#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 6.32 0.00 1.61 -0.87 -1.26 -4.93 114.94 115.81 1jsa s ASN 2 Ca 0.00 1.03 0.00 0.00 -1.57 0.00 0.00 52.86 52.32 1jsa s ASN 2 Cb 0.00 -2.29 0.00 0.00 -0.02 0.00 0.00 41.25 38.94 1jsa s ASN 2 CO 0.00 -0.58 0.00 -1.54 -2.57 0.00 0.00 177.10 172.41 1jsa n SER 3 N -2.11 0.00 -0.21 -1.22 3.41 -1.26 -5.14 113.62 107.10 1jsa n SER 3 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1jsa n SER 3 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1jsa n SER 3 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1jsa n LYS 4 N 0.00 3.74 0.00 4.33 2.85 -1.26 -5.08 118.16 122.73 1jsa n LYS 4 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1jsa n LYS 4 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1jsa n LYS 4 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1jsa n SER 5 N 0.00 0.00 0.00 -5.58 7.64 -1.26 -5.08 113.62 109.34 1jsa n SER 5 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1jsa n SER 5 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 3.32 3.80 1.93 0.23 0.00 -1.26 -4.92 105.19 108.29 1jsa n GLY 6 Ca 0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.46 2.63 -0.57 4.61 0.00 -1.26 -4.69 120.51 119.77 1jsa n ALA 7 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1jsa n ALA 7 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 2.05 0.00 0.00 0.00 -0.00 -1.26 -4.26 117.00 113.53 1jsa n LEU 8 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 1jsa n LEU 8 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 1jsa n LEU 8 CO 0.05 0.00 0.00 -1.54 -0.00 0.00 0.00 177.39 175.90 1jsa n SER 9 N 0.00 0.00 -0.27 1.45 3.41 -1.26 -1.96 113.62 114.99 1jsa n SER 9 Ca 0.00 0.00 0.29 0.00 -0.26 0.00 0.00 58.87 58.90 1jsa n SER 9 Cb 0.00 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.40 1jsa n SER 9 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jsa n LYS 10 N 0.00 0.01 -0.08 4.33 4.76 -1.26 0.18 118.16 126.10 1jsa n LYS 10 Ca 0.00 0.95 -0.12 0.00 -2.87 0.00 0.00 58.31 56.27 1jsa n LYS 10 Cb 0.00 -2.34 -0.08 0.00 -1.84 0.00 0.00 35.03 30.77 1jsa n LYS 10 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1jsa h GLU 11 N 0.00 0.00 -0.04 1.97 4.57 -1.70 -3.29 114.58 116.09 1jsa h GLU 11 Ca 0.52 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.64 1jsa h GLU 11 Cb 2.83 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.43 1jsa h GLU 11 CO -0.01 0.64 -0.19 0.82 -1.18 0.00 0.00 179.01 179.09 1jsa h ILE 12 N -1.00 1.48 -1.14 2.32 2.04 -0.33 -3.01 117.51 117.87 1jsa h ILE 12 Ca -0.10 -1.68 0.33 0.00 1.00 0.00 0.00 64.86 64.41 1jsa h ILE 12 Cb 0.81 2.47 -0.05 0.00 -0.74 0.00 0.00 36.82 39.31 1jsa h ILE 12 CO -0.06 0.46 0.82 -0.07 0.00 0.00 0.00 178.15 179.30 1jsa h LEU 13 N -0.38 0.01 -1.08 1.44 3.38 0.17 2.07 115.31 120.92 1jsa h LEU 13 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jsa h LEU 13 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1jsa h LEU 13 CO 0.04 0.00 0.35 -0.08 0.09 0.00 0.00 178.44 178.84 1jsa h GLU 14 N 0.01 0.00 -0.00 1.13 4.81 -1.59 2.72 114.58 121.65 1jsa h GLU 14 Ca 0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 1jsa h GLU 14 Cb 2.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.54 1jsa h GLU 14 CO -0.01 0.00 -0.45 0.39 -0.73 0.00 0.00 179.01 178.21 1jsa n GLU 15 N -2.26 0.21 -0.34 1.92 -0.58 0.70 -4.38 120.64 115.90 1jsa n GLU 15 Ca -0.01 -0.12 -0.06 0.00 -0.42 0.00 0.00 57.16 56.55 1jsa n GLU 15 Cb 0.38 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.71 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 -1.29 -0.76 -0.10 -4.62 -0.00 0.91 -0.67 117.00 110.47 1jsa n LEU 16 Ca 0.07 1.50 -0.18 0.00 -0.00 0.00 0.00 56.01 57.40 1jsa n LEU 16 Cb 0.34 -0.25 -0.08 0.00 -0.00 0.00 0.00 43.42 43.42 1jsa n LEU 16 CO 0.33 -1.27 -0.59 0.00 -0.00 0.00 0.00 177.39 175.85 1jsa n GLN 17 N -5.14 0.54 0.01 1.47 6.02 -1.26 -3.21 117.38 115.81 1jsa n GLN 17 Ca 0.05 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.55 1jsa n GLN 17 Cb 0.27 -1.69 0.02 0.00 1.02 0.00 0.00 30.24 29.86 1jsa n GLN 17 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1jsa n LEU 18 N -4.46 0.02 0.00 1.08 4.32 -1.17 -4.37 117.00 112.41 1jsa n LEU 18 Ca -0.28 0.20 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 1jsa n LEU 18 Cb 0.60 -0.19 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 1jsa n LEU 18 CO 0.15 -0.21 0.00 0.59 -1.22 0.00 0.00 177.39 176.70 1jsa n ASN 19 N -1.24 0.00 -3.62 -1.43 4.13 0.16 -5.05 115.26 108.21 1jsa n ASN 19 Ca -0.00 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.23 1jsa n ASN 19 Cb 0.34 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.56 1jsa n ASN 19 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1jsa s THR 20 N 0.62 0.00 -0.14 3.41 -1.32 -1.04 -4.95 115.64 112.22 1jsa s THR 20 Ca 0.00 -0.01 -0.18 0.00 -1.21 0.00 0.00 61.69 60.29 1jsa s THR 20 Cb 0.00 -1.04 0.05 0.00 -1.51 0.00 0.00 72.50 69.99 1jsa s THR 20 CO 0.00 0.00 0.47 -1.59 -2.21 0.00 0.00 174.62 171.29 1jsa s LYS 21 N -2.26 0.63 0.41 7.08 0.00 -1.26 -4.64 119.74 119.71 1jsa s LYS 21 Ca 0.11 0.48 0.09 0.00 0.00 0.00 0.00 55.97 56.65 1jsa s LYS 21 Cb -0.01 0.30 0.90 0.00 0.00 0.00 0.00 37.83 39.02 1jsa s LYS 21 CO -0.04 -0.11 2.02 0.35 0.00 0.00 0.00 175.35 177.57 1jsa h PHE 22 N 4.88 0.53 0.00 1.78 3.04 -1.97 -3.44 116.94 121.76 1jsa h PHE 22 Ca -0.28 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.69 1jsa h PHE 22 Cb 1.17 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.51 1jsa h PHE 22 CO 0.42 0.30 0.00 -2.37 -2.02 0.00 0.00 178.31 174.63 1jsa n THR 23 N -4.47 0.00 0.05 4.41 5.66 -1.26 -4.97 114.28 113.70 1jsa n THR 23 Ca 0.06 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.22 1jsa n THR 23 Cb 0.19 0.00 0.26 0.00 -1.55 0.00 0.00 70.33 69.22 1jsa n THR 23 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1jsa h GLU 24 N 0.00 0.00 0.00 1.09 4.11 -2.00 2.42 114.58 120.19 1jsa h GLU 24 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1jsa h GLU 24 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1jsa h GLU 24 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 179.01 180.01 1jsa h GLU 25 N 0.00 0.00 0.02 1.06 5.08 -1.99 -3.17 114.58 115.57 1jsa h GLU 25 Ca 0.26 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.36 1jsa h GLU 25 Cb 2.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.64 1jsa h GLU 25 CO -0.00 0.00 -1.36 1.49 -1.00 0.00 0.00 179.01 178.13 1jsa h GLU 26 N 0.00 0.04 -0.41 2.33 4.81 0.38 -3.38 114.58 118.34 1jsa h GLU 26 Ca 0.00 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1jsa h GLU 26 Cb 0.39 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.72 1jsa h GLU 26 CO 0.00 1.03 -0.16 -0.11 -0.73 0.00 0.00 179.01 179.04 1jsa n LEU 27 N -4.31 -0.26 0.21 1.64 -0.00 -1.20 0.22 117.00 113.29 1jsa n LEU 27 Ca -0.32 0.71 -0.08 0.00 -0.00 0.00 0.00 56.01 56.31 1jsa n LEU 27 Cb 0.73 -0.16 -0.04 0.00 -0.00 0.00 0.00 43.42 43.95 1jsa n LEU 27 CO 0.22 -0.64 0.34 0.77 -0.00 0.00 0.00 177.39 178.08 1jsa h SER 28 N 0.00 -0.47 0.28 1.96 4.64 -1.78 -3.15 113.55 115.04 1jsa h SER 28 Ca 0.14 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1jsa h SER 28 Cb 0.25 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1jsa h SER 28 CO -0.41 -0.23 0.00 -1.54 -0.87 0.00 0.00 176.83 173.79 1jsa n SER 29 N -4.07 0.55 0.07 4.97 3.41 0.02 -2.79 113.62 115.78 1jsa n SER 29 Ca -0.07 0.71 -0.13 0.00 -0.26 0.00 0.00 58.87 59.12 1jsa n SER 29 Cb 0.22 -0.80 -0.08 0.00 -0.26 0.00 0.00 64.21 63.29 1jsa n SER 29 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1jsa h TRP 30 N 0.00 -0.11 -1.17 7.33 2.91 0.27 -1.99 115.95 123.19 1jsa h TRP 30 Ca 0.00 -0.00 0.37 0.00 1.13 0.00 0.00 58.89 60.39 1jsa h TRP 30 Cb 0.14 0.04 -0.13 0.00 -0.51 0.00 0.00 29.16 28.70 1jsa h TRP 30 CO 0.00 0.07 0.74 -0.92 -1.03 0.00 0.00 178.44 177.30 1jsa h TYR 31 N -0.27 0.65 0.03 2.65 3.20 -1.58 0.18 116.97 121.82 1jsa h TYR 31 Ca -0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1jsa h TYR 31 Cb 0.23 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.33 1jsa h TYR 31 CO -0.02 -0.14 -0.01 0.37 -1.64 0.00 0.00 178.16 176.71 1jsa h GLN 32 N 0.21 -0.04 -1.30 1.82 5.75 -1.63 -2.95 115.11 116.97 1jsa h GLN 32 Ca 0.75 0.00 0.38 0.00 -0.15 0.00 0.00 58.65 59.63 1jsa h GLN 32 Cb 2.11 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 30.62 1jsa h GLN 32 CO -0.44 0.66 0.98 0.77 -2.65 0.00 0.00 178.83 178.15 1jsa h SER 33 N -0.85 0.00 -0.02 -0.69 0.02 -0.26 1.05 113.55 112.79 1jsa h SER 33 Ca -0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 1jsa h SER 33 Cb 0.72 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.27 1jsa h SER 33 CO 0.01 0.00 -0.83 0.15 -1.14 0.00 0.00 176.83 175.01 1jsa h PHE 34 N 0.00 0.89 0.00 3.45 3.57 -1.28 -2.56 116.94 121.00 1jsa h PHE 34 Ca 0.62 -0.46 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1jsa h PHE 34 Cb 2.58 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 41.21 1jsa h PHE 34 CO 0.00 1.29 -0.00 -0.07 -2.23 0.00 0.00 178.31 177.30 1jsa h LEU 35 N 0.23 0.00 0.22 0.59 3.38 0.13 -0.03 115.31 119.83 1jsa h LEU 35 Ca -0.10 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.53 1jsa h LEU 35 Cb 1.50 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.28 1jsa h LEU 35 CO 0.17 0.00 -1.61 0.11 0.09 0.00 0.00 178.44 177.20 1jsa h LYS 36 N 0.00 0.47 0.00 1.13 1.79 -1.10 -2.91 116.57 115.95 1jsa h LYS 36 Ca -0.00 -0.80 0.00 0.00 -2.18 0.00 0.00 60.65 57.67 1jsa h LYS 36 Cb 0.03 0.30 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1jsa h LYS 36 CO 0.00 1.38 0.00 0.39 -1.08 0.00 0.00 179.45 180.14 1jsa n GLU 37 N -3.65 0.55 -3.07 3.15 1.02 -0.48 -4.59 120.64 113.57 1jsa n GLU 37 Ca -0.20 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 56.98 1jsa n GLU 37 Cb 1.09 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 1jsa n GLU 37 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jsa n PRO 39 N 4.80 0.13 0.00 0.00 -0.02 -1.10 -4.30 135.00 134.51 1jsa n PRO 39 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1jsa n PRO 39 Cb 0.59 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 33.00 1jsa n PRO 39 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1jsa n SER 40 N 0.41 0.00 0.18 2.55 7.64 -1.26 -5.09 113.62 118.05 1jsa n SER 40 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1jsa n SER 40 Cb 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1jsa n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jsa n GLY 41 N 5.00 -1.66 3.92 0.23 0.00 -1.26 -5.00 105.19 106.41 1jsa n GLY 41 Ca 0.00 0.39 -0.26 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 3.54 -0.22 1.61 3.00 -1.26 -4.72 118.95 118.89 1jsa s ARG 42 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 55.73 55.74 1jsa s ARG 42 Cb 0.00 -2.49 0.06 0.00 0.00 0.00 0.00 34.95 32.53 1jsa s ARG 42 CO 0.00 -0.06 -0.01 0.42 0.00 0.00 0.00 175.30 175.65 1jsa s ILE 43 N -2.55 1.12 0.62 1.52 1.01 -1.00 -4.93 121.20 116.99 1jsa s ILE 43 Ca 0.45 -0.98 -0.12 0.00 0.00 0.00 0.00 60.65 60.00 1jsa s ILE 43 Cb -0.10 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 1jsa s ILE 43 CO 0.41 -0.17 1.03 -0.89 0.00 0.00 0.00 174.94 175.32 1jsa s THR 44 N 1.58 4.45 -0.48 2.92 2.01 -1.26 -1.35 115.64 123.51 1jsa s THR 44 Ca -0.03 0.88 0.12 0.00 0.31 0.00 0.00 61.69 62.97 1jsa s THR 44 Cb -0.18 -3.70 0.12 0.00 0.01 0.00 0.00 72.50 68.76 1jsa s THR 44 CO -0.07 -0.96 1.37 -2.11 -0.69 0.00 0.00 174.62 172.15 1jsa n ARG 45 N -2.60 0.08 -0.03 4.92 -4.01 -1.26 -1.79 116.66 111.97 1jsa n ARG 45 Ca 0.07 0.57 -0.14 0.00 -1.04 0.00 0.00 57.85 57.30 1jsa n ARG 45 Cb 0.54 -1.80 -0.11 0.00 -3.04 0.00 0.00 32.46 28.05 1jsa n ARG 45 CO 0.00 0.00 0.00 0.37 -3.04 0.00 0.00 177.63 174.96 1jsa h GLN 46 N 0.00 0.15 0.00 2.89 -0.00 -1.97 -3.14 115.11 113.04 1jsa h GLN 46 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 58.65 58.51 1jsa h GLN 46 Cb 0.06 0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.58 1jsa h GLN 46 CO 0.00 0.84 0.00 1.49 0.00 0.00 0.00 178.83 181.16 1jsa h GLU 47 N -0.48 0.00 -0.63 1.69 4.81 -1.72 -3.15 114.58 115.10 1jsa h GLU 47 Ca -0.02 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.32 1jsa h GLU 47 Cb 0.89 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.15 1jsa h GLU 47 CO 0.04 0.00 -0.37 0.35 -0.73 0.00 0.00 179.01 178.29 1jsa h PHE 48 N 0.00 -1.05 -0.61 0.92 3.04 -1.48 0.77 116.94 118.53 1jsa h PHE 48 Ca 0.00 0.08 0.18 0.00 3.98 0.00 0.00 57.97 62.20 1jsa h PHE 48 Cb 0.33 0.55 -0.02 0.00 2.56 0.00 0.00 35.95 39.37 1jsa h PHE 48 CO 0.00 -0.40 0.44 1.96 -2.02 0.00 0.00 178.31 178.29 1jsa h GLN 49 N -0.17 0.00 0.00 1.11 4.20 -1.73 0.15 115.11 118.68 1jsa h GLN 49 Ca 0.23 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 1jsa h GLN 49 Cb 0.56 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 1jsa h GLN 49 CO -0.71 0.00 -0.10 1.15 -0.67 0.00 0.00 178.83 178.50 1jsa h THR 50 N 0.00 0.67 -0.00 -0.54 2.02 0.38 -1.05 112.91 114.39 1jsa h THR 50 Ca 0.29 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1jsa h THR 50 Cb 1.17 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1jsa h THR 50 CO -0.00 0.10 -0.47 -0.38 0.37 0.00 0.00 175.52 175.13 1jsa n ILE 51 N -3.84 0.00 0.77 3.11 5.41 0.53 -3.70 119.36 121.64 1jsa n ILE 51 Ca -0.02 -0.01 0.12 0.00 1.00 0.00 0.00 62.75 63.84 1jsa n ILE 51 Cb 0.20 0.24 0.19 0.00 -0.71 0.00 0.00 39.64 39.56 1jsa n ILE 51 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1jsa n TYR 52 N -1.44 0.26 0.37 1.39 4.02 -0.41 -4.32 117.16 117.03 1jsa n TYR 52 Ca 0.06 0.07 -0.15 0.00 -0.01 0.00 0.00 57.90 57.87 1jsa n TYR 52 Cb 0.34 -0.44 -0.07 0.00 -0.02 0.00 0.00 39.34 39.15 1jsa n TYR 52 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1jsa h SER 53 N 0.00 -0.85 -0.87 7.72 0.02 -1.60 -2.92 113.55 115.04 1jsa h SER 53 Ca 0.00 0.03 0.16 0.00 -0.84 0.00 0.00 61.79 61.15 1jsa h SER 53 Cb 0.63 0.23 -0.16 0.00 0.14 0.00 0.00 62.40 63.24 1jsa h SER 53 CO 0.00 -0.59 -0.28 0.11 -1.14 0.00 0.00 176.83 174.93 1jsa h LYS 54 N -0.97 -0.02 0.00 3.45 1.57 -1.81 -3.33 116.57 115.46 1jsa h LYS 54 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1jsa h LYS 54 Cb 0.75 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1jsa h LYS 54 CO 0.15 -0.02 0.00 1.19 -0.57 0.00 0.00 179.45 180.20 1jsa n PHE 55 N -5.53 0.00 -1.39 -1.35 3.01 -1.16 -4.78 117.46 106.27 1jsa n PHE 55 Ca 0.11 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 58.10 1jsa n PHE 55 Cb 0.42 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.87 1jsa n PHE 55 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1jsa n PHE 56 N 0.00 -0.62 0.00 1.38 3.72 -1.11 -4.92 117.46 115.91 1jsa n PHE 56 Ca 0.00 0.94 0.00 0.00 -0.05 0.00 0.00 57.45 58.34 1jsa n PHE 56 Cb 0.00 -1.94 0.00 0.00 -0.94 0.00 0.00 39.48 36.60 1jsa n PHE 56 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1jsa n PRO 57 N 1.02 0.00 -2.87 -1.08 -0.04 -1.26 -4.65 135.00 126.12 1jsa n PRO 57 Ca 0.17 0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.55 1jsa n PRO 57 Cb 0.26 -0.70 -0.00 0.00 -0.04 0.00 0.00 33.50 33.02 1jsa n PRO 57 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1jsa n GLU 58 N -0.21 0.56 0.00 0.54 1.02 -1.26 -4.94 120.64 116.35 1jsa n GLU 58 Ca 0.00 -2.19 0.00 0.00 -0.02 0.00 0.00 57.16 54.95 1jsa n GLU 58 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1jsa n GLU 58 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jsa n ALA 59 N 2.52 0.00 -2.76 0.62 0.00 -1.26 -5.03 120.51 114.60 1jsa n ALA 59 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.52 1jsa n ALA 59 Cb 0.56 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.06 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 0.37 0.00 0.00 9.92 -1.12 -4.89 116.55 120.82 1jsa n ASP 60 Ca 0.00 -2.77 0.05 0.00 -0.53 0.00 0.00 54.79 51.55 1jsa n ASP 60 Cb 0.00 -0.05 0.24 0.00 -0.64 0.00 0.00 41.12 40.67 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 -0.10 0.03 -0.47 -0.24 -0.04 -1.26 -3.30 135.00 129.61 1jsa n PRO 61 Ca 0.09 0.29 0.39 0.00 -0.04 0.00 0.00 63.50 64.23 1jsa n PRO 61 Cb 0.79 -1.50 0.69 0.00 -0.04 0.00 0.00 33.50 33.45 1jsa n PRO 61 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1jsa h LYS 62 N 0.00 0.08 0.04 0.54 2.10 -1.94 2.76 116.57 120.16 1jsa h LYS 62 Ca 0.00 -0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.37 1jsa h LYS 62 Cb 0.17 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.46 1jsa h LYS 62 CO 0.00 0.05 -1.41 0.00 -2.00 0.00 0.00 179.45 176.09 1jsa h ALA 63 N 1.43 0.45 0.00 0.07 0.00 -1.87 -3.21 119.26 116.13 1jsa h ALA 63 Ca 0.78 -1.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1jsa h ALA 63 Cb 2.70 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 20.68 1jsa h ALA 63 CO -0.24 1.31 -1.05 -0.92 0.00 0.00 0.00 179.25 178.34 1jsa h TYR 64 N 0.03 0.00 0.00 0.00 3.20 0.92 -3.28 116.97 117.84 1jsa h TYR 64 Ca -0.18 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.69 1jsa h TYR 64 Cb 1.93 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.20 1jsa h TYR 64 CO 0.02 0.08 -0.21 0.00 -1.64 0.00 0.00 178.16 176.41 1jsa h ALA 65 N 1.92 0.88 0.00 1.82 0.00 0.42 -3.22 119.26 121.08 1jsa h ALA 65 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1jsa h ALA 65 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1jsa h ALA 65 CO 0.01 0.00 -1.11 1.96 0.00 0.00 0.00 179.25 180.10 1jsa h GLN 66 N 0.00 0.00 0.00 0.00 4.20 -1.66 -3.31 115.11 114.35 1jsa h GLN 66 Ca 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1jsa h GLN 66 Cb 0.92 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1jsa h GLN 66 CO 0.00 0.11 -0.28 0.45 -0.67 0.00 0.00 178.83 178.44 1jsa h HIS 67 N 0.00 0.00 0.00 2.96 3.86 -1.61 -2.75 115.15 117.61 1jsa h HIS 67 Ca -0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1jsa h HIS 67 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 1jsa h HIS 67 CO 0.00 0.28 0.00 0.28 0.86 0.00 0.00 177.93 179.35 1jsa n VAL 68 N -3.34 1.19 0.00 2.45 0.31 -1.24 -3.45 118.33 114.26 1jsa n VAL 68 Ca 0.01 0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 1jsa n VAL 68 Cb 0.51 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 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 -1.49 0.00 0.24 3.52 7.35 -1.04 -3.35 117.46 122.70 1jsa n PHE 69 Ca 0.03 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.77 1jsa n PHE 69 Cb 0.13 -0.20 0.25 0.00 0.35 0.00 0.00 39.48 40.01 1jsa n PHE 69 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1jsa h ARG 70 N 0.00 0.00 -0.55 -4.13 2.43 -1.75 0.53 114.38 110.90 1jsa h ARG 70 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1jsa h ARG 70 Cb 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1jsa h ARG 70 CO 0.00 0.00 0.23 0.77 -1.51 0.00 0.00 179.97 179.46 1jsa h SER 71 N 0.00 0.72 -0.06 -3.80 0.02 -1.58 -3.38 113.55 105.48 1jsa h SER 71 Ca 0.00 -0.09 -0.24 0.00 -0.84 0.00 0.00 61.79 60.62 1jsa h SER 71 Cb 1.25 -0.19 -0.16 0.00 0.14 0.00 0.00 62.40 63.44 1jsa h SER 71 CO 0.00 0.65 -0.43 0.33 -1.14 0.00 0.00 176.83 176.23 1jsa n PHE 72 N -4.34 -2.61 0.00 3.45 7.35 0.18 -4.60 117.46 116.89 1jsa n PHE 72 Ca 0.05 -2.10 0.00 0.00 -0.76 0.00 0.00 57.45 54.64 1jsa n PHE 72 Cb 0.16 1.56 0.00 0.00 0.35 0.00 0.00 39.48 41.54 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 0.00 0.00 0.00 -2.13 2.03 -0.98 -4.94 116.55 110.53 1jsa n ASP 73 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1jsa n ASP 73 Cb 0.76 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.16 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 -3.00 0.00 -2.78 -1.67 0.00 -1.26 -4.71 120.51 107.09 1jsa n ALA 74 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1jsa n ALA 74 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.00 4.00 -2.13 0.00 6.94 -1.26 -4.87 115.26 117.95 1jsa n ASN 75 Ca 0.00 -3.56 -0.14 0.00 -0.02 0.00 0.00 54.58 50.86 1jsa n ASN 75 Cb 0.00 -0.53 0.04 0.00 -2.36 0.00 0.00 39.78 36.93 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 -0.27 -4.43 0.01 0.53 7.64 -1.26 -4.85 113.62 110.99 1jsa n SER 76 Ca 0.32 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1jsa n SER 76 Cb 0.54 -3.13 0.00 0.00 -1.01 0.00 0.00 64.21 60.61 1jsa n SER 76 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1jsa n ASP 77 N -0.98 -0.07 0.00 6.43 5.75 -1.26 -5.03 116.55 121.40 1jsa n ASP 77 Ca -0.02 0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1jsa n ASP 77 Cb 0.55 0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 1jsa n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jsa n GLY 78 N 0.68 0.69 3.12 6.12 0.00 -1.26 -5.04 105.19 109.49 1jsa n GLY 78 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.60 0.48 -0.19 2.61 -4.23 -1.26 -4.79 115.64 105.66 1jsa s THR 79 Ca 0.00 -1.70 -0.13 0.00 -1.18 0.00 0.00 61.69 58.68 1jsa s THR 79 Cb 0.00 -1.37 -0.05 0.00 1.34 0.00 0.00 72.50 72.42 1jsa s THR 79 CO 0.00 -0.81 0.26 -0.76 -0.54 0.00 0.00 174.62 172.77 1jsa s LEU 80 N -2.67 4.20 0.45 4.79 1.43 -0.46 -4.78 118.68 121.64 1jsa s LEU 80 Ca 0.05 0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 53.52 1jsa s LEU 80 Cb 0.03 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 1jsa s LEU 80 CO -0.05 0.08 0.72 -0.62 0.23 0.00 0.00 176.35 176.70 1jsa s ASP 81 N 0.64 6.15 0.60 2.29 2.15 -1.26 -2.39 116.67 124.86 1jsa s ASP 81 Ca 0.14 0.70 0.35 0.00 0.43 0.00 0.00 52.55 54.17 1jsa s ASP 81 Cb -0.13 -2.05 1.92 0.00 -0.30 0.00 0.00 42.92 42.36 1jsa s ASP 81 CO 0.04 -0.56 2.23 0.15 -0.17 0.00 0.00 175.17 176.85 1jsa h PHE 82 N 0.35 0.00 -0.03 -5.34 3.57 -1.98 -1.01 116.94 112.49 1jsa h PHE 82 Ca -0.47 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.01 1jsa h PHE 82 Cb 1.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1jsa h PHE 82 CO 0.54 0.03 -0.06 -0.22 -2.23 0.00 0.00 178.31 176.37 1jsa h LYS 83 N 0.00 0.09 0.00 1.11 3.11 -1.97 -3.06 116.57 115.85 1jsa h LYS 83 Ca -0.00 -0.06 -0.05 0.00 -2.81 0.00 0.00 60.65 57.73 1jsa h LYS 83 Cb 0.14 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.37 1jsa h LYS 83 CO 0.00 0.64 -0.25 0.93 -2.81 0.00 0.00 179.45 177.97 1jsa h GLU 84 N -0.46 0.00 -0.57 1.90 5.08 -1.85 -2.98 114.58 115.71 1jsa h GLU 84 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1jsa h GLU 84 Cb 0.64 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1jsa h GLU 84 CO 0.01 0.25 0.35 -0.92 -1.00 0.00 0.00 179.01 177.70 1jsa h TYR 85 N 0.00 0.65 0.47 4.33 3.20 -1.11 -2.42 116.97 122.09 1jsa h TYR 85 Ca -0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1jsa h TYR 85 Cb 0.68 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1jsa h TYR 85 CO 0.00 0.38 -0.51 0.28 -1.64 0.00 0.00 178.16 176.67 1jsa h VAL 86 N 0.69 0.02 -0.87 1.81 2.07 -1.43 0.71 116.25 119.26 1jsa h VAL 86 Ca 0.22 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.97 1jsa h VAL 86 Cb 0.00 0.02 -0.14 0.00 -1.52 0.00 0.00 31.29 29.65 1jsa h VAL 86 CO -0.09 0.00 0.21 0.40 0.02 0.00 0.00 177.57 178.11 1jsa h ILE 87 N -0.99 0.32 0.04 4.57 1.08 -1.61 0.17 117.51 121.09 1jsa h ILE 87 Ca -0.06 -0.07 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1jsa h ILE 87 Cb 0.87 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1jsa h ILE 87 CO -0.08 0.04 -0.02 0.00 -0.69 0.00 0.00 178.15 177.39 1jsa h ALA 88 N 1.77 -0.41 -0.89 1.87 0.00 -0.85 -2.83 119.26 117.93 1jsa h ALA 88 Ca 0.54 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.56 1jsa h ALA 88 Cb 1.07 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 1jsa h ALA 88 CO -0.66 -0.41 -0.42 1.25 0.00 0.00 0.00 179.25 179.01 1jsa h LEU 89 N -0.11 -1.52 -0.03 0.00 7.12 0.64 -0.53 115.31 120.88 1jsa h LEU 89 Ca -0.01 0.29 0.03 0.00 0.13 0.00 0.00 57.88 58.33 1jsa h LEU 89 Cb 0.04 0.75 -0.06 0.00 -0.53 0.00 0.00 40.66 40.87 1jsa h LEU 89 CO 0.01 -0.29 -0.38 1.12 -0.13 0.00 0.00 178.44 178.77 1jsa h HIS 90 N -0.05 -1.05 -1.29 1.25 2.07 -0.80 0.25 115.15 115.53 1jsa h HIS 90 Ca 0.28 0.04 0.37 0.00 -2.85 0.00 0.00 60.37 58.21 1jsa h HIS 90 Cb 0.56 0.47 -0.06 0.00 2.57 0.00 0.00 27.41 30.95 1jsa h HIS 90 CO -0.85 -0.46 0.92 1.98 -3.07 0.00 0.00 177.93 176.46 1jsa h MET 91 N -0.51 0.03 0.00 5.12 1.85 -0.85 1.21 114.93 121.78 1jsa h MET 91 Ca 0.06 -0.00 -0.16 0.00 -0.61 0.00 0.00 59.70 58.99 1jsa h MET 91 Cb 0.61 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.61 1jsa h MET 91 CO -0.31 0.02 -0.93 1.15 -0.40 0.00 0.00 176.91 176.44 1jsa h THR 92 N 0.03 1.04 -1.39 -0.77 2.02 0.06 -3.42 112.91 110.48 1jsa h THR 92 Ca 0.63 -2.57 -0.34 0.00 0.77 0.00 0.00 66.41 64.90 1jsa h THR 92 Cb 2.43 2.47 -0.25 0.00 -1.74 0.00 0.00 68.15 71.06 1jsa h THR 92 CO -0.04 0.59 -0.71 -0.24 0.37 0.00 0.00 175.52 175.49 1jsa n SER 93 N -3.18 -2.07 0.00 4.18 2.88 0.40 -5.01 113.62 110.82 1jsa n SER 93 Ca -0.02 -2.78 0.00 0.00 -1.33 0.00 0.00 58.87 54.74 1jsa n SER 93 Cb 0.84 0.79 0.00 0.00 -0.75 0.00 0.00 64.21 65.09 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 2.56 0.00 -2.62 -1.46 0.00 -0.03 -4.62 120.51 114.34 1jsa n ALA 94 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1jsa n ALA 94 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.16 4.37 0.00 0.00 0.00 -1.26 -5.00 105.19 102.14 1jsa n GLY 95 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.09 0.00 -1.02 1.61 3.00 -1.26 -4.98 118.16 115.42 1jsa n LYS 96 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.95 1jsa n LYS 96 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.09 1jsa n LYS 96 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1jsa n THR 97 N -0.14 0.27 -0.04 3.15 -2.24 -1.26 -4.94 114.28 109.07 1jsa n THR 97 Ca 0.00 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1jsa n THR 97 Cb 0.00 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1jsa n THR 97 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1jsa n ASN 98 N 1.58 -0.36 0.00 3.42 6.94 -1.26 -4.28 115.26 121.30 1jsa n ASN 98 Ca 0.03 -0.04 0.00 0.00 -0.02 0.00 0.00 54.58 54.55 1jsa n ASN 98 Cb 0.53 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 1jsa n ASN 98 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1jsa n GLN 99 N -0.40 -0.40 -0.06 -3.83 -0.06 -1.26 -4.82 117.38 106.55 1jsa n GLN 99 Ca 0.00 0.10 0.08 0.00 -2.00 0.00 0.00 57.00 55.18 1jsa n GLN 99 Cb 0.00 -3.42 0.11 0.00 -4.06 0.00 0.00 30.24 22.87 1jsa n GLN 99 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1jsa n LYS 100 N -1.93 1.65 -0.10 3.69 4.76 -1.26 -4.51 118.16 120.46 1jsa n LYS 100 Ca 0.00 -1.68 -0.12 0.00 -2.87 0.00 0.00 58.31 53.64 1jsa n LYS 100 Cb 0.10 -1.34 -0.04 0.00 -1.84 0.00 0.00 35.03 31.92 1jsa n LYS 100 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1jsa h LEU 101 N 3.19 0.60 -0.15 -0.35 3.38 -1.93 -2.72 115.31 117.33 1jsa h LEU 101 Ca 0.00 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.62 1jsa h LEU 101 Cb 0.73 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1jsa h LEU 101 CO 0.00 0.83 -0.20 -0.33 0.09 0.00 0.00 178.44 178.83 1jsa h GLU 102 N 0.36 -0.14 -0.78 1.13 3.07 -1.94 0.34 114.58 116.61 1jsa h GLU 102 Ca 0.08 0.01 0.19 0.00 -0.50 0.00 0.00 59.36 59.13 1jsa h GLU 102 Cb 0.58 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.47 1jsa h GLU 102 CO 0.03 -0.09 0.53 2.35 -1.40 0.00 0.00 179.01 180.43 1jsa h TRP 103 N -0.15 0.28 -0.34 4.33 7.01 -1.87 0.14 115.95 125.36 1jsa h TRP 103 Ca 0.03 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.96 1jsa h TRP 103 Cb 0.22 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 1jsa h TRP 103 CO -0.65 0.09 -0.09 0.00 -2.79 0.00 0.00 178.44 175.00 1jsa h ALA 104 N 1.64 1.21 -1.54 2.65 0.00 -0.16 -2.65 119.26 120.41 1jsa h ALA 104 Ca 0.38 -0.27 0.45 0.00 0.00 0.00 0.00 54.91 55.47 1jsa h ALA 104 Cb 1.17 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 1jsa h ALA 104 CO -0.08 0.51 1.16 0.35 0.00 0.00 0.00 179.25 181.19 1jsa h PHE 105 N 0.54 0.00 0.14 0.00 3.04 0.22 0.38 116.94 121.26 1jsa h PHE 105 Ca 0.10 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 1jsa h PHE 105 Cb 0.48 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.99 1jsa h PHE 105 CO 0.02 0.00 -0.07 1.03 -2.02 0.00 0.00 178.31 177.27 1jsa h SER 106 N 0.00 -0.16 0.47 0.41 0.87 -1.60 -1.69 113.55 111.85 1jsa h SER 106 Ca 0.73 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 61.04 1jsa h SER 106 Cb 3.05 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 65.03 1jsa h SER 106 CO -0.01 0.16 -0.40 0.25 -0.53 0.00 0.00 176.83 176.30 1jsa h LEU 107 N -0.49 -1.07 -2.19 2.23 7.12 -0.43 -0.14 115.31 120.33 1jsa h LEU 107 Ca -0.02 0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.07 1jsa h LEU 107 Cb 0.39 0.34 0.00 0.00 -0.53 0.00 0.00 40.66 40.86 1jsa h LEU 107 CO 0.03 -0.57 0.26 1.88 -0.13 0.00 0.00 178.44 179.91 1jsa h TYR 108 N -0.87 0.00 -2.64 1.25 0.05 -1.49 -2.79 116.97 110.48 1jsa h TYR 108 Ca -0.05 0.00 -0.78 0.00 0.05 0.00 0.00 58.73 57.95 1jsa h TYR 108 Cb 0.75 0.00 -0.30 0.00 1.01 0.00 0.00 36.73 38.19 1jsa h TYR 108 CO -0.18 0.00 0.65 -3.47 -1.05 0.00 0.00 178.16 174.10 1jsa n ASP 109 N -2.91 6.33 -0.18 3.88 2.03 -0.07 -4.69 116.55 120.93 1jsa n ASP 109 Ca -0.02 -3.51 -0.05 0.00 0.52 0.00 0.00 54.79 51.73 1jsa n ASP 109 Cb 0.31 -1.15 0.01 0.00 -0.72 0.00 0.00 41.12 39.57 1jsa n ASP 109 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1jsa h VAL 110 N 3.06 0.21 -0.70 5.18 2.07 -1.58 0.49 116.25 124.97 1jsa h VAL 110 Ca 0.29 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.96 1jsa h VAL 110 Cb 0.53 0.21 -0.12 0.00 -1.52 0.00 0.00 31.29 30.39 1jsa h VAL 110 CO 1.22 0.00 0.01 -2.24 0.02 0.00 0.00 177.57 176.58 1jsa h ASP 111 N -0.17 -0.31 0.00 0.57 3.04 -1.90 -3.46 116.42 114.19 1jsa h ASP 111 Ca 0.23 0.18 0.00 0.00 -3.24 0.00 0.00 57.03 54.19 1jsa h ASP 111 Cb 0.54 0.31 0.00 0.00 -1.04 0.00 0.00 39.33 39.14 1jsa h ASP 111 CO -0.64 -0.15 0.00 0.61 -2.04 0.00 0.00 179.24 177.02 1jsa n GLY 112 N -1.40 1.27 0.00 7.15 0.00 0.16 -5.10 105.19 107.27 1jsa n GLY 112 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1jsa n GLY 112 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jsa n ASN 113 N 0.00 0.00 -0.36 1.61 5.03 -1.26 -5.06 115.26 115.22 1jsa n ASN 113 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1jsa n ASN 113 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1jsa n ASN 113 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jsa n GLY 114 N 5.00 0.50 3.23 7.41 0.00 -1.26 -5.09 105.19 114.98 1jsa n GLY 114 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -0.17 0.11 2.61 -4.23 -1.26 -3.72 115.64 108.97 1jsa s THR 115 Ca 0.00 0.13 -0.16 0.00 -1.18 0.00 0.00 61.69 60.48 1jsa s THR 115 Cb 0.00 -0.59 -0.07 0.00 1.34 0.00 0.00 72.50 73.19 1jsa s THR 115 CO 0.00 0.05 0.53 -0.63 -0.54 0.00 0.00 174.62 174.04 1jsa s ILE 116 N 1.69 4.85 0.42 2.99 1.01 0.06 -4.88 121.20 127.32 1jsa s ILE 116 Ca -0.07 0.93 0.03 0.00 0.00 0.00 0.00 60.65 61.54 1jsa s ILE 116 Cb -0.10 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 1jsa s ILE 116 CO -0.12 0.37 0.08 -0.44 0.00 0.00 0.00 174.94 174.83 1jsa s SER 117 N -1.47 3.10 0.13 3.58 0.01 -1.26 -2.56 113.70 115.23 1jsa s SER 117 Ca 0.33 -1.60 -0.20 0.00 1.31 0.00 0.00 55.95 55.80 1jsa s SER 117 Cb -0.16 0.35 -0.01 0.00 0.21 0.00 0.00 66.02 66.40 1jsa s SER 117 CO 0.18 -0.83 1.70 0.11 0.41 0.00 0.00 173.24 174.82 1jsa h LYS 118 N 1.74 0.01 -0.10 12.44 1.57 -1.97 -1.51 116.57 128.75 1jsa h LYS 118 Ca -0.39 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.43 1jsa h LYS 118 Cb 1.28 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.54 1jsa h LYS 118 CO 0.65 0.00 -0.17 -2.95 -0.57 0.00 0.00 179.45 176.41 1jsa h ASN 119 N 0.01 -0.51 -0.00 0.86 7.08 -1.99 0.28 115.58 121.31 1jsa h ASN 119 Ca 0.11 0.09 0.03 0.00 -3.08 0.00 0.00 56.30 53.45 1jsa h ASN 119 Cb 0.16 0.23 -0.06 0.00 -2.08 0.00 0.00 38.32 36.58 1jsa h ASN 119 CO -0.22 -0.22 -0.41 -0.33 -2.08 0.00 0.00 177.43 174.16 1jsa h GLU 120 N -0.22 -0.55 -0.67 4.14 5.08 -1.84 -1.19 114.58 119.33 1jsa h GLU 120 Ca 0.09 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.61 1jsa h GLU 120 Cb 0.35 0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.63 1jsa h GLU 120 CO -0.23 -0.37 0.20 0.28 -1.00 0.00 0.00 179.01 177.89 1jsa h VAL 121 N -0.57 0.64 -1.00 3.13 2.07 -0.93 0.98 116.25 120.57 1jsa h VAL 121 Ca 0.05 -0.11 0.21 0.00 0.82 0.00 0.00 66.70 67.66 1jsa h VAL 121 Cb 0.65 0.28 -0.11 0.00 -1.52 0.00 0.00 31.29 30.59 1jsa h VAL 121 CO -0.32 0.06 0.61 -0.07 0.02 0.00 0.00 177.57 177.88 1jsa h LEU 122 N 0.33 0.71 0.17 2.57 3.38 0.25 0.46 115.31 123.18 1jsa h LEU 122 Ca 0.36 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.42 1jsa h LEU 122 Cb 0.54 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1jsa h LEU 122 CO -0.41 0.22 -0.08 -0.33 0.09 0.00 0.00 178.44 177.93 1jsa h GLU 123 N 0.67 -0.21 -0.79 1.13 3.07 -0.15 -1.37 114.58 116.92 1jsa h GLU 123 Ca 0.58 0.01 0.08 0.00 -0.50 0.00 0.00 59.36 59.54 1jsa h GLU 123 Cb 1.03 0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 28.92 1jsa h GLU 123 CO -0.37 0.01 0.45 0.82 -1.40 0.00 0.00 179.01 178.52 1jsa h ILE 124 N -0.41 0.94 0.57 3.13 1.08 -0.88 0.21 117.51 122.14 1jsa h ILE 124 Ca -0.02 -0.27 -0.02 0.00 -0.39 0.00 0.00 64.86 64.15 1jsa h ILE 124 Cb 0.32 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.15 1jsa h ILE 124 CO 0.04 0.14 -0.40 0.58 -0.69 0.00 0.00 178.15 177.82 1jsa h VAL 125 N 0.79 0.00 -0.24 1.67 2.07 -0.73 0.85 116.25 120.66 1jsa h VAL 125 Ca 0.37 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.95 1jsa h VAL 125 Cb 0.30 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.01 1jsa h VAL 125 CO -0.22 0.00 -0.15 0.74 0.02 0.00 0.00 177.57 177.96 1jsa h THR 126 N -0.92 0.57 -0.30 2.57 2.02 -0.94 0.12 112.91 116.02 1jsa h THR 126 Ca -0.08 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.16 1jsa h THR 126 Cb 0.75 0.57 -0.08 0.00 -1.74 0.00 0.00 68.15 67.65 1jsa h THR 126 CO 0.04 0.00 -0.45 0.00 0.37 0.00 0.00 175.52 175.48 1jsa h ALA 127 N 1.04 -0.56 0.12 6.16 0.00 -0.40 0.98 119.26 126.59 1jsa h ALA 127 Ca 0.13 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1jsa h ALA 127 Cb 0.33 0.90 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1jsa h ALA 127 CO -0.32 -0.93 -0.25 0.82 0.00 0.00 0.00 179.25 178.57 1jsa h ILE 128 N -0.41 0.44 -0.24 0.00 2.04 -0.24 0.11 117.51 119.21 1jsa h ILE 128 Ca 0.10 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.03 1jsa h ILE 128 Cb 0.61 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1jsa h ILE 128 CO -0.51 0.00 0.51 -0.26 0.00 0.00 0.00 178.15 177.88 1jsa h PHE 129 N -0.46 0.00 -0.06 1.37 -1.00 0.09 0.28 116.94 117.15 1jsa h PHE 129 Ca 0.03 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.76 1jsa h PHE 129 Cb 0.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.05 1jsa h PHE 129 CO -0.23 0.00 -0.14 -0.22 -1.61 0.00 0.00 178.31 176.10 1jsa h LYS 130 N 0.00 0.21 0.00 1.51 1.63 0.17 -2.85 116.57 117.24 1jsa h LYS 130 Ca 0.12 -0.14 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1jsa h LYS 130 Cb 1.13 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1jsa h LYS 130 CO -0.00 0.74 -0.00 1.98 -3.45 0.00 0.00 179.45 178.71 1jsa h MET 131 N -0.30 0.00 -6.87 1.90 1.85 -0.15 -2.97 114.93 108.39 1jsa h MET 131 Ca -0.00 0.00 -0.48 0.00 -0.61 0.00 0.00 59.70 58.61 1jsa h MET 131 Cb 0.74 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.77 1jsa h MET 131 CO 0.03 0.00 0.38 0.42 -0.40 0.00 0.00 176.91 177.35 1jsa s ILE 132 N -4.11 3.95 0.29 1.77 1.01 -0.90 -4.34 121.20 118.88 1jsa s ILE 132 Ca -0.04 1.70 -0.05 0.00 0.00 0.00 0.00 60.65 62.25 1jsa s ILE 132 Cb 0.12 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 1jsa s ILE 132 CO 0.45 0.20 0.56 -0.44 0.00 0.00 0.00 174.94 175.71 1jsa s SER 133 N -1.41 6.46 0.03 3.58 0.01 -1.26 -4.79 113.70 116.31 1jsa s SER 133 Ca 0.50 0.74 -0.10 0.00 1.31 0.00 0.00 55.95 58.39 1jsa s SER 133 Cb -0.23 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 1jsa s SER 133 CO 0.29 -0.19 1.16 -0.65 0.41 0.00 0.00 173.24 174.25 1jsa h PRO 134 N 1.73 -0.24 -0.00 12.44 0.11 -1.95 1.65 132.00 145.74 1jsa h PRO 134 Ca -0.48 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jsa h PRO 134 Cb 1.19 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1jsa h PRO 134 CO 0.66 -0.16 0.70 1.05 -0.21 0.00 0.00 178.00 180.05 1jsa h GLU 135 N -0.25 0.00 0.00 1.05 9.09 -2.02 1.17 114.58 123.62 1jsa h GLU 135 Ca -0.01 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.33 1jsa h GLU 135 Cb 0.23 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.31 1jsa h GLU 135 CO -0.05 0.00 -1.97 -0.25 0.05 0.00 0.00 179.01 176.78 1jsa n ASP 136 N -2.68 0.52 0.00 3.06 8.00 0.05 -4.23 116.55 121.28 1jsa n ASP 136 Ca -0.01 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.57 1jsa n ASP 136 Cb 0.72 1.68 0.37 0.00 -0.02 0.00 0.00 41.12 43.88 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 -2.29 0.80 0.03 -3.53 -1.04 0.54 -2.51 114.28 106.28 1jsa n THR 137 Ca -0.09 0.20 -0.05 0.00 -2.04 0.00 0.00 64.05 62.07 1jsa n THR 137 Cb 0.64 -0.91 -0.11 0.00 -1.82 0.00 0.00 70.33 68.14 1jsa n THR 137 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1jsa h LYS 138 N 0.00 0.00 0.40 -2.82 6.56 -1.68 -3.37 116.57 115.67 1jsa h LYS 138 Ca 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 1jsa h LYS 138 Cb 0.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 1jsa h LYS 138 CO 0.00 0.57 -0.19 0.45 -2.06 0.00 0.00 179.45 178.22 1jsa h HIS 139 N 0.00 -0.50 -2.27 -1.35 3.86 -1.71 -3.44 115.15 109.74 1jsa h HIS 139 Ca -0.16 -0.01 -0.58 0.00 -1.16 0.00 0.00 60.37 58.46 1jsa h HIS 139 Cb 1.79 0.17 0.20 0.00 1.06 0.00 0.00 27.41 30.63 1jsa h HIS 139 CO 0.00 -0.21 -1.19 1.47 0.86 0.00 0.00 177.93 178.86 1jsa n LEU 140 N -5.25 -3.33 -4.70 2.43 -0.00 -1.25 -4.61 117.00 100.29 1jsa n LEU 140 Ca -0.11 0.51 -0.62 0.00 -0.00 0.00 0.00 56.01 55.79 1jsa n LEU 140 Cb 0.27 -0.91 -0.09 0.00 -0.00 0.00 0.00 43.42 42.70 1jsa n LEU 140 CO 0.33 -4.77 1.14 -2.65 -0.00 0.00 0.00 177.39 171.44 1jsa n PRO 141 N 1.28 0.49 0.00 1.47 -0.02 -1.26 -4.81 135.00 132.16 1jsa n PRO 141 Ca 0.06 0.18 0.14 0.00 -2.02 0.00 0.00 63.50 61.86 1jsa n PRO 141 Cb 0.50 -1.76 0.64 0.00 -0.02 0.00 0.00 33.50 32.87 1jsa n PRO 141 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1jsa n GLU 142 N 4.17 0.10 0.11 -0.52 0.00 -1.26 -3.17 120.64 120.07 1jsa n GLU 142 Ca 0.28 -0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.46 1jsa n GLU 142 Cb 0.04 -1.50 0.16 0.00 0.00 0.00 0.00 31.44 30.13 1jsa n GLU 142 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1jsa n ASP 143 N -1.45 0.15 0.09 4.31 9.92 -1.26 -3.49 116.55 124.81 1jsa n ASP 143 Ca 0.09 0.36 0.00 0.00 -0.53 0.00 0.00 54.79 54.71 1jsa n ASP 143 Cb 0.32 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 1jsa n ASP 143 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1jsa n GLU 144 N -1.70 0.00 -0.21 -1.24 0.00 -1.24 -4.99 120.64 111.26 1jsa n GLU 144 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1jsa n GLU 144 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.86 1jsa n GLU 144 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1jsa n ASN 145 N -3.00 0.00 -4.22 -1.84 4.05 -1.19 -4.77 115.26 104.29 1jsa n ASN 145 Ca 0.00 0.00 -0.13 0.00 0.45 0.00 0.00 54.58 54.90 1jsa n ASN 145 Cb 0.00 -1.32 -0.10 0.00 1.23 0.00 0.00 39.78 39.59 1jsa n ASN 145 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1jsa s THR 146 N -0.60 0.97 0.04 -0.44 -4.23 -1.26 -5.01 115.64 105.11 1jsa s THR 146 Ca 0.00 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.25 1jsa s THR 146 Cb 0.00 -1.77 -0.15 0.00 1.34 0.00 0.00 72.50 71.93 1jsa s THR 146 CO 0.00 -0.79 1.37 1.55 -0.54 0.00 0.00 174.62 176.21 1jsa h PRO 147 N 2.88 -0.92 -0.70 3.99 0.13 -1.96 2.24 132.00 137.66 1jsa h PRO 147 Ca -0.36 0.06 0.20 0.00 -0.87 0.00 0.00 66.00 65.03 1jsa h PRO 147 Cb 1.18 0.21 -0.03 0.00 0.13 0.00 0.00 31.00 32.49 1jsa h PRO 147 CO 0.64 -0.62 0.68 0.93 -0.23 0.00 0.00 178.00 179.40 1jsa h GLU 148 N -0.98 0.00 0.14 0.86 4.39 -1.97 1.21 114.58 118.23 1jsa h GLU 148 Ca -0.10 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.26 1jsa h GLU 148 Cb 0.73 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1jsa h GLU 148 CO 0.16 0.00 -1.81 0.87 -1.16 0.00 0.00 179.01 177.07 1jsa h LYS 149 N 0.00 0.30 -0.22 2.33 1.57 -1.68 -3.36 116.57 115.51 1jsa h LYS 149 Ca 0.33 -0.52 -0.10 0.00 -1.87 0.00 0.00 60.65 58.49 1jsa h LYS 149 Cb 1.69 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 34.19 1jsa h LYS 149 CO -0.00 1.25 -0.26 0.00 -0.57 0.00 0.00 179.45 179.86 1jsa h ARG 150 N -0.00 0.57 -1.28 3.15 2.47 0.74 -2.94 114.38 117.09 1jsa h ARG 150 Ca -0.38 -0.32 0.39 0.00 -1.26 0.00 0.00 59.98 58.42 1jsa h ARG 150 Cb 2.00 0.02 -0.11 0.00 -1.65 0.00 0.00 29.97 30.23 1jsa h ARG 150 CO 0.11 0.91 0.85 0.00 0.56 0.00 0.00 179.97 182.40 1jsa h ALA 151 N 0.65 2.73 0.00 0.04 0.00 0.11 2.47 119.26 125.25 1jsa h ALA 151 Ca 0.03 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1jsa h ALA 151 Cb 0.83 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1jsa h ALA 151 CO 0.06 -1.27 -0.47 0.93 0.00 0.00 0.00 179.25 178.51 1jsa h GLU 152 N 0.15 0.00 0.02 0.00 4.39 -1.66 -1.76 114.58 115.72 1jsa h GLU 152 Ca 0.75 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.44 1jsa h GLU 152 Cb 2.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.01 1jsa h GLU 152 CO -0.32 0.47 -0.01 -0.22 -1.16 0.00 0.00 179.01 177.77 1jsa h LYS 153 N 0.00 -0.02 0.08 2.33 3.64 0.42 -1.47 116.57 121.54 1jsa h LYS 153 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1jsa h LYS 153 Cb 0.94 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1jsa h LYS 153 CO 0.06 0.60 -0.04 0.82 -2.27 0.00 0.00 179.45 178.62 1jsa h ILE 154 N -0.68 0.00 -0.97 2.00 2.04 -1.35 -1.65 117.51 116.91 1jsa h ILE 154 Ca -0.00 -0.06 0.23 0.00 1.00 0.00 0.00 64.86 66.03 1jsa h ILE 154 Cb 0.64 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.64 1jsa h ILE 154 CO 0.00 0.00 0.64 -0.25 0.00 0.00 0.00 178.15 178.54 1jsa h TRP 155 N -0.17 0.59 0.00 1.37 2.91 -1.50 0.79 115.95 119.93 1jsa h TRP 155 Ca -0.01 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 59.97 1jsa h TRP 155 Cb 0.08 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 28.55 1jsa h TRP 155 CO 0.11 0.11 -0.28 0.78 -1.03 0.00 0.00 178.44 178.13 1jsa h GLY 156 N 0.40 0.00 0.76 2.65 0.00 -1.28 -2.72 103.07 102.88 1jsa h GLY 156 Ca 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.83 1jsa h GLY 156 CO -0.22 0.00 -0.23 -2.75 0.00 0.00 0.00 176.54 173.34 1jsa h PHE 157 N 0.00 -0.60 -0.80 5.60 3.04 0.16 -3.12 116.94 121.22 1jsa h PHE 157 Ca -0.00 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.01 1jsa h PHE 157 Cb 0.58 0.20 -0.07 0.00 2.56 0.00 0.00 35.95 39.22 1jsa h PHE 157 CO 0.00 -0.28 0.46 0.74 -2.02 0.00 0.00 178.31 177.22 1jsa h PHE 158 N -0.90 0.85 0.00 0.41 -1.00 -1.48 -3.46 116.94 111.36 1jsa h PHE 158 Ca -0.07 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1jsa h PHE 158 Cb 0.59 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 39.88 1jsa h PHE 158 CO 0.00 0.38 0.00 0.41 -1.61 0.00 0.00 178.31 177.49 1jsa n GLY 159 N -1.32 2.91 3.62 -1.45 0.00 -1.03 -5.02 105.19 102.91 1jsa n GLY 159 Ca 0.12 -0.79 -0.62 0.00 0.00 0.00 0.00 46.02 44.73 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 0.18 0.00 1.61 5.02 -1.26 -4.94 118.16 118.77 1jsa n LYS 160 Ca 0.00 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1jsa n LYS 160 Cb 0.00 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 1jsa n LYS 160 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1jsa n LYS 161 N 2.83 2.61 0.28 1.97 4.76 -1.26 -4.87 118.16 124.47 1jsa n LYS 161 Ca 0.25 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.54 1jsa n LYS 161 Cb 0.04 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.15 1jsa n LYS 161 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1jsa h ASP 162 N 0.00 -1.00 0.00 4.39 5.19 -2.03 -1.90 116.42 121.06 1jsa h ASP 162 Ca 0.00 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 1jsa h ASP 162 Cb 0.00 0.31 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 1jsa h ASP 162 CO 0.00 -0.54 0.01 0.47 -3.12 0.00 0.00 179.24 176.06 1jsa n ASP 163 N -4.74 2.80 -3.23 6.45 9.92 -1.26 -4.26 116.55 122.24 1jsa n ASP 163 Ca -0.10 -1.80 -0.02 0.00 -0.53 0.00 0.00 54.79 52.34 1jsa n ASP 163 Cb 0.37 -0.62 -0.02 0.00 -0.64 0.00 0.00 41.12 40.20 1jsa n ASP 163 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1jsa s ASP 164 N 2.10 -1.03 0.31 -2.24 1.01 -0.71 -5.15 116.67 110.96 1jsa s ASP 164 Ca 0.07 -0.71 -0.07 0.00 0.71 0.00 0.00 52.55 52.55 1jsa s ASP 164 Cb 0.03 1.72 -0.06 0.00 1.01 0.00 0.00 42.92 45.62 1jsa s ASP 164 CO 0.00 -0.22 0.62 -1.59 0.21 0.00 0.00 175.17 174.19 1jsa s LYS 165 N 2.00 3.71 -0.26 8.23 0.00 -1.26 -4.11 119.74 128.05 1jsa s LYS 165 Ca 0.15 0.19 -0.18 0.00 0.00 0.00 0.00 55.97 56.13 1jsa s LYS 165 Cb -0.07 -2.57 -0.03 0.00 0.00 0.00 0.00 37.83 35.16 1jsa s LYS 165 CO -0.11 0.16 0.53 -1.17 0.00 0.00 0.00 175.35 174.75 1jsa s LEU 166 N -3.51 4.06 0.40 2.77 2.96 -1.06 -4.92 118.68 119.39 1jsa s LEU 166 Ca 0.47 0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 54.89 1jsa s LEU 166 Cb -0.11 -2.69 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 1jsa s LEU 166 CO 0.29 -0.31 0.63 0.42 -1.32 0.00 0.00 176.35 176.06 1jsa s THR 167 N 2.34 4.83 0.41 3.68 -4.23 -1.26 -0.76 115.64 120.65 1jsa s THR 167 Ca 0.22 -0.31 0.14 0.00 -1.18 0.00 0.00 61.69 60.55 1jsa s THR 167 Cb -0.16 -3.78 0.34 0.00 1.34 0.00 0.00 72.50 70.24 1jsa s THR 167 CO 0.09 -0.58 1.92 -0.08 -0.54 0.00 0.00 174.62 175.43 1jsa h GLU 168 N 0.55 0.46 0.72 3.99 4.81 -1.98 1.54 114.58 124.69 1jsa h GLU 168 Ca -0.48 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.68 1jsa h GLU 168 Cb 1.22 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.51 1jsa h GLU 168 CO 0.61 0.31 -0.35 -0.22 -0.73 0.00 0.00 179.01 178.62 1jsa h LYS 169 N 0.48 -0.94 0.00 1.92 3.64 -1.93 -3.12 116.57 116.62 1jsa h LYS 169 Ca 0.37 0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.74 1jsa h LYS 169 Cb 0.76 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1jsa h LYS 169 CO -0.13 -0.63 -0.32 0.93 -2.27 0.00 0.00 179.45 177.04 1jsa h GLU 170 N -1.21 0.00 -0.72 1.90 5.08 -1.86 -2.70 114.58 115.07 1jsa h GLU 170 Ca -0.10 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.47 1jsa h GLU 170 Cb 0.75 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 1jsa h GLU 170 CO 0.16 0.32 0.68 0.35 -1.00 0.00 0.00 179.01 179.52 1jsa h PHE 171 N 0.00 0.00 0.00 4.33 3.57 0.23 1.02 116.94 126.09 1jsa h PHE 171 Ca -0.00 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.30 1jsa h PHE 171 Cb 0.73 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 1jsa h PHE 171 CO 0.00 0.00 -1.51 -0.89 -2.23 0.00 0.00 178.31 173.68 1jsa n ILE 172 N -3.78 1.25 -0.03 1.41 5.41 -1.02 -4.15 119.36 118.44 1jsa n ILE 172 Ca 0.15 -0.71 -0.12 0.00 1.00 0.00 0.00 62.75 63.06 1jsa n ILE 172 Cb 0.93 -0.77 -0.10 0.00 -0.71 0.00 0.00 39.64 38.99 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 0.00 -0.04 -1.20 0.38 5.08 0.87 -1.33 114.58 118.35 1jsa h GLU 173 Ca -0.19 0.00 0.35 0.00 -1.00 0.00 0.00 59.36 58.52 1jsa h GLU 173 Cb 1.67 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.88 1jsa h GLU 173 CO 0.05 0.67 1.04 0.78 -1.00 0.00 0.00 179.01 180.54 1jsa h GLY 174 N -0.86 0.00 0.67 -3.84 0.00 -0.84 2.34 103.07 100.53 1jsa h GLY 174 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.13 1jsa h GLY 174 CO 0.01 0.00 -1.69 -1.30 0.00 0.00 0.00 176.54 173.55 1jsa n THR 175 N -3.75 1.10 -0.13 4.70 -2.24 -1.20 -4.09 114.28 108.67 1jsa n THR 175 Ca 0.26 -0.71 -0.10 0.00 -2.27 0.00 0.00 64.05 61.24 1jsa n THR 175 Cb 1.42 -0.61 0.04 0.00 -2.10 0.00 0.00 70.33 69.07 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 0.92 0.00 3.22 5.85 0.51 -3.39 115.31 122.42 1jsa h LEU 176 Ca -0.22 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1jsa h LEU 176 Cb 1.66 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1jsa h LEU 176 CO 0.04 1.11 0.00 0.00 -0.34 0.00 0.00 178.44 179.25 1jsa n ALA 177 N -2.51 0.00 -1.61 1.25 0.00 -0.19 -4.73 120.51 112.71 1jsa n ALA 177 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 53.44 52.83 1jsa n ALA 177 Cb 0.46 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 0.78 0.01 0.00 5.03 -1.26 -4.81 115.26 115.01 1jsa n ASN 178 Ca 0.00 1.16 0.12 0.00 0.87 0.00 0.00 54.58 56.73 1jsa n ASN 178 Cb 0.00 -0.96 0.27 0.00 -1.02 0.00 0.00 39.78 38.08 1jsa n ASN 178 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1jsa n LYS 179 N 2.77 0.05 0.07 3.52 4.81 -1.26 -3.78 118.16 124.33 1jsa n LYS 179 Ca 0.24 0.01 0.10 0.00 -0.87 0.00 0.00 58.31 57.79 1jsa n LYS 179 Cb 0.05 -1.53 -0.05 0.00 0.02 0.00 0.00 35.03 33.52 1jsa n LYS 179 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1jsa n GLU 180 N -1.60 0.62 0.18 1.64 0.00 -1.26 -4.29 120.64 115.93 1jsa n GLU 180 Ca 0.05 0.06 -0.14 0.00 0.00 0.00 0.00 57.16 57.13 1jsa n GLU 180 Cb 0.35 -1.75 -0.08 0.00 0.00 0.00 0.00 31.44 29.96 1jsa n GLU 180 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1jsa h ILE 181 N 0.00 0.71 -0.04 6.31 2.04 -1.90 -2.34 117.51 122.29 1jsa h ILE 181 Ca -0.02 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.59 1jsa h ILE 181 Cb 1.07 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1jsa h ILE 181 CO 0.00 0.06 0.95 0.25 0.00 0.00 0.00 178.15 179.40 1jsa h LEU 182 N -0.56 0.00 0.00 1.44 5.85 -1.75 2.24 115.31 122.52 1jsa h LEU 182 Ca -0.04 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1jsa h LEU 182 Cb 0.41 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1jsa h LEU 182 CO 0.07 0.00 -0.45 -0.09 -0.34 0.00 0.00 178.44 177.63 1jsa h ARG 183 N 0.00 0.00 0.00 1.25 2.43 -1.66 -3.32 114.38 113.08 1jsa h ARG 183 Ca 0.02 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1jsa h ARG 183 Cb 1.91 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.45 1jsa h ARG 183 CO -0.00 0.30 -1.09 1.28 -1.51 0.00 0.00 179.97 178.95 1jsa n LEU 184 N -3.13 1.64 -0.55 3.80 4.77 0.75 -4.52 117.00 119.75 1jsa n LEU 184 Ca 0.02 0.27 0.45 0.00 -0.03 0.00 0.00 56.01 56.71 1jsa n LEU 184 Cb 0.67 -0.62 0.75 0.00 -2.33 0.00 0.00 43.42 41.89 1jsa n LEU 184 CO 0.39 -0.19 1.37 -0.29 -1.33 0.00 0.00 177.39 177.34 1jsa h ILE 185 N -0.73 0.11 -2.00 -0.08 -0.00 -1.54 -3.40 117.51 109.87 1jsa h ILE 185 Ca -0.14 -0.01 -0.63 0.00 -0.00 0.00 0.00 64.86 64.09 1jsa h ILE 185 Cb 0.92 0.07 0.05 0.00 -0.00 0.00 0.00 36.82 37.86 1jsa h ILE 185 CO -0.08 0.01 0.67 0.00 -0.00 0.00 0.00 178.15 178.75 1jsa n GLN 186 N -4.26 1.71 -0.00 2.19 -0.00 -1.25 -4.85 117.38 110.92 1jsa n GLN 186 Ca 0.39 0.62 0.04 0.00 -0.00 0.00 0.00 57.00 58.05 1jsa n GLN 186 Cb 1.69 -2.34 -0.06 0.00 -0.00 0.00 0.00 30.24 29.54 1jsa n GLN 186 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1jsa n PHE 187 N 3.25 0.00 0.00 2.61 -1.74 -1.26 -5.06 117.46 115.26 1jsa n PHE 187 Ca 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.07 1jsa n PHE 187 Cb 0.24 -0.14 0.00 0.00 1.52 0.00 0.00 39.48 41.10 1jsa n PHE 187 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59