#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lce n ILE 22 N 0.00 1.44 -4.24 0.44 3.06 -1.26 -4.78 119.36 114.03 3lce n ILE 22 Ca 0.00 -0.36 -0.26 0.00 -2.50 0.00 0.00 62.75 59.63 3lce n ILE 22 Cb 0.00 -1.84 -0.08 0.00 0.54 0.00 0.00 39.64 38.26 3lce n ILE 22 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3lce s THR 23 N -0.50 3.57 -0.12 9.51 -4.23 -0.25 -4.98 115.64 118.64 3lce s THR 23 Ca 0.60 -1.53 -0.13 0.00 -1.18 0.00 0.00 61.69 59.45 3lce s THR 23 Cb -0.52 -2.80 -0.05 0.00 1.34 0.00 0.00 72.50 70.47 3lce s THR 23 CO 0.55 -0.14 0.30 -0.70 -0.54 0.00 0.00 174.62 174.09 3lce s GLU 24 N -3.01 4.06 -0.28 3.99 2.12 -1.26 -0.84 118.70 123.48 3lce s GLU 24 Ca 0.27 0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.74 3lce s GLU 24 Cb -0.09 -3.34 0.05 0.00 0.26 0.00 0.00 34.13 31.01 3lce s GLU 24 CO 0.18 0.42 -0.06 1.21 -0.54 0.00 0.00 175.26 176.47 3lce s ASN 25 N -0.10 4.61 0.27 -1.70 3.84 0.26 -4.87 114.94 117.26 3lce s ASN 25 Ca 0.18 -1.29 0.15 0.00 0.21 0.00 0.00 52.86 52.11 3lce s ASN 25 Cb -0.14 -1.63 0.05 0.00 -0.55 0.00 0.00 41.25 38.99 3lce s ASN 25 CO 0.06 -0.21 1.44 0.71 -2.79 0.00 0.00 177.10 176.30 3lce h THR 26 N 6.57 0.89 -0.05 -5.21 1.35 -1.86 -2.67 112.91 111.92 3lce h THR 26 Ca -0.22 -2.26 0.01 0.00 -0.55 0.00 0.00 66.41 63.40 3lce h THR 26 Cb 1.06 2.44 -0.00 0.00 -1.73 0.00 0.00 68.15 69.91 3lce h THR 26 CO 0.51 0.51 0.07 0.77 -0.25 0.00 0.00 175.52 177.12 3lce h SER 27 N 0.00 0.00 0.36 5.36 4.64 -1.95 -0.13 113.55 121.83 3lce h SER 27 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3lce h SER 27 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 3lce h SER 27 CO 0.07 0.00 0.00 0.79 -0.87 0.00 0.00 176.83 176.82 3lce n TRP 28 N -3.70 0.00 1.33 4.77 7.02 -1.01 -1.96 117.44 123.90 3lce n TRP 28 Ca -0.02 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.59 3lce n TRP 28 Cb 0.16 -0.27 0.69 0.00 -2.42 0.00 0.00 31.31 29.46 3lce n TRP 28 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3lce n ASN 29 N -1.27 0.00 0.03 -0.99 3.02 -0.06 -4.24 115.26 111.75 3lce n ASN 29 Ca 0.10 -0.24 -0.10 0.00 -0.03 0.00 0.00 54.58 54.30 3lce n ASN 29 Cb 0.16 -0.23 -0.04 0.00 -0.61 0.00 0.00 39.78 39.06 3lce n ASN 29 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3lce h LYS 30 N 0.00 -0.24 0.00 3.52 3.64 -1.60 -1.12 116.57 120.77 3lce h LYS 30 Ca 0.00 0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 3lce h LYS 30 Cb 0.20 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3lce h LYS 30 CO 0.00 -0.16 -0.55 0.93 -2.27 0.00 0.00 179.45 177.40 3lce h GLU 31 N -0.25 0.00 -0.23 1.90 4.39 -1.85 -2.11 114.58 116.43 3lce h GLU 31 Ca 0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 3lce h GLU 31 Cb 0.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3lce h GLU 31 CO -0.19 0.55 0.10 0.74 -1.16 0.00 0.00 179.01 179.05 3lce h PHE 32 N 0.00 0.34 -0.46 4.33 0.04 -1.70 -2.93 116.94 116.56 3lce h PHE 32 Ca -0.01 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 3lce h PHE 32 Cb 1.14 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 39.16 3lce h PHE 32 CO 0.00 0.36 0.22 1.03 -0.60 0.00 0.00 178.31 179.32 3lce h SER 33 N 0.22 0.61 -0.46 2.17 0.87 -1.11 0.92 113.55 116.78 3lce h SER 33 Ca 0.08 -0.13 0.09 0.00 -1.23 0.00 0.00 61.79 60.60 3lce h SER 33 Cb 0.15 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3lce h SER 33 CO -0.01 0.56 0.31 0.00 -0.53 0.00 0.00 176.83 177.17 3lce h ALA 34 N 1.07 2.16 -0.16 6.23 0.00 -1.33 -1.94 119.26 125.29 3lce h ALA 34 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3lce h ALA 34 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3lce h ALA 34 CO -0.02 -0.27 0.00 0.39 0.00 0.00 0.00 179.25 179.35 3lce n GLU 35 N -4.45 1.90 -3.48 0.00 -0.58 -1.07 -4.98 120.64 107.98 3lce n GLU 35 Ca 0.07 -1.82 -0.19 0.00 -0.42 0.00 0.00 57.16 54.80 3lce n GLU 35 Cb 0.38 -1.38 0.08 0.00 -0.57 0.00 0.00 31.44 29.95 3lce n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3lce n ALA 36 N 1.10 -1.91 -2.46 0.62 0.00 0.15 -5.00 120.51 113.02 3lce n ALA 36 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 3lce n ALA 36 Cb 0.49 -2.87 -0.12 0.00 0.00 0.00 0.00 19.45 16.95 3lce n ALA 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3lce s VAL 37 N -3.38 2.72 -0.25 0.00 -7.23 -0.23 -5.03 120.40 107.01 3lce s VAL 37 Ca 0.10 -1.36 -0.12 0.00 -1.81 0.00 0.00 61.98 58.79 3lce s VAL 37 Cb -0.04 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.67 3lce s VAL 37 CO 0.74 0.24 0.22 0.20 -0.31 0.00 0.00 175.10 176.18 3lce s ASN 38 N -1.72 6.14 0.05 4.85 0.01 -1.26 -4.58 114.94 118.44 3lce s ASN 38 Ca 0.16 0.15 -0.23 0.00 -0.71 0.00 0.00 52.86 52.23 3lce s ASN 38 Cb -0.10 -2.14 0.08 0.00 0.41 0.00 0.00 41.25 39.50 3lce s ASN 38 CO 0.07 -0.01 1.05 0.61 -1.51 0.00 0.00 177.10 177.31 3lce n GLY 39 N 4.49 0.42 3.06 0.66 0.00 -1.26 -0.94 105.19 111.63 3lce n GLY 39 Ca -0.13 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 3lce n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lce s VAL 40 N -2.06 0.07 -0.08 1.61 0.11 0.14 -4.88 120.40 115.31 3lce s VAL 40 Ca 0.24 -0.61 0.03 0.00 -2.93 0.00 0.00 61.98 58.71 3lce s VAL 40 Cb -0.01 -0.35 0.01 0.00 -1.53 0.00 0.00 36.38 34.49 3lce s VAL 40 CO 0.02 -0.34 -0.18 0.12 -3.33 0.00 0.00 175.10 171.39 3lce s PHE 41 N -1.14 1.97 -0.10 1.54 5.36 -1.26 -1.58 117.98 122.77 3lce s PHE 41 Ca -0.12 -0.77 0.03 0.00 -0.96 0.00 0.00 56.93 55.10 3lce s PHE 41 Cb -0.07 -1.37 -0.01 0.00 -0.34 0.00 0.00 43.02 41.23 3lce s PHE 41 CO 0.01 -0.34 -0.19 0.08 -1.46 0.00 0.00 175.22 173.32 3lce s VAL 42 N 0.51 2.58 -0.03 3.12 1.01 0.54 -3.21 120.40 124.93 3lce s VAL 42 Ca -0.17 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 3lce s VAL 42 Cb -0.17 -2.02 0.03 0.00 0.00 0.00 0.00 36.38 34.22 3lce s VAL 42 CO 0.06 0.55 0.05 -0.22 0.00 0.00 0.00 175.10 175.54 3lce s LEU 43 N 0.12 0.95 -0.09 3.92 2.96 -0.49 -1.50 118.68 124.55 3lce s LEU 43 Ca -0.09 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 3lce s LEU 43 Cb -0.15 -0.00 0.02 0.00 0.50 0.00 0.00 46.19 46.55 3lce s LEU 43 CO 0.06 -0.14 -0.11 0.00 -1.32 0.00 0.00 176.35 174.84 3lce s LYS 45 N 1.19 4.28 0.00 0.00 2.20 -0.95 -0.73 119.74 125.73 3lce s LYS 45 Ca -0.04 0.46 0.00 0.00 -0.36 0.00 0.00 55.97 56.03 3lce s LYS 45 Cb -0.14 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 3lce s LYS 45 CO -0.03 0.25 0.00 0.43 -0.36 0.00 0.00 175.35 175.64 3lce n SER 46 N 3.34 0.00 -3.82 1.43 7.64 0.13 -4.60 113.62 117.73 3lce n SER 46 Ca -0.08 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.73 3lce n SER 46 Cb 0.52 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 3lce n SER 46 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3lce s SER 47 N 0.00 -0.25 0.00 6.43 1.04 -1.26 -4.87 113.70 114.79 3lce s SER 47 Ca 0.00 -0.63 0.24 0.00 0.48 0.00 0.00 55.95 56.04 3lce s SER 47 Cb 0.00 0.73 1.42 0.00 0.10 0.00 0.00 66.02 68.27 3lce s SER 47 CO 0.00 -1.35 1.85 -1.54 0.98 0.00 0.00 173.24 173.18 3lce n SER 48 N -0.50 0.00 -0.05 7.02 3.41 -1.26 -2.44 113.62 119.80 3lce n SER 48 Ca -0.04 -1.04 0.16 0.00 -0.26 0.00 0.00 58.87 57.68 3lce n SER 48 Cb 0.59 0.00 0.87 0.00 -0.26 0.00 0.00 64.21 65.41 3lce n SER 48 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3lce n LYS 49 N -0.92 0.97 -3.37 4.33 4.76 -1.26 -4.32 118.16 118.35 3lce n LYS 49 Ca 0.18 -0.10 -0.26 0.00 -2.87 0.00 0.00 58.31 55.26 3lce n LYS 49 Cb 0.08 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.69 3lce n LYS 49 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3lce n SER 50 N -0.93 0.96 -4.49 4.39 2.88 -1.02 -2.97 113.62 112.44 3lce n SER 50 Ca 0.22 -2.80 -0.30 0.00 -1.33 0.00 0.00 58.87 54.66 3lce n SER 50 Cb 0.16 -0.63 -0.11 0.00 -0.75 0.00 0.00 64.21 62.87 3lce n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3lce s ALA 52 N -1.11 1.45 0.08 0.00 0.00 0.25 -1.09 121.76 121.34 3lce s ALA 52 Ca 0.18 -1.52 -0.18 0.00 0.00 0.00 0.00 51.96 50.44 3lce s ALA 52 Cb -0.11 0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.19 3lce s ALA 52 CO 0.09 -0.14 0.42 -0.08 0.00 0.00 0.00 175.76 176.06 3lce s THR 53 N -3.38 0.06 -0.50 0.00 -1.32 -0.02 -1.40 115.64 109.08 3lce s THR 53 Ca 0.18 -0.47 0.26 0.00 -1.21 0.00 0.00 61.69 60.45 3lce s THR 53 Cb 0.03 -1.03 0.30 0.00 -1.51 0.00 0.00 72.50 70.29 3lce s THR 53 CO 0.01 -0.26 1.76 -0.55 -2.21 0.00 0.00 174.62 173.37 3lce h ASN 54 N 2.73 0.00 -1.48 8.08 -1.07 -1.70 0.75 115.58 122.88 3lce h ASN 54 Ca -0.32 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 55.97 3lce h ASN 54 Cb 1.23 0.00 -0.26 0.00 -2.07 0.00 0.00 38.32 37.22 3lce h ASN 54 CO 0.44 0.00 -0.43 -0.62 0.07 0.00 0.00 177.43 176.89 3lce s ASP 55 N -4.84 -0.41 0.30 6.14 3.68 -1.26 -4.70 116.67 115.58 3lce s ASP 55 Ca 0.07 0.20 0.02 0.00 2.13 0.00 0.00 52.55 54.96 3lce s ASP 55 Cb 0.10 1.51 0.47 0.00 -1.45 0.00 0.00 42.92 43.54 3lce s ASP 55 CO 0.54 -0.31 1.79 -0.07 0.13 0.00 0.00 175.17 177.25 3lce h LEU 56 N 8.10 0.57 -0.19 -1.34 3.38 -1.93 -1.97 115.31 121.93 3lce h LEU 56 Ca -0.14 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 3lce h LEU 56 Cb 1.15 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3lce h LEU 56 CO 0.25 0.69 -0.05 0.00 0.09 0.00 0.00 178.44 179.42 3lce h ALA 57 N 1.37 0.27 0.00 1.53 0.00 -2.01 -3.10 119.26 117.32 3lce h ALA 57 Ca 0.11 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3lce h ALA 57 Cb 0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3lce h ALA 57 CO 0.02 0.05 -0.27 -0.09 0.00 0.00 0.00 179.25 178.96 3lce h ARG 58 N 0.09 0.00 -0.13 0.00 2.43 -1.90 -3.10 114.38 111.77 3lce h ARG 58 Ca 0.05 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3lce h ARG 58 Cb 0.50 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3lce h ARG 58 CO 0.02 0.27 -0.07 0.00 -1.51 0.00 0.00 179.97 178.68 3lce h ALA 59 N 1.73 1.65 -0.37 2.80 0.00 -1.28 -0.79 119.26 123.00 3lce h ALA 59 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3lce h ALA 59 Cb 0.68 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3lce h ALA 59 CO 0.03 0.26 0.00 -1.13 0.00 0.00 0.00 179.25 178.42 3lce n SER 60 N -4.35 3.34 -4.76 0.00 3.41 -1.17 -1.89 113.62 108.19 3lce n SER 60 Ca -0.01 -1.96 -0.39 0.00 -0.26 0.00 0.00 58.87 56.25 3lce n SER 60 Cb 0.21 -0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 63.86 3lce n SER 60 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3lce s LYS 61 N -1.40 4.76 -0.15 4.33 2.20 -0.30 -4.78 119.74 124.40 3lce s LYS 61 Ca 0.36 1.45 -0.06 0.00 -0.36 0.00 0.00 55.97 57.36 3lce s LYS 61 Cb 0.21 -3.12 -0.04 0.00 -1.51 0.00 0.00 37.83 33.37 3lce s LYS 61 CO 0.29 0.42 0.06 -1.21 -0.36 0.00 0.00 175.35 174.56 3lce s GLU 62 N -1.48 3.65 0.22 4.03 2.02 -1.26 -3.98 118.70 121.91 3lce s GLU 62 Ca 0.44 -0.32 0.05 0.00 0.02 0.00 0.00 54.97 55.17 3lce s GLU 62 Cb -0.24 -3.11 -0.05 0.00 0.10 0.00 0.00 34.13 30.83 3lce s GLU 62 CO 0.30 0.46 -0.07 0.71 0.02 0.00 0.00 175.26 176.69 3lce s TYR 63 N -0.17 1.63 0.32 1.61 2.02 0.15 -4.65 117.35 118.25 3lce s TYR 63 Ca 0.07 -0.76 -0.28 0.00 -0.37 0.00 0.00 57.07 55.73 3lce s TYR 63 Cb -0.12 -0.88 -0.13 0.00 -0.40 0.00 0.00 41.96 40.43 3lce s TYR 63 CO 0.01 0.15 1.27 1.28 -1.57 0.00 0.00 175.55 176.70 3lce n LEU 64 N -0.41 3.27 0.15 -1.29 4.77 -1.26 -0.86 117.00 121.38 3lce n LEU 64 Ca -0.07 1.19 0.13 0.00 -0.03 0.00 0.00 56.01 57.23 3lce n LEU 64 Cb 0.62 -1.45 0.29 0.00 -2.33 0.00 0.00 43.42 40.55 3lce n LEU 64 CO 0.36 -0.59 0.81 1.55 -1.33 0.00 0.00 177.39 178.18 3lce h PRO 65 N 2.74 0.00 0.00 3.23 0.13 -1.75 -3.46 132.00 132.89 3lce h PRO 65 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3lce h PRO 65 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3lce h PRO 65 CO 0.64 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.41 3lce n ALA 66 N -1.92 0.00 0.48 -0.56 0.00 -0.42 -1.83 120.51 116.26 3lce n ALA 66 Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.54 3lce n ALA 66 Cb 0.47 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.19 3lce n ALA 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3lce n SER 67 N -1.82 0.00 0.23 0.00 7.64 -1.26 -1.04 113.62 117.37 3lce n SER 67 Ca 0.00 0.25 0.16 0.00 1.01 0.00 0.00 58.87 60.29 3lce n SER 67 Cb 0.00 -0.35 0.74 0.00 -1.01 0.00 0.00 64.21 63.58 3lce n SER 67 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3lce h THR 68 N 0.00 0.00 0.00 0.44 1.35 -1.40 -3.41 112.91 109.90 3lce h THR 68 Ca 0.00 -0.22 -0.36 0.00 -0.55 0.00 0.00 66.41 65.28 3lce h THR 68 Cb 0.13 1.05 0.02 0.00 -1.73 0.00 0.00 68.15 67.62 3lce h THR 68 CO 0.00 0.00 2.21 0.33 -0.25 0.00 0.00 175.52 177.81 3lce n PHE 69 N -2.69 1.14 0.00 4.73 7.35 -0.21 -4.45 117.46 123.34 3lce n PHE 69 Ca -0.00 -1.61 0.00 0.00 -0.76 0.00 0.00 57.45 55.08 3lce n PHE 69 Cb 0.18 -1.44 0.00 0.00 0.35 0.00 0.00 39.48 38.57 3lce n PHE 69 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3lce n ILE 71 N 4.78 0.00 0.19 -2.13 5.41 -1.26 -1.27 119.36 125.08 3lce n ILE 71 Ca 0.37 0.00 0.04 0.00 1.00 0.00 0.00 62.75 64.16 3lce n ILE 71 Cb 0.17 0.00 0.43 0.00 -0.71 0.00 0.00 39.64 39.52 3lce n ILE 71 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3lce h PRO 72 N 0.00 0.04 -0.35 0.38 0.13 -1.98 -2.53 132.00 127.69 3lce h PRO 72 Ca 0.00 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.15 3lce h PRO 72 Cb 0.00 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.09 3lce h PRO 72 CO 0.00 0.29 0.15 -0.97 -0.23 0.00 0.00 178.00 177.23 3lce h ASN 73 N 0.04 0.19 -0.22 1.44 -1.24 -1.54 0.97 115.58 115.22 3lce h ASN 73 Ca 0.00 0.03 0.04 0.00 0.71 0.00 0.00 56.30 57.08 3lce h ASN 73 Cb 0.46 -0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.47 3lce h ASN 73 CO 0.03 0.15 -0.03 0.00 -1.29 0.00 0.00 177.43 176.29 3lce h ALA 74 N 1.20 0.17 -0.34 1.57 0.00 -1.77 0.22 119.26 120.32 3lce h ALA 74 Ca 0.15 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3lce h ALA 74 Cb 0.09 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3lce h ALA 74 CO -0.13 -0.45 0.18 0.82 0.00 0.00 0.00 179.25 179.67 3lce h ILE 75 N 0.03 1.14 -0.68 0.00 2.04 -0.99 -1.50 117.51 117.56 3lce h ILE 75 Ca 0.11 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3lce h ILE 75 Cb 0.15 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3lce h ILE 75 CO -0.20 0.15 0.44 0.40 0.00 0.00 0.00 178.15 178.93 3lce h ILE 76 N 0.42 1.18 -0.90 -0.67 2.04 -0.56 0.78 117.51 119.80 3lce h ILE 76 Ca 0.12 -0.35 0.10 0.00 1.00 0.00 0.00 64.86 65.73 3lce h ILE 76 Cb 0.07 0.19 -0.07 0.00 -0.74 0.00 0.00 36.82 36.28 3lce h ILE 76 CO -0.02 0.18 0.58 1.23 0.00 0.00 0.00 178.15 180.12 3lce h GLY 77 N 0.93 1.32 0.78 5.37 0.00 -0.17 -0.63 103.07 110.67 3lce h GLY 77 Ca 0.25 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 47.08 3lce h GLY 77 CO -0.05 0.20 -0.48 1.41 0.00 0.00 0.00 176.54 177.62 3lce h LEU 78 N 0.89 0.52 -1.13 3.11 3.38 -0.72 0.93 115.31 122.28 3lce h LEU 78 Ca 0.42 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3lce h LEU 78 Cb 0.43 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3lce h LEU 78 CO -0.19 1.13 0.44 -0.33 0.09 0.00 0.00 178.44 179.59 3lce h GLU 79 N -0.05 1.04 0.00 1.13 4.39 -0.58 -2.76 114.58 117.75 3lce h GLU 79 Ca -0.04 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.56 3lce h GLU 79 Cb 1.15 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 3lce h GLU 79 CO 0.10 0.74 -0.35 0.25 -1.16 0.00 0.00 179.01 178.59 3lce n THR 80 N -4.37 0.05 -0.45 1.13 -2.24 -0.27 -4.91 114.28 103.22 3lce n THR 80 Ca 0.08 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3lce n THR 80 Cb 0.08 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 3lce n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lce n GLY 81 N 1.48 0.82 0.35 3.38 0.00 -1.01 -4.90 105.19 105.32 3lce n GLY 81 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 3lce n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3lce h VAL 82 N 0.00 1.22 -3.83 1.61 2.07 -1.46 -3.33 116.25 112.53 3lce h VAL 82 Ca 0.00 -0.43 -0.65 0.00 0.82 0.00 0.00 66.70 66.44 3lce h VAL 82 Cb 0.00 0.05 -0.18 0.00 -1.52 0.00 0.00 31.29 29.63 3lce h VAL 82 CO 0.00 0.22 -0.53 -0.63 0.02 0.00 0.00 177.57 176.65 3lce s ILE 83 N -5.87 5.13 0.07 4.57 1.01 0.19 -4.98 121.20 121.32 3lce s ILE 83 Ca -0.11 0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.40 3lce s ILE 83 Cb 0.18 -3.47 -0.10 0.00 0.01 0.00 0.00 42.46 39.07 3lce s ILE 83 CO 0.80 0.22 1.41 0.50 0.00 0.00 0.00 174.94 177.87 3lce h LYS 84 N 8.37 0.52 -2.72 2.79 3.64 -1.86 -3.39 116.57 123.91 3lce h LYS 84 Ca -0.35 -0.25 0.09 0.00 -1.27 0.00 0.00 60.65 58.87 3lce h LYS 84 Cb 1.18 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 3lce h LYS 84 CO 0.57 0.82 0.47 0.54 -2.27 0.00 0.00 179.45 179.58 3lce s ASN 85 N -6.27 0.01 0.46 4.20 2.20 -1.26 -4.96 114.94 109.33 3lce s ASN 85 Ca -0.13 -0.87 0.30 0.00 -0.94 0.00 0.00 52.86 51.22 3lce s ASN 85 Cb 0.07 0.64 1.38 0.00 -2.00 0.00 0.00 41.25 41.34 3lce s ASN 85 CO 0.78 -1.27 1.72 -0.08 -2.94 0.00 0.00 177.10 175.32 3lce h GLU 86 N 2.00 0.15 -0.70 3.55 4.81 -1.99 -1.53 114.58 120.87 3lce h GLU 86 Ca -0.29 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3lce h GLU 86 Cb 1.23 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3lce h GLU 86 CO 0.38 0.10 0.00 0.72 -0.73 0.00 0.00 179.01 179.48 3lce n HIS 87 N -4.46 1.15 -1.63 0.92 8.25 -1.26 -4.65 115.22 113.55 3lce n HIS 87 Ca 0.30 -0.52 -0.60 0.00 -0.26 0.00 0.00 57.72 56.64 3lce n HIS 87 Cb 1.24 -0.09 -0.08 0.00 1.12 0.00 0.00 29.99 32.18 3lce n HIS 87 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3lce n GLN 88 N 1.44 0.46 -3.55 -0.41 -0.06 -0.58 -4.96 117.38 109.72 3lce n GLN 88 Ca 0.25 0.17 -0.37 0.00 -2.00 0.00 0.00 57.00 55.04 3lce n GLN 88 Cb 0.71 -1.73 -0.07 0.00 -4.06 0.00 0.00 30.24 25.09 3lce n GLN 88 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3lce s VAL 89 N 1.67 5.25 -0.55 1.69 1.01 -1.26 -3.65 120.40 124.56 3lce s VAL 89 Ca 0.95 0.61 -0.18 0.00 0.00 0.00 0.00 61.98 63.36 3lce s VAL 89 Cb -1.23 -3.64 0.09 0.00 0.00 0.00 0.00 36.38 31.60 3lce s VAL 89 CO 0.64 0.46 0.64 -0.36 0.00 0.00 0.00 175.10 176.48 3lce s PHE 90 N -0.09 3.05 0.13 5.22 0.40 0.26 -4.93 117.98 122.02 3lce s PHE 90 Ca 0.19 -0.85 -0.31 0.00 -0.60 0.00 0.00 56.93 55.36 3lce s PHE 90 Cb -0.14 -3.78 -0.08 0.00 0.51 0.00 0.00 43.02 39.53 3lce s PHE 90 CO 0.07 -1.15 1.36 0.15 0.70 0.00 0.00 175.22 176.35 3lce s LYS 91 N 2.50 4.34 -0.12 0.44 3.01 -1.26 -1.30 119.74 127.35 3lce s LYS 91 Ca 0.11 2.06 -0.29 0.00 -1.01 0.00 0.00 55.97 56.84 3lce s LYS 91 Cb -0.23 -3.24 -0.01 0.00 -1.01 0.00 0.00 37.83 33.34 3lce s LYS 91 CO 0.08 -0.39 0.99 -0.46 0.51 0.00 0.00 175.35 176.08 3lce s TRP 92 N 0.85 3.50 -2.04 3.18 -0.00 -1.26 -4.91 118.94 118.25 3lce s TRP 92 Ca 0.62 1.56 0.31 0.00 -0.00 0.00 0.00 56.10 58.60 3lce s TRP 92 Cb -0.37 -3.18 1.78 0.00 -0.00 0.00 0.00 33.47 31.71 3lce s TRP 92 CO 0.32 -0.24 2.16 -0.40 -0.00 0.00 0.00 176.95 178.79 3lce n ASP 93 N 5.09 0.20 0.00 5.86 5.68 -1.26 -4.88 116.55 127.23 3lce n ASP 93 Ca 0.09 -1.04 0.00 0.00 -0.50 0.00 0.00 54.79 53.34 3lce n ASP 93 Cb 0.49 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 3lce n ASP 93 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3lce n GLY 94 N 1.03 1.37 3.76 6.12 0.00 -1.26 -5.04 105.19 111.17 3lce n GLY 94 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 3lce n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lce s LYS 95 N -0.44 3.20 0.69 1.61 1.02 -1.26 -4.96 119.74 119.60 3lce s LYS 95 Ca 0.00 1.91 -0.17 0.00 0.02 0.00 0.00 55.97 57.73 3lce s LYS 95 Cb 0.00 -2.12 0.01 0.00 -0.52 0.00 0.00 37.83 35.19 3lce s LYS 95 CO 0.00 -1.04 1.23 -2.30 -0.92 0.00 0.00 175.35 172.31 3lce n PRO 96 N -1.19 0.86 -4.08 -1.68 -0.02 -1.26 -5.01 135.00 122.62 3lce n PRO 96 Ca 0.11 0.35 -0.07 0.00 -2.02 0.00 0.00 63.50 61.87 3lce n PRO 96 Cb 0.48 -2.46 -0.10 0.00 -0.02 0.00 0.00 33.50 31.40 3lce n PRO 96 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3lce s ARG 97 N -3.48 0.58 0.36 -0.52 0.52 -1.26 -5.07 118.95 110.08 3lce s ARG 97 Ca 0.80 -1.14 0.05 0.00 -0.52 0.00 0.00 55.73 54.91 3lce s ARG 97 Cb -0.36 0.18 0.72 0.00 0.52 0.00 0.00 34.95 36.01 3lce s ARG 97 CO 0.44 -0.10 1.99 0.00 0.02 0.00 0.00 175.30 177.65 3lce h ALA 98 N 3.35 1.65 -3.01 2.13 0.00 -1.97 -3.43 119.26 117.98 3lce h ALA 98 Ca -0.34 -0.03 -0.64 0.00 0.00 0.00 0.00 54.91 53.90 3lce h ALA 98 Cb 1.15 -0.21 -0.18 0.00 0.00 0.00 0.00 17.79 18.55 3lce h ALA 98 CO 0.62 0.27 -0.81 -1.64 0.00 0.00 0.00 179.25 177.70 3lce s MET 99 N -5.67 1.53 0.13 0.00 -1.94 -1.26 -5.03 119.30 107.05 3lce s MET 99 Ca -0.10 -1.56 0.00 0.00 -1.71 0.00 0.00 55.69 52.33 3lce s MET 99 Cb 0.18 -1.79 -0.10 0.00 2.01 0.00 0.00 34.83 35.13 3lce s MET 99 CO 0.76 0.38 1.30 1.57 -0.01 0.00 0.00 175.02 179.02 3lce h LYS 100 N 3.05 0.23 0.00 2.03 2.10 -1.97 -2.43 116.57 119.58 3lce h LYS 100 Ca -0.45 -0.28 0.00 0.00 -2.00 0.00 0.00 60.65 57.92 3lce h LYS 100 Cb 1.22 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 3lce h LYS 100 CO 0.50 1.04 0.00 1.04 -2.00 0.00 0.00 179.45 180.03 3lce n GLN 101 N -3.61 0.08 0.02 0.07 6.02 -1.26 -1.92 117.38 116.78 3lce n GLN 101 Ca -0.05 0.56 0.11 0.00 -0.01 0.00 0.00 57.00 57.61 3lce n GLN 101 Cb 0.87 -1.76 -0.09 0.00 1.02 0.00 0.00 30.24 30.28 3lce n GLN 101 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 3lce n TRP 102 N -1.93 0.24 -2.42 1.08 8.01 -0.92 -4.66 117.44 116.83 3lce n TRP 102 Ca -0.01 0.07 -0.43 0.00 -1.31 0.00 0.00 57.50 55.83 3lce n TRP 102 Cb 0.03 -0.52 0.00 0.00 -2.01 0.00 0.00 31.31 28.82 3lce n TRP 102 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 3lce n GLU 103 N -2.19 3.60 -3.62 -0.99 1.02 -0.81 -4.82 120.64 112.82 3lce n GLU 103 Ca -0.01 -3.57 -0.03 0.00 -0.02 0.00 0.00 57.16 53.52 3lce n GLU 103 Cb 0.51 -2.94 -0.02 0.00 -0.02 0.00 0.00 31.44 28.97 3lce n GLU 103 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3lce s ARG 104 N 0.52 0.16 0.36 3.49 1.70 -1.26 -5.04 118.95 118.86 3lce s ARG 104 Ca 0.40 -0.05 -0.28 0.00 -0.47 0.00 0.00 55.73 55.32 3lce s ARG 104 Cb 0.08 0.07 -0.10 0.00 -0.57 0.00 0.00 34.95 34.43 3lce s ARG 104 CO 0.00 -0.07 1.36 -0.51 -1.08 0.00 0.00 175.30 175.00 3lce s ASP 105 N -2.06 6.56 0.06 -2.89 1.01 -1.26 -4.20 116.67 113.90 3lce s ASP 105 Ca 0.11 2.78 0.05 0.00 0.71 0.00 0.00 52.55 56.20 3lce s ASP 105 Cb -0.01 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.24 3lce s ASP 105 CO -0.03 -0.69 -0.14 -0.76 0.21 0.00 0.00 175.17 173.76 3lce s LEU 106 N -2.00 2.24 0.79 1.23 1.43 -0.42 -4.95 118.68 117.01 3lce s LEU 106 Ca 0.51 -0.56 -0.07 0.00 -1.03 0.00 0.00 54.13 52.99 3lce s LEU 106 Cb -0.41 -0.52 0.13 0.00 0.03 0.00 0.00 46.19 45.42 3lce s LEU 106 CO 0.55 -0.05 1.09 0.42 0.23 0.00 0.00 176.35 178.59 3lce s THR 107 N -1.14 2.14 0.15 5.49 -4.23 -1.26 0.90 115.64 117.69 3lce s THR 107 Ca -0.01 -0.35 -0.15 0.00 -1.18 0.00 0.00 61.69 60.00 3lce s THR 107 Cb -0.09 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 70.98 3lce s THR 107 CO 0.02 0.00 1.77 0.25 -0.54 0.00 0.00 174.62 176.12 3lce h LEU 108 N -0.87 0.56 -0.48 4.79 5.85 -1.82 0.89 115.31 124.22 3lce h LEU 108 Ca -0.41 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.15 3lce h LEU 108 Cb 1.27 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 3lce h LEU 108 CO 0.44 0.48 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.88 3lce h ARG 109 N 0.60 0.88 -0.68 1.25 2.43 -1.90 -1.78 114.38 115.19 3lce h ARG 109 Ca 0.16 -0.30 0.01 0.00 -0.81 0.00 0.00 59.98 59.04 3lce h ARG 109 Cb 0.04 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 3lce h ARG 109 CO -0.03 0.94 0.44 0.78 -1.51 0.00 0.00 179.97 180.59 3lce h GLY 110 N 0.73 0.96 1.02 2.80 0.00 -1.86 0.23 103.07 106.95 3lce h GLY 110 Ca 0.13 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 3lce h GLY 110 CO 0.03 0.33 0.14 0.00 0.00 0.00 0.00 176.54 177.04 3lce h ALA 111 N 1.26 0.79 -0.04 3.60 0.00 -0.59 -1.11 119.26 123.17 3lce h ALA 111 Ca 0.25 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3lce h ALA 111 Cb -0.08 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3lce h ALA 111 CO -0.07 0.51 0.01 0.82 0.00 0.00 0.00 179.25 180.52 3lce h ILE 112 N 0.87 1.21 -0.77 0.00 2.04 -1.17 0.16 117.51 119.85 3lce h ILE 112 Ca 0.19 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 3lce h ILE 112 Cb 0.37 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 3lce h ILE 112 CO 0.00 0.17 0.40 1.56 0.00 0.00 0.00 178.15 180.28 3lce h GLN 113 N -0.18 1.08 -0.04 2.37 1.08 -0.31 -1.36 115.11 117.74 3lce h GLN 113 Ca 0.01 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 3lce h GLN 113 Cb 0.27 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3lce h GLN 113 CO 0.00 0.80 0.00 1.33 -0.95 0.00 0.00 178.83 180.02 3lce n VAL 114 N -4.34 0.03 -3.19 -0.54 0.24 -0.44 -4.97 118.33 105.11 3lce n VAL 114 Ca 0.08 -0.38 -0.14 0.00 -2.04 0.00 0.00 64.34 61.85 3lce n VAL 114 Cb 0.11 0.94 0.07 0.00 -1.47 0.00 0.00 33.84 33.50 3lce n VAL 114 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3lce n SER 115 N 0.74 -3.90 -4.54 -1.34 2.88 -0.42 -4.84 113.62 102.19 3lce n SER 115 Ca 0.17 -0.59 -0.42 0.00 -1.33 0.00 0.00 58.87 56.69 3lce n SER 115 Cb 0.47 -4.70 -0.02 0.00 -0.75 0.00 0.00 64.21 59.21 3lce n SER 115 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3lce s ALA 116 N -3.34 3.06 0.23 -1.46 0.00 -0.09 -4.86 121.76 115.31 3lce s ALA 116 Ca 0.19 -2.58 -0.11 0.00 0.00 0.00 0.00 51.96 49.46 3lce s ALA 116 Cb -0.02 -4.43 0.32 0.00 0.00 0.00 0.00 23.12 18.99 3lce s ALA 116 CO 0.66 -3.36 1.62 0.28 0.00 0.00 0.00 175.76 174.96 3lce h VAL 117 N 6.19 0.33 -0.18 0.00 2.07 -1.88 -1.80 116.25 120.98 3lce h VAL 117 Ca 0.25 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.75 3lce h VAL 117 Cb 0.97 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3lce h VAL 117 CO 1.36 0.01 0.09 -0.65 0.02 0.00 0.00 177.57 178.39 3lce h PRO 118 N 0.03 0.25 -0.49 1.57 0.11 -1.99 0.15 132.00 131.63 3lce h PRO 118 Ca 0.35 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.32 3lce h PRO 118 Cb 0.57 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 3lce h PRO 118 CO -0.69 0.20 -0.17 0.28 -0.21 0.00 0.00 178.00 177.41 3lce h VAL 119 N 0.25 1.27 0.00 3.15 2.07 -1.74 -2.56 116.25 118.69 3lce h VAL 119 Ca 0.07 -1.32 -0.19 0.00 0.82 0.00 0.00 66.70 66.07 3lce h VAL 119 Cb 0.03 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3lce h VAL 119 CO -0.01 0.46 -0.92 -0.26 0.02 0.00 0.00 177.57 176.85 3lce h PHE 120 N 0.83 0.00 -0.95 1.57 -1.00 -1.23 -1.64 116.94 114.53 3lce h PHE 120 Ca 0.12 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.93 3lce h PHE 120 Cb 0.73 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.23 3lce h PHE 120 CO 0.05 0.92 0.62 1.96 -1.61 0.00 0.00 178.31 180.25 3lce h GLN 121 N 0.00 1.18 -0.32 1.51 4.20 -0.70 -0.88 115.11 120.11 3lce h GLN 121 Ca -0.01 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.47 3lce h GLN 121 Cb 1.70 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 29.21 3lce h GLN 121 CO 0.12 0.78 -0.44 0.37 -0.67 0.00 0.00 178.83 178.99 3lce h GLN 122 N 1.22 0.84 -0.46 1.46 5.75 -1.33 -2.07 115.11 120.52 3lce h GLN 122 Ca 0.37 -0.47 0.03 0.00 -0.15 0.00 0.00 58.65 58.43 3lce h GLN 122 Cb -0.04 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 3lce h GLN 122 CO -0.11 1.11 0.25 0.82 -2.65 0.00 0.00 178.83 178.25 3lce h ILE 123 N 0.67 1.01 -0.36 2.39 2.04 -1.09 -1.95 117.51 120.22 3lce h ILE 123 Ca 0.04 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3lce h ILE 123 Cb 1.03 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3lce h ILE 123 CO 0.10 0.09 0.24 0.00 0.00 0.00 0.00 178.15 178.58 3lce h ALA 124 N 1.22 0.45 -0.24 1.87 0.00 -1.00 -0.23 119.26 121.33 3lce h ALA 124 Ca 0.19 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.13 3lce h ALA 124 Cb 0.06 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3lce h ALA 124 CO -0.11 -0.08 -0.11 0.00 0.00 0.00 0.00 179.25 178.95 3lce h ARG 125 N 0.48 -0.07 -0.85 0.00 3.08 -1.25 -0.08 114.38 115.69 3lce h ARG 125 Ca 0.13 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.23 3lce h ARG 125 Cb -0.05 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 3lce h ARG 125 CO -0.03 -0.05 0.54 0.93 -1.07 0.00 0.00 179.97 180.30 3lce h GLU 126 N -0.07 1.00 -0.24 0.04 5.08 -1.00 -2.82 114.58 116.57 3lce h GLU 126 Ca 0.13 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3lce h GLU 126 Cb 0.27 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3lce h GLU 126 CO -0.29 0.66 0.04 0.28 -1.00 0.00 0.00 179.01 178.70 3lce h VAL 127 N 1.03 1.22 0.00 3.13 2.07 -0.63 -3.49 116.25 119.59 3lce h VAL 127 Ca 0.35 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3lce h VAL 127 Cb 0.06 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3lce h VAL 127 CO -0.13 0.23 0.00 0.61 0.02 0.00 0.00 177.57 178.30 3lce n GLY 128 N -0.48 -1.92 0.34 2.17 0.00 -0.08 -4.29 105.19 100.93 3lce n GLY 128 Ca -0.03 -1.52 -0.03 0.00 0.00 0.00 0.00 46.02 44.43 3lce n GLY 128 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3lce h GLU 129 N 0.00 1.18 -0.20 1.61 4.81 -1.88 -1.62 114.58 118.48 3lce h GLU 129 Ca 0.00 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 3lce h GLU 129 Cb 0.00 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 3lce h GLU 129 CO 0.00 0.79 -0.01 0.28 -0.73 0.00 0.00 179.01 179.34 3lce h VAL 130 N 1.21 1.26 -0.28 0.32 2.07 -2.00 -1.54 116.25 117.28 3lce h VAL 130 Ca 0.32 -0.92 -0.10 0.00 0.82 0.00 0.00 66.70 66.82 3lce h VAL 130 Cb -0.12 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3lce h VAL 130 CO -0.07 0.28 -0.22 0.03 0.02 0.00 0.00 177.57 177.61 3lce h ARG 131 N 0.10 0.65 -0.08 1.57 3.08 -1.73 -2.42 114.38 115.56 3lce h ARG 131 Ca 0.05 -0.32 0.04 0.00 0.07 0.00 0.00 59.98 59.82 3lce h ARG 131 Cb 0.42 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 3lce h ARG 131 CO 0.01 0.92 -0.20 1.98 -1.07 0.00 0.00 179.97 181.62 3lce h MET 132 N 0.39 -0.27 -0.67 0.04 4.05 -1.25 -1.93 114.93 115.30 3lce h MET 132 Ca 0.05 0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.56 3lce h MET 132 Cb 0.78 0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.58 3lce h MET 132 CO 0.06 -0.18 0.36 0.37 0.23 0.00 0.00 176.91 177.75 3lce h GLN 133 N -0.28 0.64 -0.55 0.39 5.75 -1.28 -0.93 115.11 118.84 3lce h GLN 133 Ca 0.08 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 3lce h GLN 133 Cb 0.39 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 3lce h GLN 133 CO -0.24 0.42 0.35 -0.22 -2.65 0.00 0.00 178.83 176.50 3lce h LYS 134 N 0.66 0.74 -0.19 1.69 3.64 -1.15 -2.38 116.57 119.56 3lce h LYS 134 Ca 0.31 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.46 3lce h LYS 134 Cb 0.23 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3lce h LYS 134 CO -0.20 0.50 -0.58 1.88 -2.27 0.00 0.00 179.45 178.78 3lce h TYR 135 N 0.75 0.78 -0.23 1.91 0.05 -0.79 -1.20 116.97 118.23 3lce h TYR 135 Ca 0.20 -0.29 -0.04 0.00 0.05 0.00 0.00 58.73 58.65 3lce h TYR 135 Cb -0.06 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.52 3lce h TYR 135 CO -0.03 1.05 -0.04 -0.07 -1.05 0.00 0.00 178.16 178.02 3lce h LEU 136 N 0.47 0.33 -0.28 3.88 3.38 -1.09 0.53 115.31 122.52 3lce h LEU 136 Ca 0.00 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3lce h LEU 136 Cb 1.15 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3lce h LEU 136 CO 0.11 0.43 -0.10 0.50 0.09 0.00 0.00 178.44 179.47 3lce h LYS 137 N 0.34 0.56 -0.70 1.13 3.64 -1.26 0.07 116.57 120.36 3lce h LYS 137 Ca 0.08 -0.23 0.02 0.00 -1.27 0.00 0.00 60.65 59.25 3lce h LYS 137 Cb 0.30 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 3lce h LYS 137 CO 0.01 0.78 0.46 0.87 -2.27 0.00 0.00 179.45 179.30 3lce h LYS 138 N 0.32 0.86 -0.01 1.90 1.57 -0.48 -2.33 116.57 118.40 3lce h LYS 138 Ca 0.07 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3lce h LYS 138 Cb 0.59 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3lce h LYS 138 CO 0.03 0.57 -0.10 1.19 -0.57 0.00 0.00 179.45 180.57 3lce n PHE 139 N -4.45 0.00 -3.79 -1.35 3.72 0.11 -4.73 117.46 106.97 3lce n PHE 139 Ca 0.08 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.24 3lce n PHE 139 Cb 0.09 -0.08 0.01 0.00 -0.94 0.00 0.00 39.48 38.56 3lce n PHE 139 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3lce n SER 140 N -0.46 -1.67 -4.39 4.37 7.64 -0.29 -4.84 113.62 113.98 3lce n SER 140 Ca 0.16 -0.93 -0.45 0.00 1.01 0.00 0.00 58.87 58.66 3lce n SER 140 Cb 0.31 -3.55 -0.02 0.00 -1.01 0.00 0.00 64.21 59.94 3lce n SER 140 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3lce s TYR 141 N -3.75 3.40 0.00 1.43 6.14 -0.15 -4.97 117.35 119.45 3lce s TYR 141 Ca 0.10 -1.62 0.00 0.00 0.64 0.00 0.00 57.07 56.18 3lce s TYR 141 Cb -0.03 -4.06 0.00 0.00 0.42 0.00 0.00 41.96 38.29 3lce s TYR 141 CO 0.85 -1.25 0.00 0.41 0.64 0.00 0.00 175.55 176.20 3lce n GLY 142 N 4.80 2.48 0.00 8.97 0.00 -1.26 -2.24 105.19 117.93 3lce n GLY 142 Ca 0.17 -0.41 0.15 0.00 0.00 0.00 0.00 46.02 45.93 3lce n GLY 142 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3lce n ASN 143 N -0.07 0.00 -2.30 1.61 0.23 0.48 -4.90 115.26 110.32 3lce n ASN 143 Ca 0.00 -0.82 -0.17 0.00 -0.53 0.00 0.00 54.58 53.06 3lce n ASN 143 Cb 0.00 -0.04 -0.02 0.00 -2.08 0.00 0.00 39.78 37.64 3lce n ASN 143 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3lce n GLN 144 N -1.04 -1.86 -3.59 -3.83 6.02 -0.95 -4.93 117.38 107.20 3lce n GLN 144 Ca 0.21 0.85 -0.41 0.00 -0.01 0.00 0.00 57.00 57.64 3lce n GLN 144 Cb 0.12 -5.44 -0.11 0.00 1.02 0.00 0.00 30.24 25.83 3lce n GLN 144 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3lce s ASN 145 N -2.09 5.75 -0.19 1.08 3.84 -1.26 -4.89 114.94 117.18 3lce s ASN 145 Ca 0.00 -1.05 0.16 0.00 0.21 0.00 0.00 52.86 52.18 3lce s ASN 145 Cb 0.00 -2.03 0.48 0.00 -0.55 0.00 0.00 41.25 39.15 3lce s ASN 145 CO 0.00 -0.41 1.37 2.30 -2.79 0.00 0.00 177.10 177.57 3lce n ILE 146 N 5.00 2.25 -1.28 -5.21 -5.35 -1.26 -1.77 119.36 111.75 3lce n ILE 146 Ca -0.12 -2.11 -0.31 0.00 -0.27 0.00 0.00 62.75 59.94 3lce n ILE 146 Cb 0.46 -0.26 0.09 0.00 -1.74 0.00 0.00 39.64 38.19 3lce n ILE 146 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3lce s SER 147 N -2.23 4.40 0.00 7.28 0.01 -1.26 -4.28 113.70 117.61 3lce s SER 147 Ca 0.41 1.92 0.00 0.00 1.31 0.00 0.00 55.95 59.58 3lce s SER 147 Cb 0.34 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 64.04 3lce s SER 147 CO 0.06 -2.11 0.00 0.61 0.41 0.00 0.00 173.24 172.21 3lce n GLY 148 N -0.86 3.27 0.00 3.44 0.00 -1.26 -4.22 105.19 105.55 3lce n GLY 148 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3lce n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lce n GLY 149 N -1.12 0.38 0.28 -0.02 0.00 -1.26 -5.03 105.19 98.42 3lce n GLY 149 Ca 0.00 0.65 0.16 0.00 0.00 0.00 0.00 46.02 46.83 3lce n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3lce h ILE 150 N 0.00 0.24 -0.62 -0.61 6.09 -1.91 -1.50 117.51 119.20 3lce h ILE 150 Ca 0.00 -0.47 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 3lce h ILE 150 Cb 0.00 1.37 0.00 0.00 0.47 0.00 0.00 36.82 38.66 3lce h ILE 150 CO 0.00 0.06 0.00 -0.90 -3.07 0.00 0.00 178.15 174.24 3lce n ASP 151 N -3.30 3.67 0.00 2.19 5.68 -1.26 -4.50 116.55 119.03 3lce n ASP 151 Ca -0.01 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.29 3lce n ASP 151 Cb 0.25 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 3lce n ASP 151 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3lce n LYS 152 N 1.36 0.00 0.21 0.11 2.85 -0.62 -4.76 118.16 117.32 3lce n LYS 152 Ca 0.21 -0.44 0.07 0.00 -1.05 0.00 0.00 58.31 57.10 3lce n LYS 152 Cb 0.57 -0.44 0.59 0.00 -0.65 0.00 0.00 35.03 35.10 3lce n LYS 152 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 3lce h PHE 153 N 0.00 0.09 -0.01 5.58 -5.15 -1.67 0.57 116.94 116.36 3lce h PHE 153 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3lce h PHE 153 Cb 1.00 -0.03 0.00 0.00 0.22 0.00 0.00 35.95 37.14 3lce h PHE 153 CO 0.00 0.07 -0.34 -2.67 -2.00 0.00 0.00 178.31 173.38 3lce n TRP 154 N -4.51 0.00 -0.09 6.09 2.14 -1.26 -2.18 117.44 117.63 3lce n TRP 154 Ca -0.02 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.43 3lce n TRP 154 Cb 0.10 -0.15 -0.09 0.00 -0.81 0.00 0.00 31.31 30.36 3lce n TRP 154 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3lce n LEU 155 N -0.86 2.66 -0.33 5.67 4.77 -0.40 -1.30 117.00 127.20 3lce n LEU 155 Ca 0.10 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3lce n LEU 155 Cb 0.35 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3lce n LEU 155 CO 0.29 0.76 0.19 -1.84 -1.33 0.00 0.00 177.39 175.45 3lce n GLU 156 N -2.97 0.00 0.00 3.23 0.28 0.06 -4.92 120.64 116.31 3lce n GLU 156 Ca -0.31 -0.26 0.00 0.00 -0.16 0.00 0.00 57.16 56.43 3lce n GLU 156 Cb 0.85 -0.16 0.00 0.00 1.43 0.00 0.00 31.44 33.57 3lce n GLU 156 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3lce n GLY 157 N 0.00 1.80 0.80 -1.84 0.00 -0.93 -4.97 105.19 100.05 3lce n GLY 157 Ca 0.00 -1.79 0.07 0.00 0.00 0.00 0.00 46.02 44.29 3lce n GLY 157 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3lce n GLN 158 N 0.00 2.95 -2.51 1.61 6.02 -1.23 -4.94 117.38 119.29 3lce n GLN 158 Ca 0.00 -2.37 -0.41 0.00 -0.01 0.00 0.00 57.00 54.20 3lce n GLN 158 Cb 0.00 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.72 3lce n GLN 158 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3lce s LEU 159 N -1.65 4.43 0.03 1.08 2.96 -0.73 -4.56 118.68 120.24 3lce s LEU 159 Ca 0.32 2.00 0.02 0.00 -0.22 0.00 0.00 54.13 56.24 3lce s LEU 159 Cb 0.21 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.29 3lce s LEU 159 CO 0.14 -0.32 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.66 3lce s ARG 160 N 0.36 0.46 0.00 1.98 1.81 -1.26 -3.99 118.95 118.32 3lce s ARG 160 Ca 0.53 -0.65 -0.10 0.00 -1.72 0.00 0.00 55.73 53.79 3lce s ARG 160 Cb -0.28 -0.22 0.01 0.00 -0.45 0.00 0.00 34.95 34.00 3lce s ARG 160 CO 0.32 0.04 0.19 -1.50 -0.68 0.00 0.00 175.30 173.67 3lce s ILE 161 N -1.23 0.08 0.38 1.52 2.07 -0.04 -0.38 121.20 123.59 3lce s ILE 161 Ca -0.10 -0.64 0.01 0.00 -1.41 0.00 0.00 60.65 58.51 3lce s ILE 161 Cb -0.09 -0.52 -0.02 0.00 0.13 0.00 0.00 42.46 41.95 3lce s ILE 161 CO 0.00 -0.35 0.58 -0.94 -1.91 0.00 0.00 174.94 172.32 3lce s SER 162 N -1.43 6.14 0.43 4.50 1.04 -1.26 -0.68 113.70 122.45 3lce s SER 162 Ca -0.14 0.36 0.09 0.00 0.48 0.00 0.00 55.95 56.74 3lce s SER 162 Cb -0.06 -1.83 0.93 0.00 0.10 0.00 0.00 66.02 65.15 3lce s SER 162 CO 0.02 -0.42 2.06 0.00 0.98 0.00 0.00 173.24 175.87 3lce h ALA 163 N 0.66 1.79 -0.35 5.32 0.00 -1.69 -0.83 119.26 124.17 3lce h ALA 163 Ca -0.48 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.23 3lce h ALA 163 Cb 1.23 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3lce h ALA 163 CO 0.60 0.17 -0.44 0.28 0.00 0.00 0.00 179.25 179.85 3lce h VAL 164 N 0.48 1.27 -0.17 0.00 2.07 -1.74 -2.11 116.25 116.05 3lce h VAL 164 Ca 0.16 -1.62 -0.09 0.00 0.82 0.00 0.00 66.70 65.97 3lce h VAL 164 Cb 0.05 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3lce h VAL 164 CO -0.04 0.54 -0.30 -1.13 0.02 0.00 0.00 177.57 176.66 3lce h ASN 165 N 0.73 0.33 -0.36 0.57 -0.73 -1.72 -1.96 115.58 112.44 3lce h ASN 165 Ca 0.04 -0.11 0.02 0.00 1.87 0.00 0.00 56.30 58.12 3lce h ASN 165 Cb 1.04 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 39.51 3lce h ASN 165 CO 0.10 0.63 0.19 1.56 -0.37 0.00 0.00 177.43 179.54 3lce h GLN 166 N 0.29 0.38 -0.41 6.67 1.08 -0.88 -0.09 115.11 122.14 3lce h GLN 166 Ca 0.04 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 3lce h GLN 166 Cb 0.68 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.00 3lce h GLN 166 CO 0.05 0.25 0.16 0.28 -0.95 0.00 0.00 178.83 178.62 3lce h VAL 167 N 0.39 1.20 -0.66 -0.54 2.07 -1.15 0.05 116.25 117.61 3lce h VAL 167 Ca 0.15 -0.63 0.09 0.00 0.82 0.00 0.00 66.70 67.13 3lce h VAL 167 Cb 0.04 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 3lce h VAL 167 CO -0.09 0.23 0.31 -0.33 0.02 0.00 0.00 177.57 177.71 3lce h GLU 168 N 0.53 0.53 -0.40 1.57 5.08 -1.16 0.40 114.58 121.12 3lce h GLU 168 Ca 0.14 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 3lce h GLU 168 Cb 0.20 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3lce h GLU 168 CO -0.01 0.35 -0.01 0.35 -1.00 0.00 0.00 179.01 178.69 3lce h PHE 169 N 0.54 0.78 -0.63 4.33 3.57 -0.65 -2.01 116.94 122.88 3lce h PHE 169 Ca 0.32 -0.14 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 3lce h PHE 169 Cb 0.33 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 3lce h PHE 169 CO -0.12 0.80 0.15 -0.07 -2.23 0.00 0.00 178.31 176.84 3lce h LEU 170 N 0.54 0.95 -0.64 0.59 3.38 -0.82 -1.09 115.31 118.21 3lce h LEU 170 Ca 0.11 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3lce h LEU 170 Cb 0.49 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3lce h LEU 170 CO 0.02 0.93 0.39 -0.08 0.09 0.00 0.00 178.44 179.80 3lce h GLU 171 N 0.92 0.87 -0.61 1.13 4.81 -0.84 0.23 114.58 121.09 3lce h GLU 171 Ca 0.20 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 3lce h GLU 171 Cb 0.35 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 3lce h GLU 171 CO 0.00 0.62 0.34 0.77 -0.73 0.00 0.00 179.01 180.01 3lce h SER 172 N 0.87 0.50 0.08 1.04 0.02 -1.12 -1.65 113.55 113.30 3lce h SER 172 Ca 0.23 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.21 3lce h SER 172 Cb -0.03 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3lce h SER 172 CO -0.04 0.34 -0.10 0.25 -1.14 0.00 0.00 176.83 176.13 3lce h LEU 173 N 0.64 -0.28 -0.94 5.07 5.85 -0.79 0.35 115.31 125.21 3lce h LEU 173 Ca 0.27 0.03 0.19 0.00 0.84 0.00 0.00 57.88 59.21 3lce h LEU 173 Cb 0.14 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 41.17 3lce h LEU 173 CO -0.16 -0.16 0.52 0.22 -0.34 0.00 0.00 178.44 178.52 3lce h TYR 174 N -0.22 0.90 -0.07 1.25 3.20 -0.22 -1.07 116.97 120.74 3lce h TYR 174 Ca 0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3lce h TYR 174 Cb 0.22 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.24 3lce h TYR 174 CO -0.13 0.15 0.00 1.28 -1.64 0.00 0.00 178.16 177.83 3lce n LEU 175 N -4.86 1.26 -2.72 2.82 4.32 -0.65 -4.91 117.00 112.26 3lce n LEU 175 Ca 0.22 -0.48 -0.20 0.00 -0.02 0.00 0.00 56.01 55.53 3lce n LEU 175 Cb 0.56 -0.04 0.01 0.00 -1.62 0.00 0.00 43.42 42.33 3lce n LEU 175 CO 0.19 0.24 -0.13 0.59 -1.22 0.00 0.00 177.39 177.06 3lce n ASN 176 N 0.01 -5.28 -0.78 -1.43 3.02 -0.41 -4.90 115.26 105.50 3lce n ASN 176 Ca 0.18 -0.10 0.12 0.00 -0.03 0.00 0.00 54.58 54.75 3lce n ASN 176 Cb 0.29 -4.36 0.31 0.00 -0.61 0.00 0.00 39.78 35.41 3lce n ASN 176 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3lce n LYS 177 N -3.38 2.05 -1.26 3.52 5.02 0.11 -4.81 118.16 119.40 3lce n LYS 177 Ca -0.16 -1.55 -0.31 0.00 -2.02 0.00 0.00 58.31 54.28 3lce n LYS 177 Cb 0.63 -1.46 0.10 0.00 -0.02 0.00 0.00 35.03 34.29 3lce n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3lce s LEU 178 N -1.73 2.86 -1.31 -0.35 1.43 -1.23 -4.89 118.68 113.47 3lce s LEU 178 Ca 0.34 1.74 -0.16 0.00 -1.03 0.00 0.00 54.13 55.02 3lce s LEU 178 Cb 0.20 -4.38 0.09 0.00 0.03 0.00 0.00 46.19 42.14 3lce s LEU 178 CO 0.30 -2.15 1.77 -1.20 0.23 0.00 0.00 176.35 175.30 3lce n SER 179 N -3.59 4.83 -3.72 2.29 7.64 -1.26 -4.79 113.62 115.02 3lce n SER 179 Ca 0.09 -2.93 -0.10 0.00 1.01 0.00 0.00 58.87 56.94 3lce n SER 179 Cb 0.54 -1.68 -0.04 0.00 -1.01 0.00 0.00 64.21 62.02 3lce n SER 179 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3lce s ALA 180 N 3.23 -0.94 0.65 -0.43 0.00 -1.26 -5.00 121.76 118.01 3lce s ALA 180 Ca 0.49 -0.19 -0.17 0.00 0.00 0.00 0.00 51.96 52.10 3lce s ALA 180 Cb 0.05 0.84 -0.00 0.00 0.00 0.00 0.00 23.12 24.00 3lce s ALA 180 CO 0.03 -0.78 1.17 -1.54 0.00 0.00 0.00 175.76 174.64 3lce s SER 181 N -2.86 4.90 0.34 0.00 1.04 -1.26 -4.89 113.70 110.97 3lce s SER 181 Ca 0.08 2.25 0.04 0.00 0.48 0.00 0.00 55.95 58.80 3lce s SER 181 Cb -0.01 -2.58 0.61 0.00 0.10 0.00 0.00 66.02 64.14 3lce s SER 181 CO -0.04 -1.78 1.88 0.50 0.98 0.00 0.00 173.24 174.78 3lce h LYS 182 N 0.30 0.53 -0.29 4.02 3.64 -1.93 -2.14 116.57 120.70 3lce h LYS 182 Ca -0.48 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 58.80 3lce h LYS 182 Cb 1.28 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 3lce h LYS 182 CO 0.53 0.55 0.16 1.49 -2.27 0.00 0.00 179.45 179.91 3lce h GLU 183 N 0.51 0.33 -0.03 1.90 4.81 -1.99 0.13 114.58 120.24 3lce h GLU 183 Ca 0.11 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.19 3lce h GLU 183 Cb 0.32 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3lce h GLU 183 CO 0.01 0.22 -0.57 -0.91 -0.73 0.00 0.00 179.01 177.02 3lce h ASN 184 N 0.34 0.10 -0.59 1.04 2.35 -1.83 -1.54 115.58 115.46 3lce h ASN 184 Ca 0.11 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 3lce h ASN 184 Cb 0.01 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3lce h ASN 184 CO -0.06 0.65 0.01 1.56 -1.65 0.00 0.00 177.43 177.94 3lce h GLN 185 N 0.07 1.03 -0.47 0.81 4.20 -1.17 -2.19 115.11 117.40 3lce h GLN 185 Ca -0.00 -0.32 -0.07 0.00 0.06 0.00 0.00 58.65 58.31 3lce h GLN 185 Cb 1.03 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 3lce h GLN 185 CO 0.08 1.01 -0.00 -0.07 -0.67 0.00 0.00 178.83 179.18 3lce h LEU 186 N 0.93 0.74 -0.23 1.46 3.38 -0.60 -0.52 115.31 120.47 3lce h LEU 186 Ca 0.17 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3lce h LEU 186 Cb 0.54 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3lce h LEU 186 CO 0.03 0.81 0.04 0.40 0.09 0.00 0.00 178.44 179.82 3lce h ILE 187 N 0.72 1.22 -0.15 1.22 2.04 -1.13 -2.28 117.51 119.16 3lce h ILE 187 Ca 0.14 -0.73 -0.12 0.00 1.00 0.00 0.00 64.86 65.15 3lce h ILE 187 Cb 0.45 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3lce h ILE 187 CO 0.02 0.23 -0.44 0.58 0.00 0.00 0.00 178.15 178.54 3lce h VAL 188 N 0.19 1.32 -0.54 1.67 2.07 -1.31 -2.64 116.25 117.00 3lce h VAL 188 Ca 0.07 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 65.97 3lce h VAL 188 Cb 0.31 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3lce h VAL 188 CO 0.00 0.49 0.29 0.11 0.02 0.00 0.00 177.57 178.48 3lce h LYS 189 N 0.29 0.75 -0.45 1.57 1.57 -0.86 -2.63 116.57 116.82 3lce h LYS 189 Ca 0.02 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 3lce h LYS 189 Cb 0.89 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 3lce h LYS 189 CO 0.07 0.59 0.01 1.49 -0.57 0.00 0.00 179.45 181.04 3lce h GLU 190 N 0.72 0.72 0.00 3.15 4.81 -1.26 -1.59 114.58 121.14 3lce h GLU 190 Ca 0.19 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3lce h GLU 190 Cb 0.06 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3lce h GLU 190 CO -0.03 0.73 0.00 0.00 -0.73 0.00 0.00 179.01 178.98 3lce h ALA 191 N 1.33 1.00 -0.01 2.92 0.00 -1.14 -2.40 119.26 120.97 3lce h ALA 191 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3lce h ALA 191 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3lce h ALA 191 CO 0.01 0.00 -0.73 1.28 0.00 0.00 0.00 179.25 179.82 3lce n LEU 192 N -2.71 1.28 -4.70 0.00 4.77 -0.61 -4.68 117.00 110.35 3lce n LEU 192 Ca -0.02 -0.51 -0.43 0.00 -0.03 0.00 0.00 56.01 55.02 3lce n LEU 192 Cb 0.08 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3lce n LEU 192 CO 0.16 0.27 1.39 0.52 -1.33 0.00 0.00 177.39 178.41 3lce n VAL 193 N -0.97 0.17 0.00 4.08 0.31 -0.91 -1.77 118.33 119.25 3lce n VAL 193 Ca 0.06 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3lce n VAL 193 Cb 0.38 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 3lce n VAL 193 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3lce n THR 194 N 4.22 0.00 -3.84 2.52 -2.24 0.20 -4.93 114.28 110.21 3lce n THR 194 Ca 0.17 -0.19 -0.12 0.00 -2.27 0.00 0.00 64.05 61.65 3lce n THR 194 Cb 0.35 0.68 -0.12 0.00 -2.10 0.00 0.00 70.33 69.13 3lce n THR 194 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3lce s GLU 195 N -1.24 0.21 -0.06 -0.78 0.41 -1.21 -4.98 118.70 111.05 3lce s GLU 195 Ca 0.00 0.08 -0.03 0.00 -0.41 0.00 0.00 54.97 54.61 3lce s GLU 195 Cb 0.00 0.09 0.04 0.00 -1.78 0.00 0.00 34.13 32.48 3lce s GLU 195 CO 0.00 -0.03 0.13 0.00 -0.49 0.00 0.00 175.26 174.87 3lce s ALA 196 N -0.18 -0.17 0.19 5.21 0.00 -1.26 -0.98 121.76 124.57 3lce s ALA 196 Ca -0.03 0.58 -0.03 0.00 0.00 0.00 0.00 51.96 52.49 3lce s ALA 196 Cb -0.02 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 3lce s ALA 196 CO 0.00 -0.26 0.17 0.00 0.00 0.00 0.00 175.76 175.68 3lce s ALA 197 N 1.46 0.84 0.43 0.00 0.00 0.62 -5.00 121.76 120.12 3lce s ALA 197 Ca -0.06 -1.49 0.11 0.00 0.00 0.00 0.00 51.96 50.53 3lce s ALA 197 Cb -0.12 1.22 0.98 0.00 0.00 0.00 0.00 23.12 25.20 3lce s ALA 197 CO -0.05 -0.61 2.02 -1.35 0.00 0.00 0.00 175.76 175.77 3lce h PRO 198 N 2.61 0.42 -0.06 0.00 0.11 -2.02 -2.81 132.00 130.25 3lce h PRO 198 Ca -0.34 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.66 3lce h PRO 198 Cb 1.24 -0.10 -0.13 0.00 0.11 0.00 0.00 31.00 32.12 3lce h PRO 198 CO 0.51 0.28 -0.67 0.39 -0.21 0.00 0.00 178.00 178.30 3lce n GLU 199 N -4.47 1.34 -3.65 1.05 1.02 -1.26 -5.00 120.64 109.67 3lce n GLU 199 Ca 0.06 -3.05 -0.08 0.00 -0.02 0.00 0.00 57.16 54.07 3lce n GLU 199 Cb 0.24 -1.27 -0.09 0.00 -0.02 0.00 0.00 31.44 30.29 3lce n GLU 199 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3lce s TYR 200 N -2.49 -0.83 -0.03 -0.32 5.04 -1.06 -0.98 117.35 116.67 3lce s TYR 200 Ca 0.38 1.57 -0.00 0.00 -2.44 0.00 0.00 57.07 56.57 3lce s TYR 200 Cb 0.38 0.33 0.03 0.00 0.35 0.00 0.00 41.96 43.05 3lce s TYR 200 CO -0.09 -0.50 0.02 -1.17 -1.34 0.00 0.00 175.55 172.48 3lce s LEU 201 N 2.63 0.96 -0.09 6.97 2.96 0.23 -0.28 118.68 132.06 3lce s LEU 201 Ca -0.02 0.00 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 3lce s LEU 201 Cb -0.12 -0.18 -0.01 0.00 0.50 0.00 0.00 46.19 46.38 3lce s LEU 201 CO -0.13 -0.14 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.87 3lce s VAL 202 N 1.26 2.47 -0.14 1.68 1.01 -0.15 -0.79 120.40 125.74 3lce s VAL 202 Ca -0.07 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 3lce s VAL 202 Cb -0.13 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 3lce s VAL 202 CO -0.02 0.56 -0.12 -1.00 0.00 0.00 0.00 175.10 174.51 3lce s HIS 203 N 0.03 2.83 0.19 5.22 3.76 -0.72 -0.63 115.29 125.96 3lce s HIS 203 Ca -0.07 -0.67 -0.22 0.00 -0.15 0.00 0.00 55.06 53.95 3lce s HIS 203 Cb -0.15 -1.87 0.06 0.00 1.11 0.00 0.00 32.58 31.73 3lce s HIS 203 CO 0.05 -0.24 0.62 -1.54 -0.85 0.00 0.00 174.74 172.79 3lce s SER 204 N 0.44 -0.47 -0.14 1.40 1.04 -0.73 -0.82 113.70 114.43 3lce s SER 204 Ca -0.09 -0.18 -0.09 0.00 0.48 0.00 0.00 55.95 56.07 3lce s SER 204 Cb -0.16 0.63 0.05 0.00 0.10 0.00 0.00 66.02 66.64 3lce s SER 204 CO 0.05 -1.07 0.34 -0.75 0.98 0.00 0.00 173.24 172.79 3lce s LYS 205 N -3.80 0.33 0.46 4.02 2.47 -0.12 -4.82 119.74 118.28 3lce s LYS 205 Ca 0.04 0.63 -0.02 0.00 -1.56 0.00 0.00 55.97 55.06 3lce s LYS 205 Cb -0.02 -0.00 -0.02 0.00 -1.46 0.00 0.00 37.83 36.33 3lce s LYS 205 CO -0.08 -0.13 0.71 0.95 0.16 0.00 0.00 175.35 176.96 3lce s THR 206 N 1.05 4.44 0.08 3.43 -4.23 -1.26 -1.58 115.64 117.57 3lce s THR 206 Ca -0.07 -0.23 -0.19 0.00 -1.18 0.00 0.00 61.69 60.02 3lce s THR 206 Cb -0.08 -3.67 0.04 0.00 1.34 0.00 0.00 72.50 70.14 3lce s THR 206 CO -0.08 -0.54 0.45 -0.83 -0.54 0.00 0.00 174.62 173.08 3lce s GLY 207 N -4.16 -0.34 -0.28 3.99 0.00 -0.60 -3.50 107.32 102.43 3lce s GLY 207 Ca 0.47 0.27 -0.10 0.00 0.00 0.00 0.00 44.72 45.36 3lce s GLY 207 CO 0.40 -0.00 0.62 -0.12 0.00 0.00 0.00 173.10 174.00 3lce s PHE 208 N -3.03 -1.24 -0.75 1.90 5.36 -1.26 0.13 117.98 119.08 3lce s PHE 208 Ca -0.02 2.20 0.26 0.00 -0.96 0.00 0.00 56.93 58.42 3lce s PHE 208 Cb 0.00 0.72 0.79 0.00 -0.34 0.00 0.00 43.02 44.19 3lce s PHE 208 CO -0.06 -0.63 1.73 -1.13 -1.46 0.00 0.00 175.22 173.66 3lce n SER 209 N 5.31 0.71 0.00 6.13 3.41 -0.05 -4.67 113.62 124.46 3lce n SER 209 Ca -0.13 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 3lce n SER 209 Cb 0.50 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 3lce n SER 209 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3lce n GLY 210 N 1.34 3.37 3.73 5.00 0.00 -1.26 -4.94 105.19 112.42 3lce n GLY 210 Ca 0.05 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 3lce n GLY 210 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lce s VAL 211 N -2.42 3.71 0.00 1.61 1.01 -1.26 -3.73 120.40 119.31 3lce s VAL 211 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.36 3lce s VAL 211 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3lce s VAL 211 CO 0.00 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.90 3lce n GLY 212 N 2.47 5.35 3.97 4.51 0.00 -0.43 -4.69 105.19 116.37 3lce n GLY 212 Ca 0.06 -2.05 -0.18 0.00 0.00 0.00 0.00 46.02 43.84 3lce n GLY 212 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3lce s THR 213 N 1.24 2.85 0.34 2.61 -4.23 -0.73 -4.34 115.64 113.38 3lce s THR 213 Ca 0.00 -1.11 0.03 0.00 -1.18 0.00 0.00 61.69 59.43 3lce s THR 213 Cb 0.00 -2.96 0.28 0.00 1.34 0.00 0.00 72.50 71.16 3lce s THR 213 CO 0.00 0.00 1.96 -0.08 -0.54 0.00 0.00 174.62 175.96 3lce h GLU 214 N 0.75 0.85 0.00 3.99 4.81 -1.93 -0.17 114.58 122.87 3lce h GLU 214 Ca -0.40 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 58.73 3lce h GLU 214 Cb 1.28 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 3lce h GLU 214 CO 0.49 0.56 -0.84 0.66 -0.73 0.00 0.00 179.01 179.15 3lce h SER 215 N 0.87 0.00 -2.12 1.04 4.64 -2.00 -3.38 113.55 112.60 3lce h SER 215 Ca 0.31 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 61.05 3lce h SER 215 Cb 0.13 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.81 3lce h SER 215 CO -0.10 0.18 -0.81 0.59 -0.87 0.00 0.00 176.83 175.82 3lce n ASN 216 N -2.86 2.44 -4.79 4.97 3.02 -0.53 -5.11 115.26 112.39 3lce n ASN 216 Ca -0.01 -3.19 -0.31 0.00 -0.03 0.00 0.00 54.58 51.04 3lce n ASN 216 Cb 0.63 -0.65 0.07 0.00 -0.61 0.00 0.00 39.78 39.22 3lce n ASN 216 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3lce s PRO 217 N -2.15 2.60 0.51 3.52 0.04 -0.19 -1.76 135.00 137.57 3lce s PRO 217 Ca 0.39 1.06 -0.08 0.00 0.04 0.00 0.00 61.00 62.41 3lce s PRO 217 Cb 0.18 -1.94 0.12 0.00 0.04 0.00 0.00 34.50 32.90 3lce s PRO 217 CO -0.06 -1.37 0.70 0.41 0.04 0.00 0.00 177.00 176.72 3lce n GLY 218 N -1.60 -1.21 3.05 0.56 0.00 -0.03 -4.73 105.19 101.23 3lce n GLY 218 Ca 0.08 -1.71 -0.17 0.00 0.00 0.00 0.00 46.02 44.22 3lce n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lce s VAL 219 N -2.49 0.74 -0.01 1.61 0.11 -1.26 -1.09 120.40 118.02 3lce s VAL 219 Ca 0.40 -0.67 0.04 0.00 -2.93 0.00 0.00 61.98 58.82 3lce s VAL 219 Cb -0.01 -0.67 -0.01 0.00 -1.53 0.00 0.00 36.38 34.15 3lce s VAL 219 CO 0.28 0.01 -0.14 0.00 -3.33 0.00 0.00 175.10 171.92 3lce s ALA 220 N -0.61 1.17 0.16 1.54 0.00 -0.58 -0.87 121.76 122.57 3lce s ALA 220 Ca -0.00 -0.62 0.07 0.00 0.00 0.00 0.00 51.96 51.41 3lce s ALA 220 Cb -0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3lce s ALA 220 CO 0.00 0.28 -0.15 -1.58 0.00 0.00 0.00 175.76 174.31 3lce s TRP 221 N -0.37 1.63 -0.03 0.00 0.52 0.12 -1.07 118.94 119.74 3lce s TRP 221 Ca 0.05 -0.54 -0.01 0.00 0.02 0.00 0.00 56.10 55.62 3lce s TRP 221 Cb -0.06 -0.81 0.03 0.00 -1.15 0.00 0.00 33.47 31.49 3lce s TRP 221 CO -0.00 0.27 0.05 -0.46 0.02 0.00 0.00 176.95 176.82 3lce s TRP 222 N -2.39 0.02 0.09 -1.98 -0.00 -0.36 -1.56 118.94 112.76 3lce s TRP 222 Ca 0.15 0.19 0.01 0.00 -0.00 0.00 0.00 56.10 56.46 3lce s TRP 222 Cb -0.04 -0.29 -0.04 0.00 -0.00 0.00 0.00 33.47 33.11 3lce s TRP 222 CO 0.05 -0.12 -0.06 0.14 -0.00 0.00 0.00 176.95 176.96 3lce s VAL 223 N 1.36 0.62 -4.29 5.86 -7.23 -0.61 -1.03 120.40 115.08 3lce s VAL 223 Ca -0.06 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 3lce s VAL 223 Cb -0.13 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.17 3lce s VAL 223 CO -0.03 -0.89 0.00 0.61 -0.31 0.00 0.00 175.10 174.48 3lce n GLY 224 N -0.00 -0.78 3.23 2.32 0.00 -0.71 -0.94 105.19 108.31 3lce n GLY 224 Ca -0.13 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 3lce n GLY 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3lce s TRP 225 N -3.00 0.08 -0.11 1.61 -2.14 0.00 -1.22 118.94 114.16 3lce s TRP 225 Ca 0.00 -0.48 0.02 0.00 2.66 0.00 0.00 56.10 58.30 3lce s TRP 225 Cb 0.00 0.01 0.01 0.00 -3.10 0.00 0.00 33.47 30.39 3lce s TRP 225 CO 0.00 -0.58 -0.16 0.08 -2.66 0.00 0.00 176.95 173.63 3lce s VAL 226 N -3.85 1.57 -0.34 -0.66 1.01 0.54 -1.76 120.40 116.92 3lce s VAL 226 Ca 0.05 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 3lce s VAL 226 Cb 0.04 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 35.01 3lce s VAL 226 CO -0.11 0.45 0.15 -1.61 0.00 0.00 0.00 175.10 173.99 3lce s GLU 227 N 0.90 3.00 -0.16 2.72 2.02 0.03 -0.36 118.70 126.85 3lce s GLU 227 Ca -0.08 -0.94 0.01 0.00 0.02 0.00 0.00 54.97 53.97 3lce s GLU 227 Cb -0.15 -3.58 0.02 0.00 0.10 0.00 0.00 34.13 30.52 3lce s GLU 227 CO -0.01 -0.56 -0.16 0.21 0.02 0.00 0.00 175.26 174.76 3lce s LYS 228 N 1.54 2.50 4.50 1.61 2.20 -0.82 -0.60 119.74 130.68 3lce s LYS 228 Ca 0.02 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 3lce s LYS 228 Cb -0.18 -2.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.86 3lce s LYS 228 CO 0.05 -0.24 0.00 0.39 -0.36 0.00 0.00 175.35 175.19 3lce n GLU 229 N 4.72 0.00 -0.64 4.03 1.02 -0.16 -0.44 120.64 129.18 3lce n GLU 229 Ca -0.18 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.02 3lce n GLU 229 Cb 0.50 0.00 0.29 0.00 -0.02 0.00 0.00 31.44 32.21 3lce n GLU 229 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3lce n THR 230 N 0.00 2.50 -4.05 2.62 -2.24 -1.26 -4.96 114.28 106.89 3lce n THR 230 Ca 0.00 -1.81 -0.22 0.00 -2.27 0.00 0.00 64.05 59.75 3lce n THR 230 Cb 0.00 -0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 67.91 3lce n THR 230 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3lce s GLU 231 N -2.87 2.99 -0.02 -0.78 0.41 0.42 -5.12 118.70 113.73 3lce s GLU 231 Ca 0.47 -1.03 0.03 0.00 -0.41 0.00 0.00 54.97 54.03 3lce s GLU 231 Cb 0.38 -2.61 -0.00 0.00 -1.78 0.00 0.00 34.13 30.11 3lce s GLU 231 CO 0.10 0.37 -0.11 0.54 -0.49 0.00 0.00 175.26 175.67 3lce s VAL 232 N -2.13 0.89 -0.12 2.63 0.11 -1.26 -1.94 120.40 118.58 3lce s VAL 232 Ca 0.34 -0.46 0.02 0.00 -2.93 0.00 0.00 61.98 58.96 3lce s VAL 232 Cb -0.08 -0.76 0.01 0.00 -1.53 0.00 0.00 36.38 34.02 3lce s VAL 232 CO 0.26 0.26 -0.18 -0.31 -3.33 0.00 0.00 175.10 171.79 3lce s TYR 233 N -0.09 2.30 -0.08 1.54 1.51 0.51 0.17 117.35 123.21 3lce s TYR 233 Ca 0.01 -1.12 -0.11 0.00 -1.01 0.00 0.00 57.07 54.84 3lce s TYR 233 Cb -0.06 -1.61 -0.05 0.00 -0.11 0.00 0.00 41.96 40.13 3lce s TYR 233 CO 0.00 -0.54 0.28 -0.06 -1.11 0.00 0.00 175.55 174.12 3lce s PHE 234 N 0.90 3.63 0.04 2.71 0.08 0.10 -0.33 117.98 125.09 3lce s PHE 234 Ca -0.07 0.73 -0.04 0.00 0.12 0.00 0.00 56.93 57.66 3lce s PHE 234 Cb -0.15 -2.15 -0.02 0.00 -0.57 0.00 0.00 43.02 40.13 3lce s PHE 234 CO -0.02 0.61 0.06 -0.59 -0.10 0.00 0.00 175.22 175.19 3lce s PHE 235 N -0.77 0.24 -0.16 0.36 -0.12 -0.36 -1.36 117.98 115.82 3lce s PHE 235 Ca 0.19 -0.57 -0.09 0.00 -0.05 0.00 0.00 56.93 56.41 3lce s PHE 235 Cb -0.14 -0.18 0.06 0.00 -0.63 0.00 0.00 43.02 42.13 3lce s PHE 235 CO 0.08 -0.34 0.39 0.00 -0.05 0.00 0.00 175.22 175.29 3lce s ALA 236 N -2.58 -0.98 -0.03 1.99 0.00 -0.56 -1.74 121.76 117.86 3lce s ALA 236 Ca -0.05 1.46 0.05 0.00 0.00 0.00 0.00 51.96 53.41 3lce s ALA 236 Cb -0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 3lce s ALA 236 CO -0.05 -0.26 -0.19 0.12 0.00 0.00 0.00 175.76 175.39 3lce s PHE 237 N 1.40 1.76 0.05 0.00 2.19 -0.20 -0.34 117.98 122.85 3lce s PHE 237 Ca -0.09 -0.43 -0.04 0.00 0.33 0.00 0.00 56.93 56.69 3lce s PHE 237 Cb -0.09 -1.16 -0.02 0.00 -1.31 0.00 0.00 43.02 40.45 3lce s PHE 237 CO -0.12 -0.11 0.07 0.54 1.83 0.00 0.00 175.22 177.43 3lce s ASN 238 N -0.20 0.28 0.09 6.13 2.20 -0.62 -1.22 114.94 121.61 3lce s ASN 238 Ca 0.01 -0.72 -0.13 0.00 -0.94 0.00 0.00 52.86 51.09 3lce s ASN 238 Cb -0.10 0.24 0.02 0.00 -2.00 0.00 0.00 41.25 39.40 3lce s ASN 238 CO 0.01 -0.58 0.29 0.00 -2.94 0.00 0.00 177.10 173.89 3lce s MET 239 N -3.28 0.92 0.18 3.55 0.23 -0.23 -0.69 119.30 119.98 3lce s MET 239 Ca 0.01 -0.77 -0.30 0.00 -1.03 0.00 0.00 55.69 53.60 3lce s MET 239 Cb 0.03 0.39 -0.08 0.00 -1.53 0.00 0.00 34.83 33.65 3lce s MET 239 CO -0.08 -0.32 1.05 -0.51 -2.03 0.00 0.00 175.02 173.13 3lce s ASP 240 N -2.68 7.37 -0.12 -1.18 1.01 -0.12 -1.52 116.67 119.43 3lce s ASP 240 Ca 0.02 2.02 0.00 0.00 0.71 0.00 0.00 52.55 55.30 3lce s ASP 240 Cb 0.03 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.37 3lce s ASP 240 CO -0.10 -0.13 -0.11 -0.51 0.21 0.00 0.00 175.17 174.53 3lce s ILE 241 N -0.38 1.27 -0.06 0.77 -1.16 -0.25 -4.68 121.20 116.71 3lce s ILE 241 Ca 0.47 -0.46 0.09 0.00 -0.51 0.00 0.00 60.65 60.24 3lce s ILE 241 Cb -0.28 -1.23 0.13 0.00 0.61 0.00 0.00 42.46 41.70 3lce s ILE 241 CO 0.34 0.41 1.01 -0.90 -2.81 0.00 0.00 174.94 172.99 3lce n ASP 242 N 4.72 1.53 -3.62 4.50 5.68 -1.26 -0.85 116.55 127.25 3lce n ASP 242 Ca -0.15 -2.39 -0.04 0.00 -0.50 0.00 0.00 54.79 51.71 3lce n ASP 242 Cb 0.50 -0.24 -0.06 0.00 -1.14 0.00 0.00 41.12 40.19 3lce n ASP 242 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 3lce s ASN 243 N -1.74 -0.80 0.55 -1.12 3.84 -1.26 -4.66 114.94 109.75 3lce s ASN 243 Ca 0.14 1.29 0.24 0.00 0.21 0.00 0.00 52.86 54.74 3lce s ASN 243 Cb 0.13 1.92 1.50 0.00 -0.55 0.00 0.00 41.25 44.25 3lce s ASN 243 CO 0.01 -0.23 2.12 -0.08 -2.79 0.00 0.00 177.10 176.13 3lce h GLU 244 N 8.07 0.00 0.00 0.43 4.81 -1.95 -0.38 114.58 125.56 3lce h GLU 244 Ca -0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3lce h GLU 244 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3lce h GLU 244 CO 0.12 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.27 3lce n SER 245 N -4.17 0.00 -0.13 1.04 3.41 -1.26 -2.77 113.62 109.74 3lce n SER 245 Ca 0.01 0.41 0.13 0.00 -0.26 0.00 0.00 58.87 59.16 3lce n SER 245 Cb 0.27 -0.46 0.35 0.00 -0.26 0.00 0.00 64.21 64.10 3lce n SER 245 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3lce n LYS 246 N -1.46 0.47 -0.34 4.33 4.76 -0.15 -4.31 118.16 121.45 3lce n LYS 246 Ca 0.05 -0.27 0.11 0.00 -2.87 0.00 0.00 58.31 55.34 3lce n LYS 246 Cb 0.21 -1.49 0.31 0.00 -1.84 0.00 0.00 35.03 32.22 3lce n LYS 246 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3lce h LEU 247 N 0.65 0.80 -2.23 -0.35 5.85 -1.67 -0.73 115.31 117.63 3lce h LEU 247 Ca 0.00 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3lce h LEU 247 Cb 0.49 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 3lce h LEU 247 CO 0.00 0.36 -0.02 -0.65 -0.34 0.00 0.00 178.44 177.80 3lce h PRO 248 N 0.82 0.00 -0.15 5.25 0.11 -1.85 -1.40 132.00 134.79 3lce h PRO 248 Ca 0.52 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.67 3lce h PRO 248 Cb 0.73 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 3lce h PRO 248 CO -0.29 0.02 0.26 -0.07 -0.21 0.00 0.00 178.00 177.70 3lce h LEU 249 N 0.00 0.00 -1.86 2.35 3.38 -1.44 -2.14 115.31 115.60 3lce h LEU 249 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3lce h LEU 249 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3lce h LEU 249 CO 0.00 0.00 -0.14 0.08 0.09 0.00 0.00 178.44 178.48 3lce h ARG 250 N 0.00 0.00 0.01 1.13 0.11 -1.41 -0.98 114.38 113.24 3lce h ARG 250 Ca 0.07 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.78 3lce h ARG 250 Cb 0.59 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.61 3lce h ARG 250 CO -0.00 0.14 -2.34 1.63 0.10 0.00 0.00 179.97 179.50 3lce n LYS 251 N -3.79 0.67 -0.15 0.08 5.02 -0.85 -4.44 118.16 114.70 3lce n LYS 251 Ca -0.02 0.12 -0.11 0.00 -2.02 0.00 0.00 58.31 56.28 3lce n LYS 251 Cb 0.24 -1.56 -0.01 0.00 -0.02 0.00 0.00 35.03 33.68 3lce n LYS 251 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3lce h SER 252 N 0.01 0.82 0.14 4.39 4.64 -1.21 -1.49 113.55 120.84 3lce h SER 252 Ca -0.53 -0.36 -0.01 0.00 -0.47 0.00 0.00 61.79 60.42 3lce h SER 252 Cb 2.05 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 3lce h SER 252 CO -0.02 0.99 -0.07 0.40 -0.87 0.00 0.00 176.83 177.27 3lce h ILE 253 N 0.64 0.94 -0.80 0.95 2.04 -1.46 0.16 117.51 119.97 3lce h ILE 253 Ca 0.11 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 3lce h ILE 253 Cb 0.63 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 3lce h ILE 253 CO 0.04 0.07 0.40 -0.65 0.00 0.00 0.00 178.15 178.01 3lce h PRO 254 N -0.32 1.14 -0.39 2.37 0.11 -1.75 -1.46 132.00 131.69 3lce h PRO 254 Ca -0.02 -0.16 0.02 0.00 0.11 0.00 0.00 66.00 65.95 3lce h PRO 254 Cb 0.26 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.13 3lce h PRO 254 CO 0.03 0.87 0.23 1.15 -0.21 0.00 0.00 178.00 180.07 3lce h THR 255 N 1.14 1.04 -0.85 -1.15 2.02 -1.10 -0.82 112.91 113.18 3lce h THR 255 Ca 0.28 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 67.31 3lce h THR 255 Cb 0.09 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 3lce h THR 255 CO -0.04 0.09 0.57 0.11 0.37 0.00 0.00 175.52 176.61 3lce h LYS 256 N 0.47 1.09 -0.39 6.66 1.57 -0.14 0.10 116.57 125.94 3lce h LYS 256 Ca 0.16 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3lce h LYS 256 Cb 0.00 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 3lce h LYS 256 CO -0.07 0.72 0.16 0.82 -0.57 0.00 0.00 179.45 180.52 3lce h ILE 257 N 1.13 1.19 0.00 1.86 2.04 -1.10 -0.78 117.51 121.85 3lce h ILE 257 Ca 0.32 -0.57 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 3lce h ILE 257 Cb -0.08 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3lce h ILE 257 CO -0.08 0.21 -0.44 0.24 0.00 0.00 0.00 178.15 178.08 3lce h MET 258 N 0.48 0.00 -0.19 2.37 2.86 -0.57 -0.80 114.93 119.09 3lce h MET 258 Ca 0.13 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3lce h MET 258 Cb 0.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3lce h MET 258 CO -0.01 0.44 0.04 0.93 1.06 0.00 0.00 176.91 179.36 3lce h GLU 259 N 0.00 0.31 0.00 1.72 5.08 -0.63 -0.43 114.58 120.62 3lce h GLU 259 Ca -0.00 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3lce h GLU 259 Cb 0.87 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 3lce h GLU 259 CO 0.06 0.46 -0.08 0.77 -1.00 0.00 0.00 179.01 179.22 3lce h SER 260 N 0.11 0.00 0.59 1.42 0.02 -0.71 -1.58 113.55 113.41 3lce h SER 260 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3lce h SER 260 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3lce h SER 260 CO 0.00 0.08 -0.26 -0.62 -1.14 0.00 0.00 176.83 174.89 3lce n GLU 261 N -3.28 0.20 -0.88 3.45 -0.58 -0.34 -4.93 120.64 114.28 3lce n GLU 261 Ca -0.00 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 3lce n GLU 261 Cb 0.30 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 3lce n GLU 261 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3lce n GLY 262 N 1.44 0.56 0.15 0.62 0.00 -0.60 -4.92 105.19 102.44 3lce n GLY 262 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 3lce n GLY 262 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3lce h ILE 263 N 0.00 1.41 -3.59 -0.61 2.04 -1.31 -3.41 117.51 112.04 3lce h ILE 263 Ca 0.00 -1.90 -0.68 0.00 1.00 0.00 0.00 64.86 63.28 3lce h ILE 263 Cb 0.00 2.39 -0.18 0.00 -0.74 0.00 0.00 36.82 38.29 3lce h ILE 263 CO 0.00 0.55 -0.25 -0.63 0.00 0.00 0.00 178.15 177.83 3lce s ILE 264 N -3.48 5.13 0.00 -0.67 1.01 -0.99 -4.93 121.20 117.26 3lce s ILE 264 Ca -0.13 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.32 3lce s ILE 264 Cb 0.04 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.56 3lce s ILE 264 CO 0.81 -0.28 0.00 0.61 0.00 0.00 0.00 174.94 176.08 3lce n GLY 265 N 5.04 2.85 0.46 6.18 0.00 -1.26 -4.42 105.19 114.04 3lce n GLY 265 Ca -0.08 -1.93 0.06 0.00 0.00 0.00 0.00 46.02 44.07 3lce n GLY 265 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93