#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5a n LEU 2 N 0.00 -0.67 -4.49 0.00 4.77 -1.26 -5.23 117.00 110.12 1s5a n LEU 2 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 1s5a n LEU 2 Cb 0.00 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 1s5a n LEU 2 CO 0.00 -0.61 -0.18 0.54 -1.33 0.00 0.00 177.39 175.81 1s5a s ASN 4 N -0.28 2.65 0.26 -1.43 2.20 -1.26 -5.12 114.94 111.96 1s5a s ASN 4 Ca 0.04 -1.69 -0.05 0.00 -0.94 0.00 0.00 52.86 50.22 1s5a s ASN 4 Cb 0.01 0.52 0.32 0.00 -2.00 0.00 0.00 41.25 40.10 1s5a s ASN 4 CO 0.07 -0.95 1.94 -0.08 -2.94 0.00 0.00 177.10 175.14 1s5a h GLU 5 N 1.83 1.25 -0.63 3.55 4.57 -1.99 -1.33 114.58 121.84 1s5a h GLU 5 Ca -0.34 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 57.76 1s5a h GLU 5 Cb 1.27 -0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 29.55 1s5a h GLU 5 CO 0.54 0.83 0.36 0.35 -1.18 0.00 0.00 179.01 179.91 1s5a h PHE 6 N 1.29 0.84 -0.42 0.92 3.57 -1.99 0.49 116.94 121.64 1s5a h PHE 6 Ca 0.36 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.77 1s5a h PHE 6 Cb -0.13 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.32 1s5a h PHE 6 CO -0.00 0.58 -0.06 0.93 -2.23 0.00 0.00 178.31 177.53 1s5a h GLU 7 N 0.85 0.72 -0.39 1.11 5.08 -1.88 -1.29 114.58 118.77 1s5a h GLU 7 Ca 0.22 -0.21 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1s5a h GLU 7 Cb 0.00 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1s5a h GLU 7 CO -0.04 0.77 -0.24 0.87 -1.00 0.00 0.00 179.01 179.38 1s5a h LYS 8 N 0.66 0.78 -0.40 2.33 1.57 -0.72 -1.84 116.57 118.95 1s5a h LYS 8 Ca 0.12 -0.32 -0.11 0.00 -1.87 0.00 0.00 60.65 58.47 1s5a h LYS 8 Cb 0.50 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1s5a h LYS 8 CO 0.03 0.94 -0.17 0.00 -0.57 0.00 0.00 179.45 179.67 1s5a h ALA 9 N 1.05 0.56 -0.49 3.86 0.00 -0.47 -0.79 119.26 122.97 1s5a h ALA 9 Ca 0.09 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1s5a h ALA 9 Cb 0.75 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1s5a h ALA 9 CO 0.06 0.49 0.03 0.00 0.00 0.00 0.00 179.25 179.83 1s5a h GLU 11 N 0.76 0.78 -0.38 0.00 4.57 -1.13 -0.86 114.58 118.32 1s5a h GLU 11 Ca 0.15 -0.31 -0.10 0.00 -1.18 0.00 0.00 59.36 57.92 1s5a h GLU 11 Cb 0.42 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1s5a h GLU 11 CO 0.01 0.93 -0.17 1.15 -1.18 0.00 0.00 179.01 179.75 1s5a h THR 12 N 0.68 1.26 -0.42 0.32 2.02 -0.58 -1.46 112.91 114.73 1s5a h THR 12 Ca 0.10 -1.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.02 1s5a h THR 12 Cb 0.73 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 1s5a h THR 12 CO 0.06 0.41 0.14 0.25 0.37 0.00 0.00 175.52 176.74 1s5a h LEU 13 N 0.63 0.61 -0.50 2.58 5.85 -0.14 0.63 115.31 124.97 1s5a h LEU 13 Ca 0.10 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1s5a h LEU 13 Cb 0.63 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1s5a h LEU 13 CO 0.04 0.65 0.30 -0.09 -0.34 0.00 0.00 178.44 179.01 1s5a h ARG 14 N 0.54 0.59 -0.32 1.25 2.43 -0.91 -2.61 114.38 115.35 1s5a h ARG 14 Ca 0.14 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 1s5a h ARG 14 Cb 0.26 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1s5a h ARG 14 CO -0.01 0.39 -0.23 0.87 -1.51 0.00 0.00 179.97 179.49 1s5a h LYS 15 N 0.61 0.63 0.00 0.20 1.57 -1.06 0.43 116.57 118.95 1s5a h LYS 15 Ca 0.20 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1s5a h LYS 15 Cb 0.01 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1s5a h LYS 15 CO -0.09 0.81 0.00 0.34 -0.57 0.00 0.00 179.45 179.94 1s5a n PHE 16 N -4.12 0.00 0.00 -1.35 7.35 0.19 -0.17 117.46 119.36 1s5a n PHE 16 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1s5a n PHE 16 Cb 0.41 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.24 1s5a n PHE 16 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1s5a n ALA 18 N -0.09 0.00 0.04 3.13 0.00 0.14 -4.72 120.51 119.01 1s5a n ALA 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1s5a n ALA 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1s5a n ALA 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1s5a n TYR 19 N 0.00 0.00 0.00 0.00 4.01 0.76 -1.32 117.16 120.61 1s5a n TYR 19 Ca 0.00 -0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1s5a n TYR 19 Cb 0.00 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 38.79 1s5a n TYR 19 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1s5a n LEU 21 N 1.43 0.00 0.00 7.72 4.77 -1.26 -1.43 117.00 128.22 1s5a n LEU 21 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 1s5a n LEU 21 Cb 0.14 0.00 0.84 0.00 -2.33 0.00 0.00 43.42 42.07 1s5a n LEU 21 CO 0.00 0.00 1.06 -0.62 -1.33 0.00 0.00 177.39 176.50 1s5a n GLU 22 N 0.00 0.67 -1.69 3.23 1.02 -0.43 -4.89 120.64 118.55 1s5a n GLU 22 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 1s5a n GLU 22 Cb 0.00 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.84 1s5a n GLU 22 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1s5a n LYS 23 N -1.16 -1.44 -3.41 3.49 5.02 -0.55 -5.16 118.16 114.95 1s5a n LYS 23 Ca 0.18 1.19 -0.30 0.00 -2.02 0.00 0.00 58.31 57.35 1s5a n LYS 23 Cb 0.18 -5.58 -0.04 0.00 -0.02 0.00 0.00 35.03 29.57 1s5a n LYS 23 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1s5a s ASP 24 N -2.70 6.53 0.00 4.39 -1.08 -0.52 -4.96 116.67 118.34 1s5a s ASP 24 Ca 0.00 0.80 0.00 0.00 -0.52 0.00 0.00 52.55 52.83 1s5a s ASP 24 Cb 0.00 -2.18 0.00 0.00 -1.46 0.00 0.00 42.92 39.28 1s5a s ASP 24 CO 0.00 -0.11 0.00 0.29 0.52 0.00 0.00 175.17 175.87 1s5a n LYS 26 N -0.46 0.00 0.07 4.34 5.02 -1.26 -2.04 118.16 123.83 1s5a n LYS 26 Ca -0.01 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.21 1s5a n LYS 26 Cb 0.53 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.61 1s5a n LYS 26 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1s5a h SER 27 N 0.00 0.37 -0.55 4.39 0.02 -1.97 -2.71 113.55 113.09 1s5a h SER 27 Ca 0.00 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1s5a h SER 27 Cb 0.00 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1s5a h SER 27 CO 0.00 0.93 0.32 -0.25 -1.14 0.00 0.00 176.83 176.69 1s5a h TRP 28 N 0.23 0.74 -0.14 3.45 7.01 -1.76 -2.66 115.95 122.82 1s5a h TRP 28 Ca -0.02 -0.01 -0.08 0.00 2.11 0.00 0.00 58.89 60.90 1s5a h TRP 28 Cb 1.20 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 28.01 1s5a h TRP 28 CO 0.03 0.53 -0.25 1.15 -2.79 0.00 0.00 178.44 177.10 1s5a h THR 29 N 0.74 1.24 0.00 2.65 2.02 -1.81 -2.64 112.91 115.11 1s5a h THR 29 Ca 0.20 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.26 1s5a h THR 29 Cb 0.01 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1s5a h THR 29 CO -0.03 0.34 0.00 -0.33 0.37 0.00 0.00 175.52 175.87 1s5a h GLU 30 N 0.23 0.00 0.00 6.66 4.39 -1.15 -1.32 114.58 123.38 1s5a h GLU 30 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1s5a h GLU 30 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1s5a h GLU 30 CO 0.04 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.17 1s5a n LEU 31 N -2.77 0.62 -4.88 1.33 4.77 -1.00 -4.84 117.00 110.23 1s5a n LEU 31 Ca -0.02 0.60 -0.34 0.00 -0.03 0.00 0.00 56.01 56.22 1s5a n LEU 31 Cb 0.06 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 40.64 1s5a n LEU 31 CO 0.16 -0.34 0.02 0.26 -1.33 0.00 0.00 177.39 176.16 1s5a s TRP 32 N -3.18 3.56 0.52 -1.77 0.52 -0.50 -1.11 118.94 116.98 1s5a s TRP 32 Ca 0.08 0.67 -0.20 0.00 0.02 0.00 0.00 56.10 56.66 1s5a s TRP 32 Cb 0.11 -2.07 -0.07 0.00 -1.15 0.00 0.00 33.47 30.30 1s5a s TRP 32 CO 0.48 0.54 1.12 0.34 0.02 0.00 0.00 176.95 179.44 1s5a s ASP 33 N -1.87 5.91 0.42 2.95 2.15 0.14 -4.78 116.67 121.59 1s5a s ASP 33 Ca 0.33 2.16 0.20 0.00 0.43 0.00 0.00 52.55 55.67 1s5a s ASP 33 Cb -0.13 -2.58 1.13 0.00 -0.30 0.00 0.00 42.92 41.04 1s5a s ASP 33 CO 0.19 -1.09 1.80 -0.08 -0.17 0.00 0.00 175.17 175.82 1s5a h GLU 34 N 1.43 0.35 -0.37 4.34 4.57 -1.97 -1.65 114.58 121.28 1s5a h GLU 34 Ca -0.50 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 57.51 1s5a h GLU 34 Cb 1.25 -0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 29.67 1s5a h GLU 34 CO 0.58 0.23 0.00 0.09 -1.18 0.00 0.00 179.01 178.74 1s5a n ASN 35 N -4.55 3.02 -4.71 1.04 3.02 -1.26 -1.42 115.26 110.39 1s5a n ASN 35 Ca 0.23 -3.53 -0.33 0.00 -0.03 0.00 0.00 54.58 50.93 1s5a n ASN 35 Cb 0.85 -0.62 0.12 0.00 -0.61 0.00 0.00 39.78 39.51 1s5a n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s5a s ALA 36 N -3.12 1.92 -0.12 5.41 0.00 -0.62 -4.47 121.76 120.76 1s5a s ALA 36 Ca 0.45 0.69 0.01 0.00 0.00 0.00 0.00 51.96 53.11 1s5a s ALA 36 Cb 0.39 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 1s5a s ALA 36 CO 0.03 -2.16 -0.17 0.08 0.00 0.00 0.00 175.76 173.55 1s5a s VAL 37 N -2.34 2.71 -0.20 0.00 1.01 -0.47 -1.11 120.40 119.99 1s5a s VAL 37 Ca 0.70 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 1s5a s VAL 37 Cb -0.25 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.03 1s5a s VAL 37 CO 0.51 0.53 -0.12 0.12 0.00 0.00 0.00 175.10 176.14 1s5a s PHE 38 N 0.39 2.89 0.06 5.22 5.36 0.01 -0.89 117.98 131.03 1s5a s PHE 38 Ca -0.13 -1.36 0.08 0.00 -0.96 0.00 0.00 56.93 54.57 1s5a s PHE 38 Cb -0.16 -2.01 -0.03 0.00 -0.34 0.00 0.00 43.02 40.47 1s5a s PHE 38 CO 0.06 -0.70 -0.22 -1.21 -1.46 0.00 0.00 175.22 171.70 1s5a s GLU 39 N 1.37 1.88 -0.50 10.12 2.02 0.50 -0.54 118.70 133.55 1s5a s GLU 39 Ca 0.05 -1.09 0.03 0.00 0.02 0.00 0.00 54.97 53.98 1s5a s GLU 39 Cb -0.14 -2.08 0.15 0.00 0.10 0.00 0.00 34.13 32.16 1s5a s GLU 39 CO -0.08 0.51 0.31 -0.06 0.02 0.00 0.00 175.26 175.96 1s5a s PHE 40 N -0.93 2.29 0.42 1.61 0.08 -0.23 -0.35 117.98 120.87 1s5a s PHE 40 Ca 0.14 -2.66 0.20 0.00 0.12 0.00 0.00 56.93 54.73 1s5a s PHE 40 Cb -0.10 -2.00 1.15 0.00 -0.57 0.00 0.00 43.02 41.50 1s5a s PHE 40 CO 0.05 -0.74 1.80 -1.35 -0.10 0.00 0.00 175.22 174.88 1s5a h PRO 41 N 6.29 0.34 -0.30 0.24 0.11 -1.81 -2.06 132.00 134.80 1s5a h PRO 41 Ca 0.05 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 1s5a h PRO 41 Cb 0.89 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 1s5a h PRO 41 CO 0.53 0.23 0.00 0.66 -0.21 0.00 0.00 178.00 179.21 1s5a n TYR 42 N -4.55 1.10 -2.00 0.65 4.01 -1.26 -5.00 117.16 110.10 1s5a n TYR 42 Ca 0.24 -0.88 -0.41 0.00 -0.16 0.00 0.00 57.90 56.68 1s5a n TYR 42 Cb 0.87 -0.35 -0.02 0.00 -0.31 0.00 0.00 39.34 39.53 1s5a n TYR 42 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s5a s ALA 43 N -2.84 3.65 0.91 -0.72 0.00 -0.78 -4.64 121.76 117.34 1s5a s ALA 43 Ca 0.44 1.33 -0.14 0.00 0.00 0.00 0.00 51.96 53.59 1s5a s ALA 43 Cb 0.35 -3.57 0.17 0.00 0.00 0.00 0.00 23.12 20.07 1s5a s ALA 43 CO 0.10 -0.75 1.27 -1.25 0.00 0.00 0.00 175.76 175.13 1s5a s PRO 44 N -0.14 1.02 0.30 0.00 0.04 -1.26 -4.92 135.00 130.04 1s5a s PRO 44 Ca 0.61 -0.29 -0.30 0.00 0.04 0.00 0.00 61.00 61.06 1s5a s PRO 44 Cb -0.42 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.12 1s5a s PRO 44 CO 0.41 -2.17 1.59 -2.00 0.04 0.00 0.00 177.00 174.88 1s5a s GLU 45 N -5.79 4.11 0.00 4.56 2.56 -1.26 -1.70 118.70 121.19 1s5a s GLU 45 Ca 0.71 2.59 0.00 0.00 0.00 0.00 0.00 54.97 58.27 1s5a s GLU 45 Cb -0.06 -3.01 0.00 0.00 2.00 0.00 0.00 34.13 33.06 1s5a s GLU 45 CO 0.52 -0.64 0.00 0.41 -0.56 0.00 0.00 175.26 174.99 1s5a n GLY 46 N 2.03 3.38 3.78 -1.50 0.00 -1.26 -5.05 105.19 106.57 1s5a n GLY 46 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1s5a n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s5a s SER 47 N -0.86 5.61 0.48 1.61 0.01 -0.69 -5.04 113.70 114.83 1s5a s SER 47 Ca 0.00 0.10 -0.23 0.00 1.31 0.00 0.00 55.95 57.13 1s5a s SER 47 Cb 0.00 -1.58 -0.07 0.00 0.21 0.00 0.00 66.02 64.59 1s5a s SER 47 CO 0.00 0.24 1.24 -2.16 0.41 0.00 0.00 173.24 172.97 1s5a s PRO 48 N -1.92 3.57 -0.01 12.44 0.04 -1.26 -4.74 135.00 143.13 1s5a s PRO 48 Ca 0.25 1.96 0.10 0.00 0.04 0.00 0.00 61.00 63.34 1s5a s PRO 48 Cb -0.12 -2.38 -0.12 0.00 0.04 0.00 0.00 34.50 31.91 1s5a s PRO 48 CO 0.16 -0.76 0.33 1.63 0.04 0.00 0.00 177.00 178.40 1s5a n LYS 49 N -0.62 2.43 -3.66 4.56 5.02 -1.26 -4.69 118.16 119.94 1s5a n LYS 49 Ca 0.08 -0.04 -0.08 0.00 -2.02 0.00 0.00 58.31 56.25 1s5a n LYS 49 Cb 0.47 -1.06 -0.08 0.00 -0.02 0.00 0.00 35.03 34.33 1s5a n LYS 49 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1s5a s ARG 50 N -2.21 0.62 -0.03 1.97 3.52 -1.26 -1.07 118.95 120.48 1s5a s ARG 50 Ca 0.01 1.08 0.04 0.00 -0.13 0.00 0.00 55.73 56.73 1s5a s ARG 50 Cb 0.07 0.11 -0.00 0.00 -1.56 0.00 0.00 34.95 33.56 1s5a s ARG 50 CO 0.40 -0.15 -0.15 0.42 -0.81 0.00 0.00 175.30 175.01 1s5a s ILE 51 N 1.49 1.26 -0.04 4.11 1.01 0.30 -5.00 121.20 124.34 1s5a s ILE 51 Ca -0.09 -0.63 0.05 0.00 0.00 0.00 0.00 60.65 59.97 1s5a s ILE 51 Cb -0.06 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.32 1s5a s ILE 51 CO -0.17 0.37 -0.17 -1.61 0.00 0.00 0.00 174.94 173.36 1s5a s GLU 52 N 0.00 1.71 0.00 2.79 2.02 -1.26 -0.81 118.70 123.15 1s5a s GLU 52 Ca -0.02 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.36 1s5a s GLU 52 Cb -0.10 -1.52 0.00 0.00 0.10 0.00 0.00 34.13 32.61 1s5a s GLU 52 CO 0.01 0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.97 1s5a n GLY 53 N 3.05 0.20 0.26 -1.39 0.00 -0.27 -4.47 105.19 102.56 1s5a n GLY 53 Ca -0.17 -1.36 0.04 0.00 0.00 0.00 0.00 46.02 44.52 1s5a n GLY 53 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s5a h LYS 54 N 0.00 0.30 -0.41 1.61 3.64 -1.41 -0.97 116.57 119.33 1s5a h LYS 54 Ca 0.00 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1s5a h LYS 54 Cb 0.00 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.70 1s5a h LYS 54 CO 0.00 0.20 0.10 0.00 -2.27 0.00 0.00 179.45 177.48 1s5a h ALA 55 N 1.55 0.45 -0.45 5.00 0.00 -1.89 0.19 119.26 124.12 1s5a h ALA 55 Ca 0.38 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.28 1s5a h ALA 55 Cb 0.61 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1s5a h ALA 55 CO -0.45 -0.30 -0.07 0.00 0.00 0.00 0.00 179.25 178.43 1s5a h ALA 56 N 1.29 1.04 -0.50 0.00 0.00 -1.59 -1.09 119.26 118.41 1s5a h ALA 56 Ca 0.19 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1s5a h ALA 56 Cb 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1s5a h ALA 56 CO -0.24 0.59 0.01 0.82 0.00 0.00 0.00 179.25 180.43 1s5a h ILE 57 N 0.71 1.26 -0.46 0.00 2.04 -0.28 -0.92 117.51 119.86 1s5a h ILE 57 Ca 0.13 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 1s5a h ILE 57 Cb 0.53 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1s5a h ILE 57 CO 0.03 0.37 0.19 0.22 0.00 0.00 0.00 178.15 178.96 1s5a h TYR 58 N 0.74 0.69 -0.68 1.37 3.20 -0.42 -1.15 116.97 120.72 1s5a h TYR 58 Ca 0.14 -0.05 0.07 0.00 3.14 0.00 0.00 58.73 62.03 1s5a h TYR 58 Cb 0.50 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.50 1s5a h TYR 58 CO 0.04 0.58 0.37 0.22 -1.64 0.00 0.00 178.16 177.73 1s5a h ASP 59 N 0.60 0.53 -0.40 -2.11 -0.00 -0.95 0.33 116.42 114.41 1s5a h ASP 59 Ca 0.15 0.04 -0.04 0.00 -0.00 0.00 0.00 57.03 57.18 1s5a h ASP 59 Cb 0.18 -0.06 -0.02 0.00 -0.00 0.00 0.00 39.33 39.43 1s5a h ASP 59 CO -0.01 0.33 0.08 0.22 -0.00 0.00 0.00 179.24 179.86 1s5a h TYR 60 N 0.66 0.69 0.00 0.28 3.20 -0.85 -3.34 116.97 117.62 1s5a h TYR 60 Ca 0.31 -0.09 -0.11 0.00 3.14 0.00 0.00 58.73 61.98 1s5a h TYR 60 Cb 0.24 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1s5a h TYR 60 CO -0.09 0.68 -1.13 0.97 -1.64 0.00 0.00 178.16 176.95 1s5a h ILE 61 N 0.51 0.42 -0.95 1.81 6.09 -0.61 -3.40 117.51 121.39 1s5a h ILE 61 Ca 0.12 -1.77 0.27 0.00 -1.37 0.00 0.00 64.86 62.12 1s5a h ILE 61 Cb 0.34 1.97 -0.14 0.00 0.47 0.00 0.00 36.82 39.47 1s5a h ILE 61 CO 0.00 0.24 0.45 0.07 -3.07 0.00 0.00 178.15 175.85 1s5a h LYS 62 N 0.00 0.34 -0.01 2.19 2.10 -0.48 0.17 116.57 120.88 1s5a h LYS 62 Ca -0.10 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1s5a h LYS 62 Cb 1.40 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1s5a h LYS 62 CO 0.04 0.22 -0.09 -0.25 -2.00 0.00 0.00 179.45 177.37 1s5a n ASP 63 N -5.07 0.87 -0.14 7.07 8.00 -1.26 -4.43 116.55 121.60 1s5a n ASP 63 Ca 0.26 -1.01 -0.06 0.00 0.71 0.00 0.00 54.79 54.69 1s5a n ASP 63 Cb 0.81 0.01 0.01 0.00 -0.02 0.00 0.00 41.12 41.92 1s5a n ASP 63 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1s5a h TYR 64 N 1.23 -0.71 0.00 1.24 3.20 -0.89 -1.00 116.97 120.03 1s5a h TYR 64 Ca 0.00 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1s5a h TYR 64 Cb 0.39 0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.04 1s5a h TYR 64 CO 0.00 -0.34 0.00 -1.35 -1.64 0.00 0.00 178.16 174.83 1s5a h PRO 65 N -0.18 0.00 0.00 1.82 0.11 -1.77 0.38 132.00 132.36 1s5a h PRO 65 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1s5a h PRO 65 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1s5a h PRO 65 CO -0.55 0.00 -0.10 -0.22 -0.21 0.00 0.00 178.00 176.92 1s5a h LYS 66 N 0.00 0.00 0.00 1.05 3.64 -1.48 -3.37 116.57 116.41 1s5a h LYS 66 Ca 0.00 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 1s5a h LYS 66 Cb 0.19 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1s5a h LYS 66 CO 0.00 0.00 -1.86 1.04 -2.27 0.00 0.00 179.45 176.36 1s5a n GLN 67 N -2.63 0.73 -5.00 1.90 6.02 -0.54 -4.78 117.38 113.09 1s5a n GLN 67 Ca 0.04 0.07 -0.30 0.00 -0.01 0.00 0.00 57.00 56.80 1s5a n GLN 67 Cb 0.48 -1.31 -0.17 0.00 1.02 0.00 0.00 30.24 30.27 1s5a n GLN 67 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1s5a s ILE 68 N -2.30 1.78 -0.32 5.09 1.01 0.01 -0.31 121.20 126.17 1s5a s ILE 68 Ca -0.17 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.51 1s5a s ILE 68 Cb 0.05 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 1s5a s ILE 68 CO 0.38 0.50 0.19 -2.28 0.00 0.00 0.00 174.94 173.73 1s5a s HIS 69 N 0.46 3.20 -0.24 3.97 5.65 0.70 -4.30 115.29 124.74 1s5a s HIS 69 Ca -0.17 -0.35 -0.15 0.00 0.25 0.00 0.00 55.06 54.64 1s5a s HIS 69 Cb -0.17 -2.40 -0.04 0.00 -1.18 0.00 0.00 32.58 28.79 1s5a s HIS 69 CO 0.07 -0.38 0.35 -0.51 -0.65 0.00 0.00 174.74 173.62 1s5a s LEU 70 N 1.67 4.10 -0.07 8.88 1.43 -1.26 -0.66 118.68 132.76 1s5a s LEU 70 Ca 0.05 0.35 0.17 0.00 -1.03 0.00 0.00 54.13 53.68 1s5a s LEU 70 Cb -0.17 -2.41 -0.23 0.00 0.03 0.00 0.00 46.19 43.41 1s5a s LEU 70 CO 0.08 -0.10 0.45 -1.54 0.23 0.00 0.00 176.35 175.47 1s5a n SER 71 N 4.81 0.40 -3.66 2.29 3.41 0.68 -4.80 113.62 116.76 1s5a n SER 71 Ca -0.09 0.18 -0.04 0.00 -0.26 0.00 0.00 58.87 58.66 1s5a n SER 71 Cb 0.51 0.70 -0.01 0.00 -0.26 0.00 0.00 64.21 65.15 1s5a n SER 71 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1s5a s SER 72 N -5.55 -0.22 0.06 4.04 1.04 -1.12 -4.99 113.70 106.97 1s5a s SER 72 Ca -0.07 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.16 1s5a s SER 72 Cb 0.08 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 1s5a s SER 72 CO 0.83 -0.73 -0.13 -0.36 0.98 0.00 0.00 173.24 173.84 1s5a s PHE 73 N -3.11 1.10 0.80 5.02 0.08 -1.26 -1.66 117.98 118.95 1s5a s PHE 73 Ca 0.10 -0.44 -0.12 0.00 0.12 0.00 0.00 56.93 56.59 1s5a s PHE 73 Cb -0.01 -0.63 0.07 0.00 -0.57 0.00 0.00 43.02 41.89 1s5a s PHE 73 CO -0.02 0.03 1.17 0.95 -0.10 0.00 0.00 175.22 177.25 1s5a s THR 74 N -1.20 2.12 0.38 0.64 -4.23 -0.13 -4.99 115.64 108.24 1s5a s THR 74 Ca -0.03 0.03 -0.26 0.00 -1.18 0.00 0.00 61.69 60.25 1s5a s THR 74 Cb -0.09 -3.04 -0.09 0.00 1.34 0.00 0.00 72.50 70.62 1s5a s THR 74 CO 0.02 -0.05 1.19 0.00 -0.54 0.00 0.00 174.62 175.23 1s5a s ALA 75 N -3.55 3.21 0.68 3.99 0.00 -1.26 -4.67 121.76 120.16 1s5a s ALA 75 Ca 0.62 1.01 -0.10 0.00 0.00 0.00 0.00 51.96 53.49 1s5a s ALA 75 Cb -0.11 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.64 1s5a s ALA 75 CO 0.49 -0.53 1.05 -1.25 0.00 0.00 0.00 175.76 175.51 1s5a s PRO 76 N -2.18 2.80 -0.19 0.00 0.04 -1.26 -4.83 135.00 129.38 1s5a s PRO 76 Ca 0.55 0.29 -0.01 0.00 0.04 0.00 0.00 61.00 61.88 1s5a s PRO 76 Cb -0.32 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.14 1s5a s PRO 76 CO 0.41 -0.98 -0.15 0.99 0.04 0.00 0.00 177.00 177.31 1s5a s THR 77 N -3.27 2.54 0.04 1.26 2.01 -0.24 -4.96 115.64 113.02 1s5a s THR 77 Ca 0.57 -0.78 0.07 0.00 0.31 0.00 0.00 61.69 61.86 1s5a s THR 77 Cb -0.11 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 1s5a s THR 77 CO 0.50 0.50 -0.19 0.68 -0.69 0.00 0.00 174.62 175.41 1s5a s VAL 78 N 1.28 2.70 -0.12 3.82 -7.23 -1.26 -0.57 120.40 119.01 1s5a s VAL 78 Ca 0.04 -1.23 0.02 0.00 -1.81 0.00 0.00 61.98 59.00 1s5a s VAL 78 Cb -0.14 -2.13 0.01 0.00 0.56 0.00 0.00 36.38 34.68 1s5a s VAL 78 CO -0.08 0.33 -0.19 -0.31 -0.31 0.00 0.00 175.10 174.54 1s5a s TYR 79 N -0.92 2.35 -0.29 2.82 2.02 0.13 -4.96 117.35 118.49 1s5a s TYR 79 Ca 0.14 -1.13 -0.18 0.00 -0.37 0.00 0.00 57.07 55.53 1s5a s TYR 79 Cb -0.10 -1.63 -0.02 0.00 -0.40 0.00 0.00 41.96 39.81 1s5a s TYR 79 CO 0.05 -0.53 0.53 0.50 -1.57 0.00 0.00 175.55 174.53 1s5a s ARG 80 N 0.83 3.96 0.07 -0.62 3.52 -1.26 -0.87 118.95 124.58 1s5a s ARG 80 Ca -0.08 0.22 -0.31 0.00 -0.13 0.00 0.00 55.73 55.43 1s5a s ARG 80 Cb -0.16 -3.69 -0.07 0.00 -1.56 0.00 0.00 34.95 29.47 1s5a s ARG 80 CO -0.01 -0.44 1.43 0.45 -0.81 0.00 0.00 175.30 175.92 1s5a s SER 81 N 1.61 6.80 0.20 -2.12 0.15 -0.49 -4.90 113.70 114.95 1s5a s SER 81 Ca 0.21 2.28 0.07 0.00 0.70 0.00 0.00 55.95 59.21 1s5a s SER 81 Cb -0.15 -2.57 0.11 0.00 -1.71 0.00 0.00 66.02 61.69 1s5a s SER 81 CO 0.10 -0.71 1.46 0.00 1.20 0.00 0.00 173.24 175.30 1s5a h ALA 82 N 7.36 0.70 -0.11 5.45 0.00 -1.96 -3.34 119.26 127.36 1s5a h ALA 82 Ca -0.41 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 53.81 1s5a h ALA 82 Cb 1.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1s5a h ALA 82 CO 0.89 0.93 0.00 -0.25 0.00 0.00 0.00 179.25 180.82 1s5a n ASP 83 N -3.65 2.45 -3.95 0.00 8.00 -1.26 -5.01 116.55 113.12 1s5a n ASP 83 Ca -0.01 -1.70 -0.09 0.00 0.71 0.00 0.00 54.79 53.70 1s5a n ASP 83 Cb 0.75 -0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 41.71 1s5a n ASP 83 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1s5a s SER 84 N -1.20 0.18 -1.44 -2.24 1.04 -1.25 -5.05 113.70 103.74 1s5a s SER 84 Ca 0.20 -0.82 -0.12 0.00 0.48 0.00 0.00 55.95 55.69 1s5a s SER 84 Cb 0.13 0.33 0.05 0.00 0.10 0.00 0.00 66.02 66.64 1s5a s SER 84 CO 0.19 -0.75 2.29 -3.20 0.98 0.00 0.00 173.24 172.76 1s5a n ASN 85 N -0.07 5.23 -3.90 7.02 5.15 -1.26 -4.51 115.26 122.92 1s5a n ASN 85 Ca -0.12 -2.87 -0.11 0.00 -0.60 0.00 0.00 54.58 50.88 1s5a n ASN 85 Cb 0.62 -1.59 -0.11 0.00 -0.53 0.00 0.00 39.78 38.18 1s5a n ASN 85 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1s5a s THR 86 N 2.16 0.07 -0.03 -0.44 2.01 -1.26 -4.22 115.64 113.93 1s5a s THR 86 Ca 0.50 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.98 1s5a s THR 86 Cb 0.14 -0.29 -0.00 0.00 0.01 0.00 0.00 72.50 72.36 1s5a s THR 86 CO -0.07 -0.30 -0.12 -0.69 -0.69 0.00 0.00 174.62 172.75 1s5a s VAL 87 N -0.98 0.98 -0.13 3.82 1.01 -0.21 -1.39 120.40 123.50 1s5a s VAL 87 Ca -0.11 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 1s5a s VAL 87 Cb -0.06 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 1s5a s VAL 87 CO 0.00 0.29 -0.10 -0.63 0.00 0.00 0.00 175.10 174.67 1s5a s ILE 88 N 0.08 3.36 -0.04 2.22 1.09 -0.05 -0.38 121.20 127.48 1s5a s ILE 88 Ca -0.02 -0.56 0.03 0.00 -1.10 0.00 0.00 60.65 59.00 1s5a s ILE 88 Cb -0.09 -2.42 0.01 0.00 -1.06 0.00 0.00 42.46 38.89 1s5a s ILE 88 CO 0.01 0.53 -0.11 0.00 -0.10 0.00 0.00 174.94 175.26 1s5a s ALA 89 N 0.19 1.10 -0.09 9.38 0.00 -0.01 0.17 121.76 132.50 1s5a s ALA 89 Ca -0.06 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.51 1s5a s ALA 89 Cb -0.15 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1s5a s ALA 89 CO 0.04 0.15 -0.12 -1.21 0.00 0.00 0.00 175.76 174.62 1s5a s GLU 90 N 0.34 2.93 0.10 0.00 2.02 0.26 -0.63 118.70 123.72 1s5a s GLU 90 Ca -0.07 -0.66 -0.26 0.00 0.02 0.00 0.00 54.97 54.00 1s5a s GLU 90 Cb -0.12 -2.53 0.08 0.00 0.10 0.00 0.00 34.13 31.66 1s5a s GLU 90 CO 0.02 0.46 0.83 -0.59 0.02 0.00 0.00 175.26 175.99 1s5a s PHE 91 N -0.28 -0.32 0.13 1.61 -0.12 -0.84 -1.08 117.98 117.08 1s5a s PHE 91 Ca 0.02 0.10 0.05 0.00 -0.05 0.00 0.00 56.93 57.05 1s5a s PHE 91 Cb -0.13 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 1s5a s PHE 91 CO 0.03 -0.75 -0.12 -0.65 -0.05 0.00 0.00 175.22 173.68 1s5a s GLN 92 N -3.38 1.02 0.35 1.99 -0.21 -1.26 -0.34 119.66 117.83 1s5a s GLN 92 Ca 0.06 -1.33 0.06 0.00 0.02 0.00 0.00 55.36 54.18 1s5a s GLN 92 Cb -0.02 -0.72 -0.07 0.00 1.00 0.00 0.00 33.01 33.21 1s5a s GLN 92 CO -0.06 0.11 0.00 0.00 -2.12 0.00 0.00 175.29 173.23 1s5a s ASP 94 N -3.58 1.30 0.00 0.00 -1.08 -0.66 -3.33 116.67 109.32 1s5a s ASP 94 Ca 0.34 -0.70 0.00 0.00 -0.52 0.00 0.00 52.55 51.67 1s5a s ASP 94 Cb 0.08 0.01 0.00 0.00 -1.46 0.00 0.00 42.92 41.55 1s5a s ASP 94 CO 0.16 -0.22 0.00 0.61 0.52 0.00 0.00 175.17 176.24 1s5a n GLY 95 N 0.95 -0.37 3.39 2.66 0.00 -1.02 -0.23 105.19 110.57 1s5a n GLY 95 Ca -0.19 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 1s5a n GLY 95 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1s5a s HIS 96 N -3.57 -0.35 -0.10 1.61 -3.43 0.17 -0.61 115.29 109.01 1s5a s HIS 96 Ca 0.00 0.07 -0.23 0.00 -0.80 0.00 0.00 55.06 54.10 1s5a s HIS 96 Cb 0.00 0.41 -0.03 0.00 -1.43 0.00 0.00 32.58 31.53 1s5a s HIS 96 CO 0.00 -0.80 0.70 0.08 -2.00 0.00 0.00 174.74 172.72 1s5a s VAL 97 N -3.79 5.03 0.10 -5.38 1.01 0.28 -0.21 120.40 117.44 1s5a s VAL 97 Ca 0.03 1.41 -0.18 0.00 0.00 0.00 0.00 61.98 63.24 1s5a s VAL 97 Cb 0.00 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 1s5a s VAL 97 CO -0.11 0.21 1.61 0.40 0.00 0.00 0.00 175.10 177.21 1s5a h ILE 98 N 4.86 1.21 -0.64 2.22 2.04 -0.97 0.38 117.51 126.60 1s5a h ILE 98 Ca -0.39 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 64.80 1s5a h ILE 98 Cb 1.18 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 1s5a h ILE 98 CO 0.77 0.22 0.38 -0.33 0.00 0.00 0.00 178.15 179.19 1s5a h GLU 99 N 0.28 0.87 0.00 2.37 5.08 -1.87 -3.22 114.58 118.10 1s5a h GLU 99 Ca 0.09 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1s5a h GLU 99 Cb 0.26 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1s5a h GLU 99 CO -0.00 0.63 -1.55 0.25 -1.00 0.00 0.00 179.01 177.34 1s5a n THR 100 N -4.58 0.60 -0.94 1.13 -2.24 -1.22 -4.97 114.28 102.07 1s5a n THR 100 Ca 0.05 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1s5a n THR 100 Cb 0.06 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 1s5a n THR 100 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s5a n GLY 101 N 1.30 0.61 3.79 3.38 0.00 0.13 -5.01 105.19 109.40 1s5a n GLY 101 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1s5a n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s5a s LEU 102 N 0.00 4.06 0.60 0.99 1.43 -1.23 -4.73 118.68 119.81 1s5a s LEU 102 Ca 0.00 1.90 -0.20 0.00 -1.03 0.00 0.00 54.13 54.81 1s5a s LEU 102 Cb 0.00 -4.32 -0.03 0.00 0.03 0.00 0.00 46.19 41.87 1s5a s LEU 102 CO 0.00 -0.45 1.31 -2.16 0.23 0.00 0.00 176.35 175.28 1s5a s PRO 103 N -2.74 2.85 -0.37 1.29 0.04 -1.26 -0.55 135.00 134.26 1s5a s PRO 103 Ca 0.60 2.12 0.01 0.00 0.04 0.00 0.00 61.00 63.76 1s5a s PRO 103 Cb -0.17 -2.04 0.12 0.00 0.04 0.00 0.00 34.50 32.45 1s5a s PRO 103 CO 0.22 -1.38 0.16 -0.47 0.04 0.00 0.00 177.00 175.57 1s5a s TYR 104 N -1.37 1.93 -0.54 0.56 5.04 0.22 -4.67 117.35 118.51 1s5a s TYR 104 Ca 0.77 -2.11 0.00 0.00 -2.44 0.00 0.00 57.07 53.29 1s5a s TYR 104 Cb -0.38 -1.85 0.14 0.00 0.35 0.00 0.00 41.96 40.22 1s5a s TYR 104 CO 0.43 -0.84 0.31 1.03 -1.34 0.00 0.00 175.55 175.14 1s5a s ARG 105 N 1.01 2.19 0.16 4.97 0.52 -1.26 -2.44 118.95 124.10 1s5a s ARG 105 Ca 0.14 -2.43 -0.05 0.00 -0.52 0.00 0.00 55.73 52.87 1s5a s ARG 105 Cb -0.21 -3.52 -0.06 0.00 0.52 0.00 0.00 34.95 31.69 1s5a s ARG 105 CO -0.12 -1.12 0.40 -1.14 0.02 0.00 0.00 175.30 173.34 1s5a s GLN 106 N 0.07 3.62 -0.16 3.54 2.00 -1.21 -4.92 119.66 122.61 1s5a s GLN 106 Ca 0.15 -0.08 0.02 0.00 -2.00 0.00 0.00 55.36 53.45 1s5a s GLN 106 Cb -0.22 -2.82 0.02 0.00 0.80 0.00 0.00 33.01 30.78 1s5a s GLN 106 CO -0.03 0.44 -0.21 -1.12 -0.50 0.00 0.00 175.29 173.88 1s5a s SER 107 N -2.51 3.12 0.09 6.67 0.01 -1.26 -1.69 113.70 118.13 1s5a s SER 107 Ca 0.41 -0.63 0.06 0.00 1.31 0.00 0.00 55.95 57.11 1s5a s SER 107 Cb -0.12 -1.46 -0.04 0.00 0.21 0.00 0.00 66.02 64.61 1s5a s SER 107 CO 0.25 0.04 -0.08 -0.31 0.41 0.00 0.00 173.24 173.54 1s5a s TYR 108 N 1.08 2.79 -0.09 2.43 2.02 0.53 -3.93 117.35 122.19 1s5a s TYR 108 Ca -0.00 -0.12 -0.03 0.00 -0.37 0.00 0.00 57.07 56.54 1s5a s TYR 108 Cb -0.14 -1.47 0.04 0.00 -0.40 0.00 0.00 41.96 39.99 1s5a s TYR 108 CO -0.08 0.42 0.09 -1.50 -1.57 0.00 0.00 175.55 172.91 1s5a s ILE 109 N -1.19 -0.14 0.00 2.71 2.07 -0.92 -1.99 121.20 121.75 1s5a s ILE 109 Ca 0.21 0.25 0.06 0.00 -1.41 0.00 0.00 60.65 59.76 1s5a s ILE 109 Cb -0.11 -0.30 -0.03 0.00 0.13 0.00 0.00 42.46 42.15 1s5a s ILE 109 CO 0.13 0.04 -0.18 -0.44 -1.91 0.00 0.00 174.94 172.59 1s5a s SER 110 N 2.19 3.76 -0.25 4.50 0.01 0.20 -1.73 113.70 122.38 1s5a s SER 110 Ca 0.04 -0.35 -0.02 0.00 1.31 0.00 0.00 55.95 56.93 1s5a s SER 110 Cb -0.13 -0.65 0.03 0.00 0.21 0.00 0.00 66.02 65.47 1s5a s SER 110 CO -0.05 0.30 -0.05 -0.69 0.41 0.00 0.00 173.24 173.15 1s5a s VAL 111 N -0.81 2.92 -0.08 3.43 1.01 -0.47 -0.83 120.40 125.57 1s5a s VAL 111 Ca 0.13 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1s5a s VAL 111 Cb -0.10 -2.49 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 1s5a s VAL 111 CO 0.03 0.19 -0.23 -0.63 0.00 0.00 0.00 175.10 174.46 1s5a s ILE 112 N 1.33 1.92 -0.13 2.22 1.01 0.49 -0.69 121.20 127.35 1s5a s ILE 112 Ca 0.00 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.70 1s5a s ILE 112 Cb -0.17 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 1s5a s ILE 112 CO -0.04 0.53 -0.16 -1.61 0.00 0.00 0.00 174.94 173.66 1s5a s GLU 113 N 0.18 3.29 0.19 2.79 2.02 0.24 -1.05 118.70 126.36 1s5a s GLU 113 Ca -0.12 -0.74 0.08 0.00 0.02 0.00 0.00 54.97 54.21 1s5a s GLU 113 Cb -0.16 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 1s5a s GLU 113 CO 0.06 0.19 -0.15 0.95 0.02 0.00 0.00 175.26 176.33 1s5a s THR 114 N 0.40 1.73 -0.15 3.63 -4.23 -1.26 -0.74 115.64 115.02 1s5a s THR 114 Ca -0.12 -2.11 -0.04 0.00 -1.18 0.00 0.00 61.69 58.23 1s5a s THR 114 Cb -0.16 -1.96 0.05 0.00 1.34 0.00 0.00 72.50 71.77 1s5a s THR 114 CO 0.06 -0.52 0.08 -0.60 -0.54 0.00 0.00 174.62 173.10 1s5a s ARG 115 N -3.39 0.06 -1.58 3.99 3.00 0.08 -4.75 118.95 116.36 1s5a s ARG 115 Ca 0.20 -0.00 -0.02 0.00 -1.00 0.00 0.00 55.73 54.90 1s5a s ARG 115 Cb -0.02 -1.59 0.00 0.00 0.00 0.00 0.00 34.95 33.34 1s5a s ARG 115 CO 0.07 -0.60 0.32 -3.47 0.00 0.00 0.00 175.30 171.62 1s5a n ASP 116 N 5.27 -5.83 0.00 -2.12 2.03 -1.26 -1.00 116.55 113.65 1s5a n ASP 116 Ca -0.06 -0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.09 1s5a n ASP 116 Cb 0.49 -4.74 0.00 0.00 -0.72 0.00 0.00 41.12 36.15 1s5a n ASP 116 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1s5a n GLY 117 N -1.28 2.90 3.72 0.27 0.00 -1.26 -5.01 105.19 104.54 1s5a n GLY 117 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1s5a n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s5a s ARG 118 N -0.15 4.49 -0.22 1.61 0.52 -0.17 -4.79 118.95 120.25 1s5a s ARG 118 Ca 0.00 1.76 -0.29 0.00 -0.52 0.00 0.00 55.73 56.68 1s5a s ARG 118 Cb 0.00 -3.31 -0.02 0.00 0.52 0.00 0.00 34.95 32.14 1s5a s ARG 118 CO 0.00 -0.13 1.42 0.42 0.02 0.00 0.00 175.30 177.03 1s5a s ILE 119 N 0.50 3.99 -0.09 1.52 1.01 -0.27 -0.74 121.20 127.12 1s5a s ILE 119 Ca 0.55 1.15 0.17 0.00 0.00 0.00 0.00 60.65 62.52 1s5a s ILE 119 Cb -0.30 -3.92 -0.25 0.00 0.01 0.00 0.00 42.46 38.01 1s5a s ILE 119 CO 0.32 -0.29 0.24 0.52 0.00 0.00 0.00 174.94 175.73 1s5a n VAL 120 N 5.97 0.55 -3.70 2.92 0.31 0.08 -0.69 118.33 123.78 1s5a n VAL 120 Ca 0.16 -0.56 -0.11 0.00 -0.01 0.00 0.00 64.34 63.81 1s5a n VAL 120 Cb 0.45 -0.22 -0.10 0.00 -0.91 0.00 0.00 33.84 33.07 1s5a n VAL 120 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1s5a s ARG 121 N -2.87 0.47 -0.12 5.55 3.52 -1.09 -1.36 118.95 123.05 1s5a s ARG 121 Ca -0.08 0.75 -0.03 0.00 -0.13 0.00 0.00 55.73 56.24 1s5a s ARG 121 Cb 0.09 0.10 0.05 0.00 -1.56 0.00 0.00 34.95 33.63 1s5a s ARG 121 CO 0.73 -0.12 0.07 -0.47 -0.81 0.00 0.00 175.30 174.71 1s5a s TYR 122 N 0.93 0.24 -0.37 5.12 5.04 -0.06 -0.59 117.35 127.65 1s5a s TYR 122 Ca -0.06 -0.12 -0.10 0.00 -2.44 0.00 0.00 57.07 54.35 1s5a s TYR 122 Cb -0.06 -0.64 0.03 0.00 0.35 0.00 0.00 41.96 41.64 1s5a s TYR 122 CO -0.08 -0.38 0.20 0.50 -1.34 0.00 0.00 175.55 174.45 1s5a s ARG 123 N 2.12 2.81 -0.73 4.97 3.52 0.13 -0.37 118.95 131.40 1s5a s ARG 123 Ca 0.03 -1.09 -0.14 0.00 -0.13 0.00 0.00 55.73 54.40 1s5a s ARG 123 Cb -0.14 -3.70 0.19 0.00 -1.56 0.00 0.00 34.95 29.73 1s5a s ARG 123 CO -0.06 -0.69 0.67 0.34 -0.81 0.00 0.00 175.30 174.75 1s5a s ASP 124 N 1.54 6.54 -0.06 -2.12 2.15 0.52 -1.37 116.67 123.87 1s5a s ASP 124 Ca 0.02 -2.43 -0.23 0.00 0.43 0.00 0.00 52.55 50.34 1s5a s ASP 124 Cb -0.19 -2.20 -0.04 0.00 -0.30 0.00 0.00 42.92 40.19 1s5a s ASP 124 CO 0.06 -0.65 0.69 -0.31 -0.17 0.00 0.00 175.17 174.79 1s5a s TYR 125 N 0.59 3.59 0.13 -5.34 2.02 -0.70 -4.21 117.35 113.42 1s5a s TYR 125 Ca 0.13 1.24 -0.08 0.00 -0.37 0.00 0.00 57.07 58.00 1s5a s TYR 125 Cb -0.16 -2.78 -0.01 0.00 -0.40 0.00 0.00 41.96 38.60 1s5a s TYR 125 CO -0.05 0.11 0.22 1.67 -1.57 0.00 0.00 175.55 175.93 1s5a s TRP 126 N 0.69 0.38 -0.47 2.71 1.48 -1.26 -2.17 118.94 120.30 1s5a s TRP 126 Ca 0.37 -0.77 -0.28 0.00 -1.06 0.00 0.00 56.10 54.36 1s5a s TRP 126 Cb -0.18 -0.11 0.03 0.00 -1.16 0.00 0.00 33.47 32.05 1s5a s TRP 126 CO 0.18 -0.63 1.05 1.21 -4.06 0.00 0.00 176.95 174.70 1s5a s ASN 127 N -2.94 6.58 0.56 -2.66 3.84 -1.25 -4.78 114.94 114.28 1s5a s ASN 127 Ca 0.14 0.32 0.34 0.00 0.21 0.00 0.00 52.86 53.86 1s5a s ASN 127 Cb 0.04 -2.51 1.57 0.00 -0.55 0.00 0.00 41.25 39.80 1s5a s ASN 127 CO -0.03 -1.17 2.07 1.55 -2.79 0.00 0.00 177.10 176.73 1s5a h PRO 128 N 9.17 0.00 -0.17 0.43 0.13 -1.98 -2.33 132.00 137.24 1s5a h PRO 128 Ca -0.23 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.73 1s5a h PRO 128 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1s5a h PRO 128 CO 1.09 0.05 -0.59 1.25 -0.23 0.00 0.00 178.00 179.57 1s5a h LEU 129 N 0.00 0.65 -0.75 1.56 5.85 -1.95 0.15 115.31 120.82 1s5a h LEU 129 Ca -0.00 -0.36 -0.11 0.00 0.84 0.00 0.00 57.88 58.25 1s5a h LEU 129 Cb 0.39 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1s5a h LEU 129 CO 0.01 1.09 -0.23 0.58 -0.34 0.00 0.00 178.44 179.55 1s5a h VAL 130 N 0.43 1.27 -0.06 1.05 2.07 -1.83 -1.29 116.25 117.89 1s5a h VAL 130 Ca -0.00 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 1s5a h VAL 130 Cb 1.15 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1s5a h VAL 130 CO 0.11 0.44 -0.04 0.58 0.02 0.00 0.00 177.57 178.68 1s5a h VAL 131 N 0.61 1.34 -0.33 2.57 2.07 -1.29 -2.08 116.25 119.15 1s5a h VAL 131 Ca 0.09 -1.11 0.04 0.00 0.82 0.00 0.00 66.70 66.54 1s5a h VAL 131 Cb 0.72 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 1s5a h VAL 131 CO 0.06 0.30 0.10 0.50 0.02 0.00 0.00 177.57 178.55 1s5a h LYS 132 N -0.27 0.23 -0.56 1.57 3.64 -0.54 -1.16 116.57 119.49 1s5a h LYS 132 Ca 0.01 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1s5a h LYS 132 Cb 0.51 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1s5a h LYS 132 CO 0.01 0.15 0.20 1.49 -2.27 0.00 0.00 179.45 179.03 1s5a h GLU 133 N 0.24 0.86 0.00 1.90 4.81 -1.27 0.25 114.58 121.36 1s5a h GLU 133 Ca 0.15 -0.17 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1s5a h GLU 133 Cb 0.13 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1s5a h GLU 133 CO -0.16 0.76 -0.28 0.00 -0.73 0.00 0.00 179.01 178.61 1s5a h ALA 134 N 1.05 1.40 -0.45 2.92 0.00 -1.07 -1.79 119.26 121.32 1s5a h ALA 134 Ca 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1s5a h ALA 134 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1s5a h ALA 134 CO -0.01 0.35 0.00 1.19 0.00 0.00 0.00 179.25 180.78 1s5a n PHE 135 N -4.00 0.88 -2.72 0.00 3.72 -0.46 -4.49 117.46 110.39 1s5a n PHE 135 Ca -0.02 -0.37 -0.21 0.00 -0.05 0.00 0.00 57.45 56.80 1s5a n PHE 135 Cb 0.34 -0.12 0.01 0.00 -0.94 0.00 0.00 39.48 38.78 1s5a n PHE 135 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s5a n GLY 136 N 1.00 -0.49 0.00 1.37 0.00 -0.67 -2.08 105.19 104.31 1s5a n GLY 136 Ca 0.17 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1s5a n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s5a n GLY 137 N -1.28 2.55 0.00 -0.02 0.00 0.84 -5.02 105.19 102.26 1s5a n GLY 137 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1s5a n GLY 137 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s5a n SER 138 N 0.00 0.00 -3.73 1.61 2.88 -0.88 -4.98 113.62 108.52 1s5a n SER 138 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1s5a n SER 138 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1s5a n SER 138 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1s5a s PHE 139 N 1.20 -0.29 0.12 0.66 5.36 -1.26 -4.32 117.98 119.45 1s5a s PHE 139 Ca 0.00 -0.09 -0.31 0.00 -0.96 0.00 0.00 56.93 55.57 1s5a s PHE 139 Cb 0.00 0.66 -0.10 0.00 -0.34 0.00 0.00 43.02 43.24 1s5a s PHE 139 CO 0.00 -1.11 1.79 -1.17 -1.46 0.00 0.00 175.22 173.28 1s5a s LEU 140 N -2.87 4.39 -0.13 6.12 2.96 -1.26 -4.98 118.68 122.92 1s5a s LEU 140 Ca 0.08 2.73 -0.02 0.00 -0.22 0.00 0.00 54.13 56.70 1s5a s LEU 140 Cb -0.04 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 1s5a s LEU 140 CO 0.01 -0.98 -0.06 -1.10 -1.32 0.00 0.00 176.35 172.89 1s5a s GLN 141 N 2.60 3.36 0.00 1.98 -0.21 -1.26 -4.99 119.66 121.13 1s5a s GLN 141 Ca 0.79 -0.55 0.00 0.00 0.02 0.00 0.00 55.36 55.62 1s5a s GLN 141 Cb -0.45 -2.78 0.00 0.00 1.00 0.00 0.00 33.01 30.78 1s5a s GLN 141 CO 0.35 0.37 0.16 0.25 -2.12 0.00 0.00 175.29 174.29