.00 -0.01 0.00 0.00 64.34 65.83 1jsa n VAL 110 Cb 0.39 -1.45 0.53 0.00 -0.91 0.00 0.00 33.84 32.40 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 0.41 -3.21 4.52 2.03 -1.95 -3.46 116.42 114.75 1jsa h ASP 111 Ca 0.00 0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 1jsa h ASP 111 Cb 0.00 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 1jsa h ASP 111 CO 0.00 0.05 -0.02 0.61 -1.03 0.00 0.00 179.24 178.85 1jsa n GLY 112 N -1.49 -0.54 0.00 7.15 0.00 0.36 -5.08 105.19 105.59 1jsa n GLY 112 Ca 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.82 0.00 -0.54 1.61 6.94 -1.26 -5.05 115.26 116.13 1jsa n ASN 113 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.57 1jsa n ASN 113 Cb 0.30 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.72 1jsa n ASN 113 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jsa n GLY 114 N 1.10 0.54 3.17 4.83 0.00 -1.26 -4.95 105.19 108.62 1jsa n GLY 114 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.01 -0.51 -0.24 2.61 -4.23 -1.26 -3.44 115.64 108.54 1jsa s THR 115 Ca 0.02 0.20 -0.20 0.00 -1.18 0.00 0.00 61.69 60.53 1jsa s THR 115 Cb 0.02 -0.58 -0.02 0.00 1.34 0.00 0.00 72.50 73.26 1jsa s THR 115 CO -0.01 0.08 0.62 -0.63 -0.54 0.00 0.00 174.62 174.14 1jsa s ILE 116 N 2.43 5.00 0.54 2.99 1.01 0.16 -4.88 121.20 128.44 1jsa s ILE 116 Ca -0.01 1.11 0.08 0.00 0.00 0.00 0.00 60.65 61.84 1jsa s ILE 116 Cb -0.12 -3.92 0.06 0.00 0.01 0.00 0.00 42.46 38.49 1jsa s ILE 116 CO -0.11 0.05 0.66 -0.94 0.00 0.00 0.00 174.94 174.59 1jsa s SER 117 N 1.42 5.08 -0.03 3.58 1.04 -1.26 -2.55 113.70 120.99 1jsa s SER 117 Ca 0.26 -0.86 -0.19 0.00 0.48 0.00 0.00 55.95 55.64 1jsa s SER 117 Cb -0.16 0.13 -0.13 0.00 0.10 0.00 0.00 66.02 65.97 1jsa s SER 117 CO 0.09 -1.17 0.83 0.50 0.98 0.00 0.00 173.24 174.48 1jsa h LYS 118 N 0.42 -0.42 -0.78 4.02 3.64 -1.97 -2.80 116.57 118.68 1jsa h LYS 118 Ca -0.33 0.03 0.17 0.00 -1.27 0.00 0.00 60.65 59.25 1jsa h LYS 118 Cb 1.29 0.10 -0.14 0.00 -0.41 0.00 0.00 32.23 33.06 1jsa h LYS 118 CO 0.46 -0.13 -0.07 -0.97 -2.27 0.00 0.00 179.45 176.47 1jsa h ASN 119 N -1.00 -0.50 0.55 4.20 -1.24 -2.00 0.06 115.58 115.66 1jsa h ASN 119 Ca -0.04 0.22 -0.02 0.00 0.71 0.00 0.00 56.30 57.16 1jsa h ASN 119 Cb 0.49 0.41 -0.01 0.00 0.73 0.00 0.00 38.32 39.94 1jsa h ASN 119 CO 0.07 -0.22 -0.38 -0.33 -1.29 0.00 0.00 177.43 175.28 1jsa h GLU 120 N 0.05 -0.86 -0.80 6.67 5.08 -1.97 -1.09 114.58 121.65 1jsa h GLU 120 Ca 0.41 0.06 0.23 0.00 -1.00 0.00 0.00 59.36 59.06 1jsa h GLU 120 Cb 0.70 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 1jsa h GLU 120 CO -0.73 -0.58 0.62 0.28 -1.00 0.00 0.00 179.01 177.61 1jsa h VAL 121 N -0.90 0.50 -0.27 3.13 2.07 -0.93 0.52 116.25 120.37 1jsa h VAL 121 Ca -0.06 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1jsa h VAL 121 Cb 0.75 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1jsa h VAL 121 CO 0.04 0.00 0.12 0.25 0.02 0.00 0.00 177.57 178.00 1jsa h LEU 122 N 0.00 0.18 -0.30 2.57 6.46 0.30 -1.24 115.31 123.28 1jsa h LEU 122 Ca 0.38 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.15 1jsa h LEU 122 Cb 1.63 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.52 1jsa h LEU 122 CO -0.00 0.14 0.15 -0.33 -0.62 0.00 0.00 178.44 177.78 1jsa h GLU 123 N 0.27 0.43 -0.56 1.25 3.07 -0.77 -0.86 114.58 117.40 1jsa h GLU 123 Ca 0.11 -0.06 0.09 0.00 -0.50 0.00 0.00 59.36 59.00 1jsa h GLU 123 Cb 0.04 -0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 27.80 1jsa h GLU 123 CO -0.08 0.39 0.17 0.82 -1.40 0.00 0.00 179.01 178.91 1jsa h ILE 124 N 0.36 0.75 0.65 3.13 1.08 -1.25 0.11 117.51 122.33 1jsa h ILE 124 Ca 0.10 -0.11 -0.03 0.00 -0.39 0.00 0.00 64.86 64.43 1jsa h ILE 124 Cb 0.10 0.38 0.01 0.00 -3.07 0.00 0.00 36.82 34.24 1jsa h ILE 124 CO -0.01 0.06 -0.31 0.58 -0.69 0.00 0.00 178.15 177.78 1jsa h VAL 125 N 0.33 0.22 -0.73 1.67 2.07 -0.94 -0.89 116.25 117.98 1jsa h VAL 125 Ca 0.28 -0.28 0.15 0.00 0.82 0.00 0.00 66.70 67.67 1jsa h VAL 125 Cb 0.36 0.28 -0.14 0.00 -1.52 0.00 0.00 31.29 30.28 1jsa h VAL 125 CO -0.32 0.03 -0.18 0.74 0.02 0.00 0.00 177.57 177.86 1jsa h THR 126 N -1.09 0.27 0.43 2.57 2.02 -0.87 0.59 112.91 116.83 1jsa h THR 126 Ca -0.09 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1jsa h THR 126 Cb 0.71 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1jsa h THR 126 CO 0.15 0.00 -0.43 0.00 0.37 0.00 0.00 175.52 175.61 1jsa h ALA 127 N 1.73 -0.95 -0.28 6.16 0.00 -0.69 -1.98 119.26 123.25 1jsa h ALA 127 Ca 0.35 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1jsa h ALA 127 Cb 0.53 0.62 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1jsa h ALA 127 CO -0.75 -1.07 -0.17 0.82 0.00 0.00 0.00 179.25 178.08 1jsa h ILE 128 N -0.88 0.51 -1.28 0.00 2.04 0.43 0.36 117.51 118.68 1jsa h ILE 128 Ca -0.04 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.19 1jsa h ILE 128 Cb 0.77 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 1jsa h ILE 128 CO -0.06 0.00 0.93 0.15 0.00 0.00 0.00 178.15 179.16 1jsa h PHE 129 N -0.14 0.00 -0.00 1.37 3.57 0.45 2.10 116.94 124.28 1jsa h PHE 129 Ca 0.15 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.50 1jsa h PHE 129 Cb 0.37 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1jsa h PHE 129 CO -0.36 0.00 -0.69 -0.22 -2.23 0.00 0.00 178.31 174.81 1jsa h LYS 130 N 0.00 0.02 0.00 1.11 1.63 0.45 -3.14 116.57 116.63 1jsa h LYS 130 Ca 0.61 -0.02 -0.20 0.00 -0.85 0.00 0.00 60.65 60.19 1jsa h LYS 130 Cb 2.46 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 34.06 1jsa h LYS 130 CO -0.01 0.70 -1.07 1.98 -3.45 0.00 0.00 179.45 177.61 1jsa h MET 131 N 0.01 0.00 -6.27 1.90 4.05 0.38 -2.10 114.93 112.90 1jsa h MET 131 Ca -0.01 0.00 -0.61 0.00 -0.28 0.00 0.00 59.70 58.80 1jsa h MET 131 Cb 1.23 0.00 0.14 0.00 -0.80 0.00 0.00 31.60 32.16 1jsa h MET 131 CO 0.09 0.77 -0.42 -0.89 0.23 0.00 0.00 176.91 176.69 1jsa n ILE 132 N -3.24 1.70 -3.74 1.77 5.41 0.18 -4.44 119.36 117.00 1jsa n ILE 132 Ca -0.03 -0.50 -0.29 0.00 1.00 0.00 0.00 62.75 62.93 1jsa n ILE 132 Cb 0.92 -0.47 -0.04 0.00 -0.71 0.00 0.00 39.64 39.34 1jsa n ILE 132 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1jsa s SER 133 N -0.92 6.40 0.32 4.38 0.01 -1.26 -4.79 113.70 117.83 1jsa s SER 133 Ca 0.62 0.40 0.06 0.00 1.31 0.00 0.00 55.95 58.34 1jsa s SER 133 Cb -0.66 -2.01 0.71 0.00 0.21 0.00 0.00 66.02 64.27 1jsa s SER 133 CO 0.59 0.01 1.83 -0.65 0.41 0.00 0.00 173.24 175.43 1jsa h PRO 134 N 2.34 0.79 -0.12 12.44 0.11 -1.96 0.38 132.00 145.98 1jsa h PRO 134 Ca -0.47 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1jsa h PRO 134 Cb 1.18 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1jsa h PRO 134 CO 0.70 0.52 -0.03 1.49 -0.21 0.00 0.00 178.00 180.47 1jsa h GLU 135 N 0.82 0.17 0.00 1.05 4.22 -2.01 -2.41 114.58 116.42 1jsa h GLU 135 Ca 0.51 -0.02 -0.09 0.00 0.08 0.00 0.00 59.36 59.83 1jsa h GLU 135 Cb 0.71 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1jsa h GLU 135 CO -0.28 0.23 -1.71 -0.25 -2.18 0.00 0.00 179.01 174.83 1jsa n ASP 136 N -4.39 0.38 0.01 1.04 8.00 0.21 -4.06 116.55 117.75 1jsa n ASP 136 Ca -0.01 0.16 0.13 0.00 0.71 0.00 0.00 54.79 55.78 1jsa n ASP 136 Cb 0.18 1.09 0.56 0.00 -0.02 0.00 0.00 41.12 42.92 1jsa n ASP 136 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1jsa n THR 137 N -2.57 0.21 0.60 -3.53 -1.04 0.11 -2.96 114.28 105.09 1jsa n THR 137 Ca -0.09 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.05 1jsa n THR 137 Cb 0.72 -0.58 0.24 0.00 -1.82 0.00 0.00 70.33 68.89 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 -1.60 0.28 -0.17 -2.82 4.81 -0.94 -3.62 118.16 114.10 1jsa n LYS 138 Ca 0.06 0.12 0.11 0.00 -0.87 0.00 0.00 58.31 57.74 1jsa n LYS 138 Cb 0.33 -1.72 0.26 0.00 0.02 0.00 0.00 35.03 33.92 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 -2.14 0.46 -1.56 5.64 8.25 -1.16 -4.35 115.22 120.37 1jsa n HIS 139 Ca 0.04 -0.23 -0.13 0.00 -0.26 0.00 0.00 57.72 57.14 1jsa n HIS 139 Cb 0.43 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.69 1jsa n HIS 139 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1jsa n LEU 140 N 1.17 4.86 -1.01 2.41 -0.00 -1.24 -4.81 117.00 118.38 1jsa n LEU 140 Ca 0.19 -4.07 0.00 0.00 -0.00 0.00 0.00 56.01 52.13 1jsa n LEU 140 Cb 0.52 -0.63 0.00 0.00 -0.00 0.00 0.00 43.42 43.32 1jsa n LEU 140 CO 0.15 1.48 0.17 -0.81 -0.00 0.00 0.00 177.39 178.37 1jsa n PRO 141 N -1.01 0.33 -1.77 1.47 -0.04 -1.26 -4.34 135.00 128.38 1jsa n PRO 141 Ca 0.40 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.57 1jsa n PRO 141 Cb 0.99 -1.34 0.08 0.00 -0.04 0.00 0.00 33.50 33.20 1jsa n PRO 141 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1jsa s GLU 142 N 0.68 2.21 0.00 0.54 8.01 -1.26 -4.85 118.70 124.04 1jsa s GLU 142 Ca 0.00 0.38 0.00 0.00 0.01 0.00 0.00 54.97 55.36 1jsa s GLU 142 Cb 0.00 -1.95 0.00 0.00 -4.31 0.00 0.00 34.13 27.87 1jsa s GLU 142 CO 0.00 -1.47 0.16 -3.47 0.01 0.00 0.00 175.26 170.48 1jsa n ASP 143 N -3.29 0.01 -3.13 -0.19 2.03 -1.26 -2.47 116.55 108.24 1jsa n ASP 143 Ca 0.07 -0.32 -0.17 0.00 0.52 0.00 0.00 54.79 54.89 1jsa n ASP 143 Cb 0.58 -0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.96 1jsa n ASP 143 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1jsa n GLU 144 N -0.47 1.04 -0.63 -0.67 2.13 -1.26 -4.89 120.64 115.89 1jsa n GLU 144 Ca 0.00 -3.40 0.09 0.00 0.66 0.00 0.00 57.16 54.51 1jsa n GLU 144 Cb 0.00 -1.68 0.36 0.00 0.27 0.00 0.00 31.44 30.39 1jsa n GLU 144 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1jsa n ASN 145 N 0.23 4.81 -4.45 4.31 6.94 -1.03 -4.46 115.26 121.61 1jsa n ASN 145 Ca 0.24 -2.49 -0.28 0.00 -0.02 0.00 0.00 54.58 52.02 1jsa n ASN 145 Cb 0.67 -0.58 -0.12 0.00 -2.36 0.00 0.00 39.78 37.39 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 -1.93 2.53 0.10 5.53 -4.23 -1.26 -4.99 115.64 111.40 1jsa s THR 146 Ca 0.51 -1.81 -0.30 0.00 -1.18 0.00 0.00 61.69 58.91 1jsa s THR 146 Cb 0.33 -2.19 -0.11 0.00 1.34 0.00 0.00 72.50 71.88 1jsa s THR 146 CO 0.24 -0.02 1.61 -0.65 -0.54 0.00 0.00 174.62 175.26 1jsa h PRO 147 N 3.44 -0.64 0.00 3.99 0.10 -1.93 0.97 132.00 137.93 1jsa h PRO 147 Ca -0.48 0.04 0.00 0.00 0.10 0.00 0.00 66.00 65.66 1jsa h PRO 147 Cb 1.19 0.14 0.00 0.00 0.10 0.00 0.00 31.00 32.43 1jsa h PRO 147 CO 0.46 -0.42 0.00 1.49 0.10 0.00 0.00 178.00 179.63 1jsa h GLU 148 N -0.66 0.00 0.11 1.05 4.81 -1.96 0.40 114.58 118.33 1jsa h GLU 148 Ca 0.00 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 1jsa h GLU 148 Cb 0.64 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1jsa h GLU 148 CO -0.13 0.00 -1.92 1.17 -0.73 0.00 0.00 179.01 177.39 1jsa n LYS 149 N -2.79 0.74 -0.02 1.92 4.81 0.18 -4.27 118.16 118.73 1jsa n LYS 149 Ca -0.02 0.30 -0.12 0.00 -0.87 0.00 0.00 58.31 57.59 1jsa n LYS 149 Cb 0.06 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.41 1jsa n LYS 149 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jsa h ARG 150 N -0.05 0.68 -0.44 1.64 3.08 0.15 -2.81 114.38 116.63 1jsa h ARG 150 Ca -0.42 -0.46 0.13 0.00 0.07 0.00 0.00 59.98 59.30 1jsa h ARG 150 Cb 1.95 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 32.05 1jsa h ARG 150 CO 0.05 1.08 0.76 0.00 -1.07 0.00 0.00 179.97 180.79 1jsa h ALA 151 N 0.81 2.19 0.02 0.04 0.00 -1.12 2.24 119.26 123.44 1jsa h ALA 151 Ca -0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 1jsa h ALA 151 Cb 1.19 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1jsa h ALA 151 CO 0.12 -0.98 -1.12 0.93 0.00 0.00 0.00 179.25 178.20 1jsa h GLU 152 N 0.00 0.04 -0.25 0.00 5.08 -1.69 -2.40 114.58 115.36 1jsa h GLU 152 Ca 0.21 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1jsa h GLU 152 Cb 1.72 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.98 1jsa h GLU 152 CO -0.00 0.97 0.09 -0.22 -1.00 0.00 0.00 179.01 178.85 1jsa h LYS 153 N 0.01 0.38 0.43 2.33 3.11 0.37 1.03 116.57 124.22 1jsa h LYS 153 Ca -0.06 -0.07 -0.02 0.00 -2.81 0.00 0.00 60.65 57.68 1jsa h LYS 153 Cb 1.83 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 33.00 1jsa h LYS 153 CO 0.13 0.43 -0.21 0.82 -2.81 0.00 0.00 179.45 177.82 1jsa h ILE 154 N 0.24 0.00 -0.92 2.00 2.04 -1.56 0.06 117.51 119.37 1jsa h ILE 154 Ca 0.08 -0.50 0.11 0.00 1.00 0.00 0.00 64.86 65.55 1jsa h ILE 154 Cb 0.20 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.21 1jsa h ILE 154 CO -0.00 0.00 0.59 -0.25 0.00 0.00 0.00 178.15 178.49 1jsa h TRP 155 N -1.08 0.98 0.00 1.37 2.91 -1.49 0.17 115.95 118.81 1jsa h TRP 155 Ca -0.06 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 59.90 1jsa h TRP 155 Cb 0.44 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 28.77 1jsa h TRP 155 CO 0.01 0.42 -0.42 0.78 -1.03 0.00 0.00 178.44 178.20 1jsa h GLY 156 N 0.88 0.00 0.18 2.65 0.00 0.11 -2.83 103.07 104.07 1jsa h GLY 156 Ca 0.44 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.79 1jsa h GLY 156 CO -0.21 0.00 -0.48 -2.75 0.00 0.00 0.00 176.54 173.10 1jsa h PHE 157 N 0.00 -1.37 0.25 5.60 3.04 0.14 -2.81 116.94 121.78 1jsa h PHE 157 Ca -0.00 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 1jsa h PHE 157 Cb 0.79 0.59 0.00 0.00 2.56 0.00 0.00 35.95 39.89 1jsa h PHE 157 CO 0.00 -0.56 -0.12 0.74 -2.02 0.00 0.00 178.31 176.35 1jsa h PHE 158 N -0.71 -0.31 0.00 0.41 -1.00 -1.54 -3.49 116.94 110.30 1jsa h PHE 158 Ca 0.01 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1jsa h PHE 158 Cb 0.73 0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.39 1jsa h PHE 158 CO -0.42 -0.09 0.00 0.41 -1.61 0.00 0.00 178.31 176.60 1jsa n GLY 159 N -0.84 0.72 5.20 -1.45 0.00 -1.06 -5.14 105.19 102.62 1jsa n GLY 159 Ca -0.09 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.48 -2.68 1.61 4.76 -1.26 -4.60 118.16 115.51 1jsa n LYS 160 Ca 0.00 0.32 -0.05 0.00 -2.87 0.00 0.00 58.31 55.71 1jsa n LYS 160 Cb 0.00 -0.59 0.07 0.00 -1.84 0.00 0.00 35.03 32.68 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 -1.56 0.44 -0.12 1.97 3.00 -1.26 -4.92 118.16 115.71 1jsa n LYS 161 Ca 0.00 -1.06 0.00 0.00 -0.00 0.00 0.00 58.31 57.25 1jsa n LYS 161 Cb 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 35.03 34.89 1jsa n LYS 161 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1jsa n ASP 162 N 0.04 0.00 -3.09 3.14 2.03 -1.26 -4.64 116.55 112.77 1jsa n ASP 162 Ca -0.10 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.03 1jsa n ASP 162 Cb 0.73 -1.61 -0.03 0.00 -0.72 0.00 0.00 41.12 39.49 1jsa n ASP 162 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1jsa n ASP 163 N 0.00 -0.19 -3.15 1.67 -0.08 -1.26 -5.04 116.55 108.49 1jsa n ASP 163 Ca 0.00 -2.98 0.05 0.00 -1.51 0.00 0.00 54.79 50.35 1jsa n ASP 163 Cb 0.00 -0.09 -0.01 0.00 2.34 0.00 0.00 41.12 43.36 1jsa n ASP 163 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1jsa s ASP 164 N -1.71 -0.59 0.06 1.67 2.15 -1.26 -5.07 116.67 111.91 1jsa s ASP 164 Ca 0.35 0.22 -0.21 0.00 0.43 0.00 0.00 52.55 53.34 1jsa s ASP 164 Cb 0.26 1.43 -0.06 0.00 -0.30 0.00 0.00 42.92 44.25 1jsa s ASP 164 CO -0.11 -0.11 0.61 -1.59 -0.17 0.00 0.00 175.17 173.80 1jsa s LYS 165 N 2.94 4.30 0.04 4.34 0.00 -1.26 -4.70 119.74 125.39 1jsa s LYS 165 Ca 0.12 0.80 -0.24 0.00 0.00 0.00 0.00 55.97 56.66 1jsa s LYS 165 Cb -0.07 -3.28 -0.06 0.00 0.00 0.00 0.00 37.83 34.42 1jsa s LYS 165 CO -0.17 0.52 0.71 -1.17 0.00 0.00 0.00 175.35 175.24 1jsa s LEU 166 N -0.74 4.45 0.45 2.77 2.96 -1.06 -4.86 118.68 122.64 1jsa s LEU 166 Ca 0.31 1.37 -0.03 0.00 -0.22 0.00 0.00 54.13 55.56 1jsa s LEU 166 Cb -0.20 -3.14 -0.03 0.00 0.50 0.00 0.00 46.19 43.33 1jsa s LEU 166 CO 0.19 0.06 0.71 0.42 -1.32 0.00 0.00 176.35 176.41 1jsa s THR 167 N -0.17 4.79 0.29 3.68 -4.23 -1.26 -0.67 115.64 118.07 1jsa s THR 167 Ca 0.36 -0.08 0.04 0.00 -1.18 0.00 0.00 61.69 60.83 1jsa s THR 167 Cb -0.20 -3.80 0.06 0.00 1.34 0.00 0.00 72.50 69.91 1jsa s THR 167 CO 0.21 -0.68 1.73 1.05 -0.54 0.00 0.00 174.62 176.38 1jsa h GLU 168 N 0.37 0.38 0.20 3.99 9.09 -1.96 -0.20 114.58 126.44 1jsa h GLU 168 Ca -0.48 -0.15 0.01 0.00 0.05 0.00 0.00 59.36 58.80 1jsa h GLU 168 Cb 1.22 -0.02 -0.03 0.00 -1.65 0.00 0.00 28.75 28.27 1jsa h GLU 168 CO 0.61 0.65 -0.32 -0.22 0.05 0.00 0.00 179.01 179.77 1jsa h LYS 169 N 0.33 -0.58 -0.01 1.06 3.64 -1.94 -2.59 116.57 116.49 1jsa h LYS 169 Ca 0.04 0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.30 1jsa h LYS 169 Cb 0.71 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 1jsa h LYS 169 CO 0.05 -0.38 -0.75 0.93 -2.27 0.00 0.00 179.45 177.03 1jsa h GLU 170 N -0.60 0.07 -0.37 1.90 4.39 -1.96 -3.07 114.58 114.94 1jsa h GLU 170 Ca 0.01 -0.06 0.11 0.00 0.34 0.00 0.00 59.36 59.75 1jsa h GLU 170 Cb 0.59 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1jsa h GLU 170 CO -0.14 0.78 0.79 0.35 -1.16 0.00 0.00 179.01 179.63 1jsa h PHE 171 N 0.04 0.00 0.08 4.33 3.57 -0.62 1.35 116.94 125.69 1jsa h PHE 171 Ca -0.01 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.14 1jsa h PHE 171 Cb 1.32 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.02 1jsa h PHE 171 CO 0.01 0.00 -1.96 -0.89 -2.23 0.00 0.00 178.31 173.24 1jsa n ILE 172 N -3.04 1.70 -0.08 1.41 5.41 -1.16 -4.18 119.36 119.42 1jsa n ILE 172 Ca 0.07 -0.70 -0.17 0.00 1.00 0.00 0.00 62.75 62.96 1jsa n ILE 172 Cb 0.92 -1.47 -0.12 0.00 -0.71 0.00 0.00 39.64 38.26 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 0.04 0.00 0.00 0.38 5.08 0.12 -2.45 114.58 117.75 1jsa h GLU 173 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1jsa h GLU 173 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1jsa h GLU 173 CO 0.07 0.98 0.68 0.78 -1.00 0.00 0.00 179.01 180.52 1jsa h GLY 174 N -1.00 0.00 0.14 -3.84 0.00 0.82 1.70 103.07 100.89 1jsa h GLY 174 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.83 1jsa h GLY 174 CO -0.08 0.00 -2.33 2.41 0.00 0.00 0.00 176.54 176.54 1jsa n THR 175 N -2.43 1.48 -0.15 4.70 -1.04 -1.23 -4.29 114.28 111.32 1jsa n THR 175 Ca -0.01 -0.73 0.13 0.00 -2.04 0.00 0.00 64.05 61.41 1jsa n THR 175 Cb 0.69 -0.99 0.48 0.00 -1.82 0.00 0.00 70.33 68.70 1jsa n THR 175 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1jsa h LEU 176 N 0.01 0.43 0.00 -4.42 5.85 0.30 -3.33 115.31 114.15 1jsa h LEU 176 Ca -0.53 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1jsa h LEU 176 Cb 2.08 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 43.04 1jsa h LEU 176 CO -0.01 0.24 0.00 0.00 -0.34 0.00 0.00 178.44 178.33 1jsa n ALA 177 N -2.51 0.00 -1.56 1.25 0.00 -0.88 -4.73 120.51 112.08 1jsa n ALA 177 Ca 0.13 0.00 -0.58 0.00 0.00 0.00 0.00 53.44 52.99 1jsa n ALA 177 Cb 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 1jsa n ALA 177 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jsa n ASN 178 N 0.00 0.67 -0.02 0.00 3.02 -1.25 -4.82 115.26 112.86 1jsa n ASN 178 Ca 0.00 1.15 0.12 0.00 -0.03 0.00 0.00 54.58 55.82 1jsa n ASN 178 Cb 0.00 -1.01 0.25 0.00 -0.61 0.00 0.00 39.78 38.41 1jsa n ASN 178 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1jsa n LYS 179 N 2.16 0.06 0.13 3.52 2.85 -1.26 -3.78 118.16 121.84 1jsa n LYS 179 Ca 0.21 -0.04 0.12 0.00 -1.05 0.00 0.00 58.31 57.55 1jsa n LYS 179 Cb 0.10 -1.50 0.20 0.00 -0.65 0.00 0.00 35.03 33.18 1jsa n LYS 179 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1jsa h GLU 180 N 0.09 0.00 0.30 -1.58 5.08 -1.93 -3.36 114.58 113.18 1jsa h GLU 180 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1jsa h GLU 180 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1jsa h GLU 180 CO 0.00 0.00 -0.15 0.82 -1.00 0.00 0.00 179.01 178.68 1jsa h ILE 181 N 0.00 0.45 0.00 3.13 2.04 -1.90 -3.08 117.51 118.15 1jsa h ILE 181 Ca 0.00 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.05 1jsa h ILE 181 Cb 0.87 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1jsa h ILE 181 CO 0.00 0.11 0.88 0.17 0.00 0.00 0.00 178.15 179.31 1jsa h LEU 182 N -0.98 0.00 0.05 1.44 8.10 -1.77 -0.71 115.31 121.44 1jsa h LEU 182 Ca -0.04 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.95 1jsa h LEU 182 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.71 1jsa h LEU 182 CO 0.07 0.00 -0.02 -0.09 -4.11 0.00 0.00 178.44 174.29 1jsa h ARG 183 N 0.00 -0.06 0.05 0.17 1.12 -1.73 -3.30 114.38 110.63 1jsa h ARG 183 Ca 0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1jsa h ARG 183 Cb 1.76 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.74 1jsa h ARG 183 CO 0.00 -0.04 -0.02 1.25 -3.11 0.00 0.00 179.97 178.05 1jsa h LEU 184 N -0.20 -0.05 -1.17 3.80 5.85 -1.33 -3.13 115.31 119.07 1jsa h LEU 184 Ca -0.01 -0.39 0.44 0.00 0.84 0.00 0.00 57.88 58.77 1jsa h LEU 184 Cb 0.05 0.01 -0.16 0.00 0.37 0.00 0.00 40.66 40.93 1jsa h LEU 184 CO 0.01 0.37 0.70 0.00 -0.34 0.00 0.00 178.44 179.18 1jsa n ILE 185 N -4.92 -0.34 -1.60 4.05 0.00 -0.39 -4.32 119.36 111.85 1jsa n ILE 185 Ca -0.08 1.91 -0.49 0.00 0.00 0.00 0.00 62.75 64.09 1jsa n ILE 185 Cb 0.23 -3.11 -0.05 0.00 0.00 0.00 0.00 39.64 36.71 1jsa n ILE 185 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1jsa n GLN 186 N -4.98 1.78 -1.35 9.51 -0.06 -1.19 -4.91 117.38 116.18 1jsa n GLN 186 Ca 0.39 0.59 -0.32 0.00 -2.00 0.00 0.00 57.00 55.66 1jsa n GLN 186 Cb 1.41 -2.67 0.09 0.00 -4.06 0.00 0.00 30.24 25.01 1jsa n GLN 186 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1jsa s PHE 187 N 5.72 2.38 0.00 3.69 -0.12 -1.26 -5.05 117.98 123.35 1jsa s PHE 187 Ca 0.99 1.60 0.00 0.00 -0.05 0.00 0.00 56.93 59.47 1jsa s PHE 187 Cb -0.70 -3.18 0.00 0.00 -0.63 0.00 0.00 43.02 38.51 1jsa s PHE 187 CO 0.49 -2.02 0.00 -1.91 -0.05 0.00 0.00 175.22 171.73