#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upp s GLN 2 N 0.00 3.26 -0.27 3.17 -0.21 -1.26 -5.10 119.66 119.24 1upp s GLN 2 Ca 0.00 -0.47 -0.11 0.00 0.02 0.00 0.00 55.36 54.81 1upp s GLN 2 Cb 0.00 -2.96 -0.05 0.00 1.00 0.00 0.00 33.01 31.00 1upp s GLN 2 CO 0.00 0.63 0.18 0.08 -2.12 0.00 0.00 175.29 174.06 1upp s VAL 3 N -1.37 5.25 0.15 1.09 1.01 -1.26 -5.05 120.40 120.22 1upp s VAL 3 Ca 0.29 0.15 -0.31 0.00 0.00 0.00 0.00 61.98 62.11 1upp s VAL 3 Cb -0.13 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.67 1upp s VAL 3 CO 0.22 0.26 1.47 0.86 0.00 0.00 0.00 175.10 177.91 1upp s TRP 4 N 1.69 3.15 1.03 5.22 -0.11 -1.26 -4.92 118.94 123.73 1upp s TRP 4 Ca 0.07 0.82 -0.12 0.00 1.22 0.00 0.00 56.10 58.09 1upp s TRP 4 Cb -0.16 -3.80 0.21 0.00 -1.50 0.00 0.00 33.47 28.22 1upp s TRP 4 CO 0.10 -2.85 1.08 -2.14 -4.62 0.00 0.00 176.95 168.52 1upp s PRO 5 N 1.00 0.17 -0.05 5.86 0.02 -1.26 -5.00 135.00 135.73 1upp s PRO 5 Ca 0.66 1.04 0.01 0.00 0.02 0.00 0.00 61.00 62.74 1upp s PRO 5 Cb -0.40 -1.67 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 1upp s PRO 5 CO 0.32 -3.05 -0.04 1.51 -0.33 0.00 0.00 177.00 175.41 1upp n ILE 6 N -4.47 0.32 -4.06 2.83 0.13 -1.26 -4.95 119.36 107.90 1upp n ILE 6 Ca 0.07 -0.14 -0.36 0.00 -1.10 0.00 0.00 62.75 61.22 1upp n ILE 6 Cb 0.54 -0.74 -0.07 0.00 -0.84 0.00 0.00 39.64 38.52 1upp n ILE 6 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 1upp s LEU 7 N -5.10 4.08 -1.34 9.51 1.43 -1.26 -4.52 118.68 121.48 1upp s LEU 7 Ca -0.06 0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 53.31 1upp s LEU 7 Cb 0.02 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.23 1upp s LEU 7 CO 0.14 0.38 0.95 0.59 0.23 0.00 0.00 176.35 178.65 1upp n ASN 8 N 1.91 -3.39 -0.57 2.29 3.02 -1.26 -4.92 115.26 112.34 1upp n ASN 8 Ca -0.18 -0.70 0.06 0.00 -0.03 0.00 0.00 54.58 53.73 1upp n ASN 8 Cb 0.54 -4.52 0.18 0.00 -0.61 0.00 0.00 39.78 35.37 1upp n ASN 8 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1upp n LEU 9 N -4.50 2.52 -4.60 3.41 4.77 -1.26 -5.04 117.00 112.29 1upp n LEU 9 Ca -0.15 -3.63 -0.43 0.00 -0.03 0.00 0.00 56.01 51.77 1upp n LEU 9 Cb 0.62 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1upp n LEU 9 CO 0.67 1.23 0.58 0.29 -1.33 0.00 0.00 177.39 178.83 1upp n LYS 10 N -1.06 1.38 -4.25 3.23 4.76 -1.26 -5.00 118.16 115.96 1upp n LYS 10 Ca 0.17 0.49 -0.16 0.00 -2.87 0.00 0.00 58.31 55.94 1upp n LYS 10 Cb 0.71 -1.93 -0.10 0.00 -1.84 0.00 0.00 35.03 31.87 1upp n LYS 10 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1upp s LYS 11 N -1.73 1.06 -0.25 1.97 -0.14 -1.26 -5.07 119.74 114.32 1upp s LYS 11 Ca 0.60 -1.36 0.11 0.00 -1.36 0.00 0.00 55.97 53.96 1upp s LYS 11 Cb -0.64 -0.78 0.46 0.00 -1.68 0.00 0.00 37.83 35.19 1upp s LYS 11 CO 0.59 0.12 1.19 0.66 -0.76 0.00 0.00 175.35 177.15 1upp n TYR 12 N 0.12 1.79 -4.94 3.18 4.02 -1.26 -5.10 117.16 114.98 1upp n TYR 12 Ca -0.12 -1.96 0.00 0.00 -0.01 0.00 0.00 57.90 55.81 1upp n TYR 12 Cb 0.59 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 1upp n TYR 12 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1upp n GLU 13 N -0.73 0.00 -1.68 -0.72 -0.58 -1.26 -4.59 120.64 111.08 1upp n GLU 13 Ca 0.32 0.00 -0.53 0.00 -0.42 0.00 0.00 57.16 56.52 1upp n GLU 13 Cb 0.89 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.70 1upp n GLU 13 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1upp n THR 14 N 0.00 0.28 -0.00 2.62 -1.04 -1.26 -1.71 114.28 113.16 1upp n THR 14 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1upp n THR 14 Cb 0.00 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 1upp n THR 14 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1upp n LEU 15 N 4.89 0.00 0.00 -4.42 4.77 -1.26 -4.65 117.00 116.32 1upp n LEU 15 Ca 0.23 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.33 1upp n LEU 15 Cb 0.19 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 41.87 1upp n LEU 15 CO 0.74 0.00 0.90 -1.54 -1.33 0.00 0.00 177.39 176.16 1upp n SER 16 N 0.00 0.00 -0.84 -1.43 3.41 -0.70 -1.37 113.62 112.70 1upp n SER 16 Ca 0.00 0.14 0.10 0.00 -0.26 0.00 0.00 58.87 58.85 1upp n SER 16 Cb 0.00 -0.36 0.28 0.00 -0.26 0.00 0.00 64.21 63.86 1upp n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1upp n TYR 17 N -1.36 0.43 -2.95 7.33 4.02 -1.26 -4.72 117.16 118.64 1upp n TYR 17 Ca 0.10 -0.22 -0.18 0.00 -0.01 0.00 0.00 57.90 57.59 1upp n TYR 17 Cb 0.23 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.58 1upp n TYR 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1upp s LEU 18 N -1.37 3.45 0.41 7.72 1.43 -0.47 -5.06 118.68 124.78 1upp s LEU 18 Ca 0.34 -0.47 -0.26 0.00 -1.03 0.00 0.00 54.13 52.72 1upp s LEU 18 Cb 0.19 -2.41 -0.08 0.00 0.03 0.00 0.00 46.19 43.91 1upp s LEU 18 CO 0.27 -0.99 1.26 -2.84 0.23 0.00 0.00 176.35 174.27 1upp s PRO 19 N -4.51 3.98 0.23 1.29 0.02 -1.26 -4.94 135.00 129.81 1upp s PRO 19 Ca 0.57 2.05 -0.28 0.00 0.02 0.00 0.00 61.00 63.36 1upp s PRO 19 Cb -0.09 -2.72 -0.16 0.00 0.02 0.00 0.00 34.50 31.55 1upp s PRO 19 CO 0.36 -0.45 0.74 -2.30 -0.33 0.00 0.00 177.00 175.02 1upp n PRO 20 N 0.10 0.57 -2.24 5.54 -0.02 -1.26 -4.83 135.00 132.86 1upp n PRO 20 Ca 0.04 0.20 -0.41 0.00 -2.02 0.00 0.00 63.50 61.31 1upp n PRO 20 Cb 0.44 -1.37 -0.03 0.00 -0.02 0.00 0.00 33.50 32.52 1upp n PRO 20 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1upp s LEU 21 N 1.86 4.42 0.84 2.45 1.43 -1.26 -5.02 118.68 123.40 1upp s LEU 21 Ca 0.63 2.39 -0.12 0.00 -1.03 0.00 0.00 54.13 56.00 1upp s LEU 21 Cb -0.84 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 41.86 1upp s LEU 21 CO 0.57 -0.50 1.10 0.42 0.23 0.00 0.00 176.35 178.17 1upp s THR 22 N -0.02 2.85 0.26 5.49 -4.23 -1.26 -4.75 115.64 113.98 1upp s THR 22 Ca 0.55 0.28 -0.01 0.00 -1.18 0.00 0.00 61.69 61.33 1upp s THR 22 Cb -0.36 -2.91 0.25 0.00 1.34 0.00 0.00 72.50 70.82 1upp s THR 22 CO 0.39 -0.36 1.71 0.74 -0.54 0.00 0.00 174.62 176.56 1upp h THR 23 N -1.30 0.55 -0.42 3.99 2.02 -1.99 0.01 112.91 115.77 1upp h THR 23 Ca -0.48 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 66.48 1upp h THR 23 Cb 1.28 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1upp h THR 23 CO 0.57 0.07 -0.07 0.44 0.37 0.00 0.00 175.52 176.91 1upp h ASP 24 N 0.40 0.78 -0.16 4.18 3.32 -1.99 -1.33 116.42 121.61 1upp h ASP 24 Ca 0.48 -0.35 0.05 0.00 0.02 0.00 0.00 57.03 57.23 1upp h ASP 24 Cb 0.82 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 40.10 1upp h ASP 24 CO -0.48 0.94 -0.20 1.56 -1.72 0.00 0.00 179.24 179.34 1upp h GLN 25 N 0.60 -0.23 0.14 3.56 4.20 -1.68 0.07 115.11 121.77 1upp h GLN 25 Ca 0.11 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.85 1upp h GLN 25 Cb 0.58 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.37 1upp h GLN 25 CO 0.03 -0.15 -0.50 1.25 -0.67 0.00 0.00 178.83 178.79 1upp h LEU 26 N -0.24 -1.49 -0.85 1.46 5.85 -1.03 -1.96 115.31 117.05 1upp h LEU 26 Ca 0.11 0.16 0.17 0.00 0.84 0.00 0.00 57.88 59.15 1upp h LEU 26 Cb 0.40 0.55 -0.16 0.00 0.37 0.00 0.00 40.66 41.82 1upp h LEU 26 CO -0.30 -0.55 -0.23 0.00 -0.34 0.00 0.00 178.44 177.02 1upp h ALA 27 N -0.45 0.51 -0.68 1.25 0.00 -1.03 -2.17 119.26 116.70 1upp h ALA 27 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1upp h ALA 27 Cb 0.75 0.68 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1upp h ALA 27 CO -0.27 -0.42 0.43 0.00 0.00 0.00 0.00 179.25 178.99 1upp h ARG 28 N -0.01 0.90 -0.37 0.00 2.47 -0.22 -0.02 114.38 117.13 1upp h ARG 28 Ca 0.40 -0.07 -0.07 0.00 -1.26 0.00 0.00 59.98 58.99 1upp h ARG 28 Cb 0.62 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 1upp h ARG 28 CO -0.88 0.62 -0.02 1.96 0.56 0.00 0.00 179.97 182.21 1upp h GLN 29 N 0.92 0.67 -0.76 0.04 1.08 -1.02 -1.70 115.11 114.35 1upp h GLN 29 Ca 0.25 -0.23 0.08 0.00 -1.45 0.00 0.00 58.65 57.30 1upp h GLN 29 Cb -0.07 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.24 1upp h GLN 29 CO -0.05 0.79 0.42 0.28 -0.95 0.00 0.00 178.83 179.32 1upp h VAL 30 N 0.49 0.91 -0.45 -0.54 2.07 -1.08 0.45 116.25 118.10 1upp h VAL 30 Ca 0.10 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1upp h VAL 30 Cb 0.50 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1upp h VAL 30 CO 0.02 0.13 0.11 0.44 0.02 0.00 0.00 177.57 178.30 1upp h ASP 31 N 0.72 0.68 -0.55 0.57 3.32 -0.79 -1.59 116.42 118.78 1upp h ASP 31 Ca 0.36 -0.23 0.07 0.00 0.02 0.00 0.00 57.03 57.25 1upp h ASP 31 Cb 0.31 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 1upp h ASP 31 CO -0.23 0.74 0.21 0.22 -1.72 0.00 0.00 179.24 178.46 1upp h TYR 32 N 0.60 0.38 -0.10 4.55 3.20 -1.04 0.66 116.97 125.21 1upp h TYR 32 Ca 0.14 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.07 1upp h TYR 32 Cb 0.32 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 1upp h TYR 32 CO 0.02 0.12 -0.12 1.25 -1.64 0.00 0.00 178.16 177.79 1upp h LEU 33 N 0.41 -0.38 -0.20 2.82 5.85 -0.66 -2.76 115.31 120.39 1upp h LEU 33 Ca 0.27 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.94 1upp h LEU 33 Cb 0.28 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1upp h LEU 33 CO -0.26 -0.16 -0.54 -0.07 -0.34 0.00 0.00 178.44 177.08 1upp h LEU 34 N -0.16 0.00 -0.98 2.25 3.38 0.22 -2.61 115.31 117.41 1upp h LEU 34 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1upp h LEU 34 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1upp h LEU 34 CO -0.19 0.54 -0.11 0.78 0.09 0.00 0.00 178.44 179.54 1upp h ASN 35 N 0.00 0.00 -0.29 -0.43 2.35 0.30 -1.13 115.58 116.38 1upp h ASN 35 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1upp h ASN 35 Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.70 1upp h ASN 35 CO 0.07 0.11 0.00 0.59 -1.65 0.00 0.00 177.43 176.55 1upp n ASN 36 N -3.20 2.11 -3.59 5.81 3.02 -0.99 -4.94 115.26 113.48 1upp n ASN 36 Ca 0.01 -2.13 -0.25 0.00 -0.03 0.00 0.00 54.58 52.18 1upp n ASN 36 Cb 0.42 -0.33 0.07 0.00 -0.61 0.00 0.00 39.78 39.32 1upp n ASN 36 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1upp n LYS 37 N 0.36 -7.35 -4.03 3.52 4.76 -0.43 -4.97 118.16 110.02 1upp n LYS 37 Ca 0.11 0.80 -0.23 0.00 -2.87 0.00 0.00 58.31 56.12 1upp n LYS 37 Cb 0.39 -5.82 -0.03 0.00 -1.84 0.00 0.00 35.03 27.73 1upp n LYS 37 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1upp s TRP 38 N -3.30 3.30 -0.29 2.13 0.51 -1.22 -4.93 118.94 115.14 1upp s TRP 38 Ca 0.57 -0.03 -0.13 0.00 -2.12 0.00 0.00 56.10 54.39 1upp s TRP 38 Cb -0.26 -1.52 -0.03 0.00 -0.81 0.00 0.00 33.47 30.84 1upp s TRP 38 CO 0.71 0.49 0.30 0.08 -0.51 0.00 0.00 176.95 178.02 1upp s VAL 39 N -1.96 5.23 0.32 4.03 1.01 -0.23 -4.73 120.40 124.08 1upp s VAL 39 Ca 0.33 0.26 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 1upp s VAL 39 Cb -0.09 -3.67 -0.11 0.00 0.00 0.00 0.00 36.38 32.51 1upp s VAL 39 CO 0.27 0.12 1.51 -2.16 0.00 0.00 0.00 175.10 174.84 1upp s PRO 40 N 1.92 4.16 -0.05 2.72 0.04 -1.26 -1.30 135.00 141.24 1upp s PRO 40 Ca 0.11 2.49 -0.06 0.00 0.04 0.00 0.00 61.00 63.59 1upp s PRO 40 Cb -0.16 -3.03 0.01 0.00 0.04 0.00 0.00 34.50 31.37 1upp s PRO 40 CO 0.11 -0.52 0.15 0.00 0.04 0.00 0.00 177.00 176.77 1upp s LEU 42 N -0.20 3.35 0.00 0.00 1.02 -1.26 -0.04 118.68 121.55 1upp s LEU 42 Ca -0.03 -0.27 -0.05 0.00 0.02 0.00 0.00 54.13 53.80 1upp s LEU 42 Cb -0.02 -2.07 -0.00 0.00 0.02 0.00 0.00 46.19 44.11 1upp s LEU 42 CO 0.00 0.15 0.08 -1.61 0.02 0.00 0.00 176.35 175.00 1upp s GLU 43 N -2.47 0.39 0.05 1.70 2.02 -0.84 -1.82 118.70 117.72 1upp s GLU 43 Ca 0.25 -0.39 -0.01 0.00 0.02 0.00 0.00 54.97 54.84 1upp s GLU 43 Cb -0.11 0.16 -0.04 0.00 0.10 0.00 0.00 34.13 34.24 1upp s GLU 43 CO 0.18 -0.08 -0.02 -0.59 0.02 0.00 0.00 175.26 174.76 1upp s PHE 44 N -1.22 0.49 -0.23 1.61 -0.71 0.58 -0.69 117.98 117.81 1upp s PHE 44 Ca -0.13 -1.01 -0.05 0.00 -1.04 0.00 0.00 56.93 54.70 1upp s PHE 44 Cb -0.07 -0.36 0.11 0.00 -1.21 0.00 0.00 43.02 41.49 1upp s PHE 44 CO 0.01 -0.37 0.43 -2.00 -1.34 0.00 0.00 175.22 171.95 1upp s GLU 45 N -3.70 0.36 -0.12 1.99 2.56 -0.29 -0.63 118.70 118.86 1upp s GLU 45 Ca 0.05 0.91 -0.13 0.00 0.00 0.00 0.00 54.97 55.80 1upp s GLU 45 Cb 0.06 0.14 -0.26 0.00 2.00 0.00 0.00 34.13 36.07 1upp s GLU 45 CO -0.09 -0.39 0.45 1.79 -0.56 0.00 0.00 175.26 176.45 1upp h THR 46 N 6.15 0.86 0.00 -1.70 1.35 -1.86 -1.15 112.91 116.57 1upp h THR 46 Ca -0.17 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.33 1upp h THR 46 Cb 1.13 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 70.11 1upp h THR 46 CO 0.17 0.72 -0.03 0.47 -0.25 0.00 0.00 175.52 176.61 1upp n ASP 47 N -3.83 0.08 -4.40 5.36 8.00 -1.26 -4.79 116.55 115.71 1upp n ASP 47 Ca -0.28 0.15 -0.45 0.00 0.71 0.00 0.00 54.79 54.92 1upp n ASP 47 Cb 0.93 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 1upp n ASP 47 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1upp s HIS 48 N -1.06 3.21 -0.26 1.24 3.76 -1.26 -4.88 115.29 116.04 1upp s HIS 48 Ca -0.01 -1.36 0.18 0.00 -0.15 0.00 0.00 55.06 53.73 1upp s HIS 48 Cb 0.00 -4.10 0.14 0.00 1.11 0.00 0.00 32.58 29.74 1upp s HIS 48 CO 0.01 -1.33 1.44 0.78 -0.85 0.00 0.00 174.74 174.80 1upp h GLY 49 N 9.72 0.00 -3.21 -2.22 0.00 -1.89 -3.46 103.07 102.00 1upp h GLY 49 Ca -0.02 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.87 1upp h GLY 49 CO 1.03 0.00 -0.76 -1.36 0.00 0.00 0.00 176.54 175.45 1upp s PHE 50 N -3.06 1.58 0.67 5.60 0.08 -1.26 -5.09 117.98 116.49 1upp s PHE 50 Ca 0.04 -0.55 -0.16 0.00 0.12 0.00 0.00 56.93 56.38 1upp s PHE 50 Cb 0.07 -0.79 0.01 0.00 -0.57 0.00 0.00 43.02 41.74 1upp s PHE 50 CO 0.73 0.24 1.18 0.08 -0.10 0.00 0.00 175.22 177.34 1upp s VAL 51 N -2.40 2.67 0.27 -0.44 1.01 -1.26 -4.77 120.40 115.47 1upp s VAL 51 Ca 0.15 0.35 -0.21 0.00 0.00 0.00 0.00 61.98 62.26 1upp s VAL 51 Cb -0.04 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.42 1upp s VAL 51 CO 0.05 -0.16 0.72 -0.72 0.00 0.00 0.00 175.10 174.98 1upp s TYR 52 N -1.98 -0.21 -0.43 5.22 1.13 -0.85 -4.98 117.35 115.25 1upp s TYR 52 Ca 0.73 -0.23 0.03 0.00 -1.41 0.00 0.00 57.07 56.19 1upp s TYR 52 Cb -0.27 0.70 0.12 0.00 -1.10 0.00 0.00 41.96 41.41 1upp s TYR 52 CO 0.40 -1.21 0.20 1.03 -2.51 0.00 0.00 175.55 173.47 1upp s ARG 53 N -3.90 1.46 -0.23 -3.49 0.52 -1.26 -0.88 118.95 111.16 1upp s ARG 53 Ca 0.10 -2.06 -0.15 0.00 -0.52 0.00 0.00 55.73 53.09 1upp s ARG 53 Cb -0.06 -2.72 -0.17 0.00 0.52 0.00 0.00 34.95 32.53 1upp s ARG 53 CO 0.05 -1.09 -0.02 -1.91 0.02 0.00 0.00 175.30 172.35 1upp n GLU 54 N 3.67 0.60 0.01 3.54 2.13 -1.26 -4.75 120.64 124.57 1upp n GLU 54 Ca 0.05 0.39 0.11 0.00 0.66 0.00 0.00 57.16 58.38 1upp n GLU 54 Cb 0.36 -1.63 -0.08 0.00 0.27 0.00 0.00 31.44 30.36 1upp n GLU 54 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1upp n HIS 55 N -4.17 0.08 -3.55 4.31 8.25 -1.26 -4.96 115.22 113.92 1upp n HIS 55 Ca -0.42 0.02 -0.13 0.00 -0.26 0.00 0.00 57.72 56.94 1upp n HIS 55 Cb 0.82 -0.26 -0.05 0.00 1.12 0.00 0.00 29.99 31.62 1upp n HIS 55 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1upp s HIS 56 N -3.19 -0.47 -0.10 4.41 2.46 -1.26 -5.05 115.29 112.09 1upp s HIS 56 Ca 0.03 0.76 0.13 0.00 0.47 0.00 0.00 55.06 56.45 1upp s HIS 56 Cb 0.15 0.45 0.24 0.00 -0.13 0.00 0.00 32.58 33.28 1upp s HIS 56 CO 0.85 -0.47 1.12 0.09 -2.47 0.00 0.00 174.74 173.87 1upp n ASN 57 N 0.68 1.56 -4.76 9.88 3.02 -1.26 -4.82 115.26 119.55 1upp n ASN 57 Ca -0.13 -2.83 -0.35 0.00 -0.03 0.00 0.00 54.58 51.23 1upp n ASN 57 Cb 0.58 -0.37 0.03 0.00 -0.61 0.00 0.00 39.78 39.40 1upp n ASN 57 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1upp s SER 58 N -2.37 5.33 -0.07 6.41 1.04 -1.26 -4.92 113.70 117.85 1upp s SER 58 Ca 0.24 2.28 -0.35 0.00 0.48 0.00 0.00 55.95 58.61 1upp s SER 58 Cb 0.22 -2.59 -0.17 0.00 0.10 0.00 0.00 66.02 63.59 1upp s SER 58 CO -0.00 -1.49 0.98 -2.65 0.98 0.00 0.00 173.24 171.05 1upp n PRO 59 N -1.61 0.00 0.00 4.02 -0.02 -1.26 -1.58 135.00 134.55 1upp n PRO 59 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1upp n PRO 59 Cb 0.50 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 1upp n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1upp n GLY 60 N 1.62 2.49 3.56 -1.23 0.00 -1.26 -4.99 105.19 105.38 1upp n GLY 60 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1upp n GLY 60 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1upp s TYR 61 N -2.46 3.20 0.03 1.61 6.14 -0.61 -5.05 117.35 120.20 1upp s TYR 61 Ca 0.00 0.21 0.04 0.00 0.64 0.00 0.00 57.07 57.95 1upp s TYR 61 Cb 0.00 -2.84 -0.02 0.00 0.42 0.00 0.00 41.96 39.52 1upp s TYR 61 CO 0.00 -0.48 -0.11 0.71 0.64 0.00 0.00 175.55 176.31 1upp s TYR 62 N 2.30 0.99 0.68 4.97 2.02 -1.26 -4.70 117.35 122.35 1upp s TYR 62 Ca 0.18 -0.34 -0.04 0.00 -0.37 0.00 0.00 57.07 56.49 1upp s TYR 62 Cb -0.16 -0.59 0.07 0.00 -0.40 0.00 0.00 41.96 40.88 1upp s TYR 62 CO 0.12 0.00 0.96 -0.51 -1.57 0.00 0.00 175.55 174.56 1upp s ASP 63 N -1.05 4.79 0.00 2.29 1.01 -0.06 -4.47 116.67 119.19 1upp s ASP 63 Ca -0.01 0.22 0.00 0.00 0.71 0.00 0.00 52.55 53.47 1upp s ASP 63 Cb -0.07 -0.87 0.00 0.00 1.01 0.00 0.00 42.92 42.99 1upp s ASP 63 CO 0.01 -1.57 0.00 0.61 0.21 0.00 0.00 175.17 174.43 1upp n GLY 64 N -2.80 0.81 0.13 0.21 0.00 -1.26 -2.00 105.19 100.28 1upp n GLY 64 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 1upp n GLY 64 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1upp h ARG 65 N 2.41 -0.20 -6.31 1.61 3.08 -1.93 -3.42 114.38 109.62 1upp h ARG 65 Ca 0.00 0.01 -0.55 0.00 0.07 0.00 0.00 59.98 59.52 1upp h ARG 65 Cb 0.01 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1upp h ARG 65 CO 0.00 0.24 0.97 0.71 -1.07 0.00 0.00 179.97 180.82 1upp s TYR 66 N -3.48 2.44 0.09 3.04 2.02 -1.26 -5.04 117.35 115.15 1upp s TYR 66 Ca -0.13 0.52 0.01 0.00 -0.37 0.00 0.00 57.07 57.10 1upp s TYR 66 Cb 0.00 -3.79 0.01 0.00 -0.40 0.00 0.00 41.96 37.79 1upp s TYR 66 CO 0.49 -3.12 0.12 0.91 -1.57 0.00 0.00 175.55 172.38 1upp n TRP 67 N 6.26 -2.95 -4.49 2.71 7.02 -1.26 -5.10 117.44 119.63 1upp n TRP 67 Ca 0.15 -0.30 -0.32 0.00 -1.02 0.00 0.00 57.50 56.01 1upp n TRP 67 Cb 0.43 -0.08 -0.11 0.00 -2.42 0.00 0.00 31.31 29.13 1upp n TRP 67 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1upp s THR 68 N 0.39 3.63 -0.10 -0.99 -1.32 0.20 -4.88 115.64 112.57 1upp s THR 68 Ca 0.09 -0.74 -0.30 0.00 -1.21 0.00 0.00 61.69 59.53 1upp s THR 68 Cb -0.01 -2.56 -0.01 0.00 -1.51 0.00 0.00 72.50 68.41 1upp s THR 68 CO 0.06 0.42 1.02 -0.32 -2.21 0.00 0.00 174.62 173.59 1upp s MET 69 N -1.33 4.42 -0.33 7.08 1.75 -1.26 -0.31 119.30 129.32 1upp s MET 69 Ca 0.16 1.41 -0.29 0.00 -1.25 0.00 0.00 55.69 55.73 1upp s MET 69 Cb -0.11 -3.54 -0.01 0.00 2.84 0.00 0.00 34.83 34.01 1upp s MET 69 CO 0.07 -0.32 1.56 -0.46 -0.65 0.00 0.00 175.02 175.22 1upp s TRP 70 N 1.99 2.19 0.00 4.11 -0.11 -0.76 -4.91 118.94 121.45 1upp s TRP 70 Ca 0.49 0.65 0.00 0.00 1.22 0.00 0.00 56.10 58.46 1upp s TRP 70 Cb -0.19 -4.14 0.00 0.00 -1.50 0.00 0.00 33.47 27.64 1upp s TRP 70 CO 0.19 -2.46 0.00 1.63 -4.62 0.00 0.00 176.95 171.68 1upp n LYS 71 N 8.01 0.00 -4.45 5.86 5.02 -1.26 -4.53 118.16 126.81 1upp n LYS 71 Ca 0.19 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.22 1upp n LYS 71 Cb 0.47 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.38 1upp n LYS 71 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1upp s LEU 72 N 0.00 2.87 0.17 -0.35 1.43 -1.26 -5.07 118.68 116.47 1upp s LEU 72 Ca 0.00 -1.13 -0.34 0.00 -1.03 0.00 0.00 54.13 51.63 1upp s LEU 72 Cb 0.00 -1.15 -0.15 0.00 0.03 0.00 0.00 46.19 44.92 1upp s LEU 72 CO 0.00 -0.27 1.43 -2.65 0.23 0.00 0.00 176.35 175.09 1upp n PRO 73 N -0.91 1.80 -1.87 1.29 -0.02 -1.26 -4.80 135.00 129.23 1upp n PRO 73 Ca -0.04 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 1upp n PRO 73 Cb 0.64 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1upp n PRO 73 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1upp n MET 74 N 2.63 2.92 -1.80 -0.52 2.81 0.70 -4.97 117.12 118.90 1upp n MET 74 Ca 0.15 -2.73 -0.33 0.00 -1.81 0.00 0.00 57.70 52.99 1upp n MET 74 Cb 0.27 -3.30 0.04 0.00 -0.71 0.00 0.00 33.22 29.52 1upp n MET 74 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1upp s PHE 75 N 3.24 2.63 0.00 2.03 0.08 -1.26 -2.59 117.98 122.10 1upp s PHE 75 Ca 0.48 1.55 0.00 0.00 0.12 0.00 0.00 56.93 59.08 1upp s PHE 75 Cb 0.12 -3.17 0.00 0.00 -0.57 0.00 0.00 43.02 39.40 1upp s PHE 75 CO -0.06 -1.67 0.00 0.41 -0.10 0.00 0.00 175.22 173.80 1upp n GLY 76 N -0.48 2.36 3.61 4.36 0.00 -1.26 -4.98 105.19 108.81 1upp n GLY 76 Ca 0.10 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.59 1upp n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upp n THR 78 N 2.91 0.00 -4.26 0.00 -2.24 -1.26 -4.99 114.28 104.44 1upp n THR 78 Ca 0.20 -0.38 -0.34 0.00 -2.27 0.00 0.00 64.05 61.26 1upp n THR 78 Cb 0.17 1.20 -0.15 0.00 -2.10 0.00 0.00 70.33 69.45 1upp n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1upp s ASP 79 N -0.09 3.64 0.36 3.42 2.15 -1.26 -4.99 116.67 119.91 1upp s ASP 79 Ca 0.00 -0.51 0.14 0.00 0.43 0.00 0.00 52.55 52.61 1upp s ASP 79 Cb 0.00 -1.58 0.69 0.00 -0.30 0.00 0.00 42.92 41.74 1upp s ASP 79 CO 0.00 0.03 1.79 1.55 -0.17 0.00 0.00 175.17 178.37 1upp h PRO 80 N 7.69 0.00 -0.78 4.34 0.13 -1.96 -2.64 132.00 138.78 1upp h PRO 80 Ca -0.39 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.70 1upp h PRO 80 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 1upp h PRO 80 CO 0.60 0.41 0.34 0.00 -0.23 0.00 0.00 178.00 179.11 1upp h ALA 81 N 1.59 1.12 -0.34 -0.56 0.00 -1.98 -1.29 119.26 117.80 1upp h ALA 81 Ca -0.00 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1upp h ALA 81 Cb 0.76 -0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 1upp h ALA 81 CO 0.05 0.64 -0.19 1.96 0.00 0.00 0.00 179.25 181.71 1upp h GLN 82 N 1.13 -0.14 -0.36 0.00 4.20 -1.90 0.48 115.11 118.52 1upp h GLN 82 Ca 0.27 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.95 1upp h GLN 82 Cb 0.17 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1upp h GLN 82 CO -0.03 -0.09 0.09 0.28 -0.67 0.00 0.00 178.83 178.41 1upp h VAL 83 N -0.15 1.22 -0.27 -0.54 2.07 -1.48 -0.80 116.25 116.30 1upp h VAL 83 Ca 0.17 -0.74 -0.09 0.00 0.82 0.00 0.00 66.70 66.86 1upp h VAL 83 Cb 0.41 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1upp h VAL 83 CO -0.43 0.25 -0.21 -0.07 0.02 0.00 0.00 177.57 177.13 1upp h LEU 84 N 0.42 0.49 0.22 2.57 3.38 -0.87 0.11 115.31 121.63 1upp h LEU 84 Ca 0.11 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1upp h LEU 84 Cb 0.29 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1upp h LEU 84 CO 0.00 0.71 -0.18 0.78 0.09 0.00 0.00 178.44 179.84 1upp h ASN 85 N 0.44 -0.47 -1.00 -0.43 2.35 0.29 -0.89 115.58 115.87 1upp h ASN 85 Ca 0.07 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1upp h ASN 85 Cb 0.62 0.16 -0.06 0.00 0.05 0.00 0.00 38.32 39.09 1upp h ASN 85 CO 0.04 -0.28 0.66 -0.33 -1.65 0.00 0.00 177.43 175.87 1upp h GLU 86 N -0.41 1.26 -0.39 0.81 4.39 -0.59 -0.13 114.58 119.52 1upp h GLU 86 Ca -0.01 -0.08 0.08 0.00 0.34 0.00 0.00 59.36 59.70 1upp h GLU 86 Cb 0.37 -0.28 -0.09 0.00 -0.10 0.00 0.00 28.75 28.65 1upp h GLU 86 CO -0.02 0.83 -0.22 1.25 -1.16 0.00 0.00 179.01 179.69 1upp h LEU 87 N 1.30 -0.74 -0.71 1.33 5.85 -0.39 0.15 115.31 122.09 1upp h LEU 87 Ca 0.39 0.16 0.03 0.00 0.84 0.00 0.00 57.88 59.30 1upp h LEU 87 Cb -0.05 0.38 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1upp h LEU 87 CO -0.11 -0.25 0.45 -0.33 -0.34 0.00 0.00 178.44 177.86 1upp h GLU 88 N -0.16 0.86 0.34 1.25 4.39 0.34 -0.85 114.58 120.75 1upp h GLU 88 Ca 0.19 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1upp h GLU 88 Cb 0.45 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1upp h GLU 88 CO -0.48 0.57 -0.26 1.49 -1.16 0.00 0.00 179.01 179.17 1upp h GLU 89 N 0.88 -0.57 -0.46 2.33 4.81 -0.69 -1.23 114.58 119.64 1upp h GLU 89 Ca 0.29 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.64 1upp h GLU 89 Cb 0.01 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.45 1upp h GLU 89 CO -0.11 -0.38 0.03 0.00 -0.73 0.00 0.00 179.01 177.82 1upp h LYS 91 N 0.15 0.55 -0.37 0.00 1.57 -1.08 0.71 116.57 118.09 1upp h LYS 91 Ca 0.23 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.86 1upp h LYS 91 Cb 0.33 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1upp h LYS 91 CO -0.35 0.36 -0.21 1.57 -0.57 0.00 0.00 179.45 180.24 1upp h LYS 92 N 0.56 0.80 -0.10 3.15 5.09 -0.12 -2.45 116.57 123.51 1upp h LYS 92 Ca 0.37 -0.36 -0.13 0.00 0.09 0.00 0.00 60.65 60.61 1upp h LYS 92 Cb 0.44 -0.02 -0.01 0.00 0.10 0.00 0.00 32.23 32.74 1upp h LYS 92 CO -0.30 0.99 -0.52 1.49 -2.09 0.00 0.00 179.45 179.01 1upp h GLU 93 N 0.59 0.28 -2.33 0.07 4.81 -0.79 -3.39 114.58 113.83 1upp h GLU 93 Ca 0.08 -0.17 -0.59 0.00 -0.13 0.00 0.00 59.36 58.56 1upp h GLU 93 Cb 0.77 0.02 -0.39 0.00 0.63 0.00 0.00 28.75 29.77 1upp h GLU 93 CO 0.06 0.74 -0.92 0.66 -0.73 0.00 0.00 179.01 178.82 1upp n TYR 94 N -3.94 0.32 0.57 0.92 4.01 0.24 -4.94 117.16 114.35 1upp n TYR 94 Ca -0.02 -3.62 0.13 0.00 -0.16 0.00 0.00 57.90 54.23 1upp n TYR 94 Cb 0.56 -0.15 0.41 0.00 -0.31 0.00 0.00 39.34 39.86 1upp n TYR 94 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1upp h PRO 95 N 4.91 0.00 -0.70 -0.72 0.13 -1.64 -2.74 132.00 131.23 1upp h PRO 95 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1upp h PRO 95 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1upp h PRO 95 CO 0.50 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.36 1upp n ASN 96 N -2.32 4.17 -4.88 1.44 3.02 -1.26 -4.58 115.26 110.85 1upp n ASN 96 Ca 0.05 -2.13 -0.36 0.00 -0.03 0.00 0.00 54.58 52.11 1upp n ASN 96 Cb 0.40 -0.51 -0.06 0.00 -0.61 0.00 0.00 39.78 39.01 1upp n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1upp s ALA 97 N -1.25 3.90 0.14 5.41 0.00 -1.03 -4.69 121.76 124.23 1upp s ALA 97 Ca 0.49 -0.69 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 1upp s ALA 97 Cb 0.27 -1.93 -0.07 0.00 0.00 0.00 0.00 23.12 21.39 1upp s ALA 97 CO 0.30 0.67 1.26 -0.06 0.00 0.00 0.00 175.76 177.93 1upp s PHE 98 N -1.13 3.36 -0.07 0.00 0.40 -0.44 -3.94 117.98 116.16 1upp s PHE 98 Ca 0.19 1.26 0.05 0.00 -0.60 0.00 0.00 56.93 57.83 1upp s PHE 98 Cb -0.12 -3.51 -0.01 0.00 0.51 0.00 0.00 43.02 39.88 1upp s PHE 98 CO 0.09 -1.59 -0.22 0.42 0.70 0.00 0.00 175.22 174.63 1upp s ILE 99 N 0.51 2.31 0.11 0.64 1.01 0.39 -1.14 121.20 125.03 1upp s ILE 99 Ca 0.57 -0.97 0.08 0.00 0.00 0.00 0.00 60.65 60.34 1upp s ILE 99 Cb -0.33 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 1upp s ILE 99 CO 0.34 0.57 -0.21 0.00 0.00 0.00 0.00 174.94 175.64 1upp s ARG 100 N -0.16 1.14 -0.16 2.79 1.70 0.14 -1.20 118.95 123.19 1upp s ARG 100 Ca -0.03 -1.19 -0.07 0.00 -0.47 0.00 0.00 55.73 53.97 1upp s ARG 100 Cb -0.14 -1.38 -0.04 0.00 -0.57 0.00 0.00 34.95 32.82 1upp s ARG 100 CO 0.04 0.32 0.07 0.42 -1.08 0.00 0.00 175.30 175.07 1upp s ILE 101 N -1.28 4.91 0.22 4.99 1.01 -0.57 -1.98 121.20 128.50 1upp s ILE 101 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 60.65 60.81 1upp s ILE 101 Cb -0.09 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.14 1upp s ILE 101 CO 0.05 0.50 -0.15 0.27 0.00 0.00 0.00 174.94 175.60 1upp s ILE 102 N -0.01 1.88 -0.12 2.92 -4.36 0.95 -1.81 121.20 120.65 1upp s ILE 102 Ca 0.07 -2.25 -0.01 0.00 -0.26 0.00 0.00 60.65 58.20 1upp s ILE 102 Cb -0.12 -2.10 0.03 0.00 1.25 0.00 0.00 42.46 41.52 1upp s ILE 102 CO 0.01 -0.55 -0.04 -0.83 0.24 0.00 0.00 174.94 173.76 1upp s GLY 103 N -3.36 0.75 -0.14 6.27 0.00 -0.00 -1.42 107.32 109.43 1upp s GLY 103 Ca 0.24 -0.50 -0.17 0.00 0.00 0.00 0.00 44.72 44.29 1upp s GLY 103 CO 0.08 0.96 0.45 -1.36 0.00 0.00 0.00 173.10 173.23 1upp s PHE 104 N 1.77 3.48 -0.29 1.90 0.08 -0.42 -1.35 117.98 123.15 1upp s PHE 104 Ca 0.04 0.82 -0.15 0.00 0.12 0.00 0.00 56.93 57.76 1upp s PHE 104 Cb -0.13 -2.53 -0.03 0.00 -0.57 0.00 0.00 43.02 39.76 1upp s PHE 104 CO -0.07 0.14 0.38 0.34 -0.10 0.00 0.00 175.22 175.91 1upp s ASP 105 N 0.67 6.24 0.14 1.36 -1.08 -0.59 -1.06 116.67 122.34 1upp s ASP 105 Ca 0.24 0.14 0.27 0.00 -0.52 0.00 0.00 52.55 52.68 1upp s ASP 105 Cb -0.15 -2.21 0.96 0.00 -1.46 0.00 0.00 42.92 40.06 1upp s ASP 105 CO 0.09 -0.24 1.83 -1.54 0.52 0.00 0.00 175.17 175.82 1upp n SER 106 N 5.38 0.53 0.11 -0.34 3.41 -1.26 -1.22 113.62 120.23 1upp n SER 106 Ca -0.08 0.55 -0.19 0.00 -0.26 0.00 0.00 58.87 58.89 1upp n SER 106 Cb 0.50 -0.69 -0.14 0.00 -0.26 0.00 0.00 64.21 63.62 1upp n SER 106 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1upp h ASN 107 N 0.00 0.60 -0.01 4.04 2.35 -1.96 -3.26 115.58 117.33 1upp h ASN 107 Ca 0.00 -0.61 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 1upp h ASN 107 Cb 0.65 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1upp h ASN 107 CO 0.00 1.47 -0.40 0.54 -1.65 0.00 0.00 177.43 177.39 1upp n ARG 108 N -3.63 1.48 -4.16 0.81 1.74 -1.24 -4.98 116.66 106.67 1upp n ARG 108 Ca -0.11 -0.88 -0.30 0.00 -0.77 0.00 0.00 57.85 55.78 1upp n ARG 108 Cb 1.03 -1.36 -0.05 0.00 -1.02 0.00 0.00 32.46 31.05 1upp n ARG 108 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1upp n GLU 109 N -0.09 -2.26 -4.72 5.56 2.13 -0.36 -4.98 120.64 115.92 1upp n GLU 109 Ca 0.08 0.27 -0.25 0.00 0.66 0.00 0.00 57.16 57.91 1upp n GLU 109 Cb 0.39 -4.29 -0.14 0.00 0.27 0.00 0.00 31.44 27.66 1upp n GLU 109 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1upp s VAL 110 N -3.96 1.59 0.04 6.31 1.01 -1.02 -4.98 120.40 119.38 1upp s VAL 110 Ca 0.17 -1.08 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 1upp s VAL 110 Cb -0.10 -1.37 -0.07 0.00 0.00 0.00 0.00 36.38 34.85 1upp s VAL 110 CO 0.94 0.26 1.46 -1.10 0.00 0.00 0.00 175.10 176.67 1upp s GLN 111 N -0.96 4.27 -0.01 2.72 -0.21 -1.26 -1.55 119.66 122.66 1upp s GLN 111 Ca 0.07 2.08 0.12 0.00 0.02 0.00 0.00 55.36 57.65 1upp s GLN 111 Cb -0.08 -3.52 -0.18 0.00 1.00 0.00 0.00 33.01 30.23 1upp s GLN 111 CO 0.01 -0.59 0.29 0.00 -2.12 0.00 0.00 175.29 172.88 1upp s ILE 113 N -2.71 2.05 -0.30 0.00 -1.09 -1.18 -4.95 121.20 113.03 1upp s ILE 113 Ca -0.03 -1.37 -0.15 0.00 -2.23 0.00 0.00 60.65 56.87 1upp s ILE 113 Cb 0.08 -1.76 0.16 0.00 -1.58 0.00 0.00 42.46 39.36 1upp s ILE 113 CO 0.49 0.32 0.98 -0.55 -1.23 0.00 0.00 174.94 174.95 1upp s SER 114 N -1.26 -0.59 0.12 3.58 0.15 -1.26 -0.82 113.70 113.62 1upp s SER 114 Ca 0.11 0.82 -0.20 0.00 0.70 0.00 0.00 55.95 57.38 1upp s SER 114 Cb -0.10 1.62 0.05 0.00 -1.71 0.00 0.00 66.02 65.89 1upp s SER 114 CO 0.02 -0.12 0.50 0.72 1.20 0.00 0.00 173.24 175.57 1upp s PHE 115 N 2.32 -0.38 0.08 3.44 -0.71 -0.75 -4.45 117.98 117.53 1upp s PHE 115 Ca -0.03 0.19 -0.28 0.00 -1.04 0.00 0.00 56.93 55.77 1upp s PHE 115 Cb -0.06 0.38 -0.05 0.00 -1.21 0.00 0.00 43.02 42.08 1upp s PHE 115 CO -0.17 -0.74 0.90 -1.50 -1.34 0.00 0.00 175.22 172.37 1upp s ILE 116 N -3.42 4.61 -0.11 -4.49 1.10 -1.26 -1.52 121.20 116.11 1upp s ILE 116 Ca 0.00 1.92 0.02 0.00 -0.51 0.00 0.00 60.65 62.09 1upp s ILE 116 Cb 0.00 -4.25 -0.03 0.00 0.15 0.00 0.00 42.46 38.33 1upp s ILE 116 CO -0.10 0.32 0.10 0.00 -2.11 0.00 0.00 174.94 173.15 1upp n ALA 117 N 2.89 2.30 -3.64 1.50 0.00 -0.34 -4.89 120.51 118.33 1upp n ALA 117 Ca 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.36 1upp n ALA 117 Cb 0.50 -0.09 -0.07 0.00 0.00 0.00 0.00 19.45 19.79 1upp n ALA 117 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1upp s TYR 118 N -1.31 -0.58 0.12 0.00 5.04 -0.96 -4.96 117.35 114.70 1upp s TYR 118 Ca 0.01 1.17 0.10 0.00 -2.44 0.00 0.00 57.07 55.90 1upp s TYR 118 Cb 0.02 0.35 -0.04 0.00 0.35 0.00 0.00 41.96 42.64 1upp s TYR 118 CO 0.10 -0.29 -0.22 0.15 -1.34 0.00 0.00 175.55 173.95 1upp s LYS 119 N 1.33 1.63 0.76 4.97 1.02 -1.26 -0.46 119.74 127.73 1upp s LYS 119 Ca -0.09 -1.25 -0.13 0.00 0.02 0.00 0.00 55.97 54.53 1upp s LYS 119 Cb -0.04 -2.02 0.18 0.00 -0.52 0.00 0.00 37.83 35.43 1upp s LYS 119 CO -0.15 0.47 0.80 -0.35 -0.92 0.00 0.00 175.35 175.20 1upp n PRO 120 N 0.88 -1.81 -2.41 -1.68 -0.04 -1.25 -4.88 135.00 123.80 1upp n PRO 120 Ca -0.17 -1.27 -0.42 0.00 -0.04 0.00 0.00 63.50 61.61 1upp n PRO 120 Cb 0.53 -1.03 -0.03 0.00 -0.04 0.00 0.00 33.50 32.93 1upp n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1upp s ALA 121 N -3.41 3.45 0.00 0.55 0.00 -1.26 -2.46 121.76 118.64 1upp s ALA 121 Ca 0.49 0.77 0.00 0.00 0.00 0.00 0.00 51.96 53.22 1upp s ALA 121 Cb -0.03 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1upp s ALA 121 CO 0.36 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1upp n GLY 122 N 3.33 0.74 0.00 0.00 0.00 -1.26 -5.16 105.19 102.84 1upp n GLY 122 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1upp n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60