#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpi n ASN 2 N 0.00 0.00 -4.01 7.83 3.02 -1.26 -5.16 115.26 115.67 2rpi n ASN 2 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.24 2rpi n ASN 2 Cb 0.00 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.25 2rpi n ASN 2 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2rpi n PRO 3 N -0.69 -0.70 0.07 3.52 -0.02 -1.26 -4.94 135.00 130.97 2rpi n PRO 3 Ca 0.00 -0.20 -0.22 0.00 -2.02 0.00 0.00 63.50 61.06 2rpi n PRO 3 Cb 0.00 -1.25 -0.15 0.00 -0.02 0.00 0.00 33.50 32.09 2rpi n PRO 3 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2rpi h SER 4 N -1.58 0.56 0.00 2.55 0.02 -2.01 -3.41 113.55 109.67 2rpi h SER 4 Ca -0.38 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 59.72 2rpi h SER 4 Cb 1.18 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.54 2rpi h SER 4 CO 0.23 1.72 0.00 -2.65 -1.14 0.00 0.00 176.83 174.99 2rpi n PRO 5 N -3.55 0.00 0.15 3.45 -0.02 -1.26 -4.91 135.00 128.86 2rpi n PRO 5 Ca -0.23 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2rpi n PRO 5 Cb 1.07 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.55 2rpi n PRO 5 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2rpi n ARG 6 N -0.73 0.00 -3.15 -0.52 1.74 -1.26 -5.10 116.66 107.64 2rpi n ARG 6 Ca 0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 2rpi n ARG 6 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 2rpi n ARG 6 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2rpi s LYS 7 N -1.83 0.14 -0.16 5.56 2.20 -1.26 -4.73 119.74 119.67 2rpi s LYS 7 Ca 0.00 0.19 -0.29 0.00 -0.36 0.00 0.00 55.97 55.50 2rpi s LYS 7 Cb 0.00 0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.41 2rpi s LYS 7 CO 0.00 -0.23 1.08 0.50 -0.36 0.00 0.00 175.35 176.34 2rpi s ARG 8 N 2.96 4.32 -0.13 4.03 3.52 -1.26 -1.72 118.95 130.68 2rpi s ARG 8 Ca 0.16 1.45 -0.02 0.00 -0.13 0.00 0.00 55.73 57.18 2rpi s ARG 8 Cb -0.05 -3.61 -0.03 0.00 -1.56 0.00 0.00 34.95 29.70 2rpi s ARG 8 CO -0.18 -0.51 -0.04 0.08 -0.81 0.00 0.00 175.30 173.83 2rpi s VAL 9 N 2.72 3.86 -1.08 7.11 1.01 -0.79 -4.93 120.40 128.29 2rpi s VAL 9 Ca 0.48 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.94 2rpi s VAL 9 Cb -0.18 -2.66 0.19 0.00 0.00 0.00 0.00 36.38 33.73 2rpi s VAL 9 CO 0.13 0.53 1.23 0.00 0.00 0.00 0.00 175.10 176.99 2rpi s ALA 10 N 0.00 4.02 -0.30 5.51 0.00 -1.26 0.12 121.76 129.85 2rpi s ALA 10 Ca 0.00 -3.32 -0.11 0.00 0.00 0.00 0.00 51.96 48.53 2rpi s ALA 10 Cb -0.13 -3.93 -0.04 0.00 0.00 0.00 0.00 23.12 19.02 2rpi s ALA 10 CO 0.03 -2.65 0.20 -1.17 0.00 0.00 0.00 175.76 172.16 2rpi s LEU 11 N 1.10 4.14 -0.48 0.00 0.20 -1.20 -4.99 118.68 117.45 2rpi s LEU 11 Ca 0.35 -0.13 -0.18 0.00 0.69 0.00 0.00 54.13 54.86 2rpi s LEU 11 Cb -0.05 -2.12 0.05 0.00 -0.43 0.00 0.00 46.19 43.64 2rpi s LEU 11 CO -0.05 -0.10 0.55 -0.36 -0.29 0.00 0.00 176.35 176.10 2rpi s PHE 12 N 1.74 3.11 -1.04 5.38 0.40 -1.26 -0.71 117.98 125.61 2rpi s PHE 12 Ca 0.07 -0.53 -0.25 0.00 -0.60 0.00 0.00 56.93 55.62 2rpi s PHE 12 Cb -0.16 -3.32 -0.14 0.00 0.51 0.00 0.00 43.02 39.90 2rpi s PHE 12 CO 0.11 -0.91 2.09 0.99 0.70 0.00 0.00 175.22 178.19 2rpi s THR 13 N 2.38 3.25 -0.67 0.64 2.01 0.78 -4.72 115.64 119.30 2rpi s THR 13 Ca 0.13 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 61.81 2rpi s THR 13 Cb -0.19 -4.00 0.34 0.00 0.01 0.00 0.00 72.50 68.66 2rpi s THR 13 CO 0.12 -0.47 1.20 -0.90 -0.69 0.00 0.00 174.62 173.88 2rpi n ASP 14 N 17.05 5.27 0.00 3.53 5.75 -1.26 -4.55 116.55 142.35 2rpi n ASP 14 Ca 0.43 -3.70 0.00 0.00 -0.01 0.00 0.00 54.79 51.51 2rpi n ASP 14 Cb 0.46 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 2rpi n ASP 14 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2rpi n GLY 15 N -0.24 -0.09 0.45 6.12 0.00 -1.26 -4.92 105.19 105.24 2rpi n GLY 15 Ca 0.36 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2rpi n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rpi n ALA 16 N -1.80 0.00 -1.64 4.61 0.00 -1.26 -5.00 120.51 115.42 2rpi n ALA 16 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2rpi n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2rpi n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rpi n ALA 17 N -2.86 -3.03 -0.26 0.00 0.00 -1.26 -5.02 120.51 108.09 2rpi n ALA 17 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2rpi n ALA 17 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.18 2rpi n ALA 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2rpi n LEU 18 N -0.21 0.00 -4.39 0.00 -0.00 -1.26 -4.76 117.00 106.38 2rpi n LEU 18 Ca 0.01 -0.03 -0.37 0.00 -0.00 0.00 0.00 56.01 55.61 2rpi n LEU 18 Cb 0.03 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 43.50 2rpi n LEU 18 CO 0.05 0.30 -0.17 0.61 -0.00 0.00 0.00 177.39 178.18 2rpi n GLY 19 N 0.00 -2.08 0.32 1.47 0.00 -1.26 -4.69 105.19 98.95 2rpi n GLY 19 Ca 0.00 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.76 2rpi n GLY 19 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2rpi h ASN 20 N -0.30 -0.48 0.22 1.61 -0.73 -2.03 0.40 115.58 114.28 2rpi h ASN 20 Ca -0.45 0.25 -0.01 0.00 1.87 0.00 0.00 56.30 57.97 2rpi h ASN 20 Cb 1.37 0.45 0.00 0.00 0.27 0.00 0.00 38.32 40.41 2rpi h ASN 20 CO 0.41 -0.29 -0.11 -0.65 -0.37 0.00 0.00 177.43 176.42 2rpi h PRO 21 N 0.04 -0.29 0.00 6.67 0.11 -2.04 -3.50 132.00 132.99 2rpi h PRO 21 Ca 0.53 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.66 2rpi h PRO 21 Cb 1.02 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2rpi h PRO 21 CO -0.85 -0.08 0.00 0.41 -0.21 0.00 0.00 178.00 177.27 2rpi n GLY 22 N -0.79 3.01 0.09 -0.55 0.00 0.14 -4.80 105.19 102.30 2rpi n GLY 22 Ca -0.09 -1.93 0.04 0.00 0.00 0.00 0.00 46.02 44.04 2rpi n GLY 22 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2rpi n PRO 23 N -1.45 0.05 0.07 1.61 -0.02 -1.26 -3.18 135.00 130.82 2rpi n PRO 23 Ca 0.00 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2rpi n PRO 23 Cb 0.00 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 2rpi n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rpi n GLY 24 N -1.29 -0.11 0.00 -1.23 0.00 -1.26 -3.49 105.19 97.81 2rpi n GLY 24 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2rpi n GLY 24 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rpi n THR 25 N -1.21 0.00 0.05 2.61 -2.24 -1.22 -5.01 114.28 107.26 2rpi n THR 25 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 2rpi n THR 25 Cb 0.54 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.68 2rpi n THR 25 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2rpi h THR 26 N 0.00 1.31 -0.52 4.28 1.35 -1.58 -2.22 112.91 115.52 2rpi h THR 26 Ca 0.00 -2.32 0.03 0.00 -0.55 0.00 0.00 66.41 63.57 2rpi h THR 26 Cb 0.00 2.41 -0.04 0.00 -1.73 0.00 0.00 68.15 68.79 2rpi h THR 26 CO 0.00 0.71 0.31 -1.13 -0.25 0.00 0.00 175.52 175.16 2rpi h ASN 27 N 0.35 0.49 -0.60 5.36 -0.00 -1.78 1.94 115.58 121.34 2rpi h ASN 27 Ca -0.12 0.01 -0.03 0.00 -0.00 0.00 0.00 56.30 56.15 2rpi h ASN 27 Cb 1.68 -0.10 -0.03 0.00 -0.00 0.00 0.00 38.32 39.88 2rpi h ASN 27 CO 0.20 0.35 0.24 0.78 -0.00 0.00 0.00 177.43 178.99 2rpi h ASN 28 N 0.61 0.83 -0.44 1.15 2.35 -1.81 0.81 115.58 119.07 2rpi h ASN 28 Ca 0.21 -0.17 -0.13 0.00 -0.55 0.00 0.00 56.30 55.66 2rpi h ASN 28 Cb 0.04 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 2rpi h ASN 28 CO -0.10 0.77 -0.22 -0.09 -1.65 0.00 0.00 177.43 176.14 2rpi h ARG 29 N 0.83 0.95 -0.55 0.81 2.43 -0.66 0.19 114.38 118.39 2rpi h ARG 29 Ca 0.20 -0.41 -0.07 0.00 -0.81 0.00 0.00 59.98 58.89 2rpi h ARG 29 Cb 0.21 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 2rpi h ARG 29 CO -0.02 1.07 0.05 0.52 -1.51 0.00 0.00 179.97 180.09 2rpi h MET 30 N 0.82 0.93 -0.30 0.20 2.86 0.36 1.63 114.93 121.43 2rpi h MET 30 Ca 0.11 -0.27 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 2rpi h MET 30 Cb 0.79 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 2rpi h MET 30 CO 0.07 0.91 -0.10 0.93 1.06 0.00 0.00 176.91 179.78 2rpi h GLU 31 N 0.81 0.51 -0.30 1.72 5.08 0.83 0.68 114.58 123.91 2rpi h GLU 31 Ca 0.16 -0.14 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 2rpi h GLU 31 Cb 0.46 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2rpi h GLU 31 CO 0.02 0.61 -0.49 1.25 -1.00 0.00 0.00 179.01 179.40 2rpi h LEU 32 N 0.47 0.94 -0.41 1.33 5.85 0.28 -0.56 115.31 123.22 2rpi h LEU 32 Ca 0.09 -0.52 -0.05 0.00 0.84 0.00 0.00 57.88 58.24 2rpi h LEU 32 Cb 0.47 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2rpi h LEU 32 CO 0.03 1.28 0.07 0.50 -0.34 0.00 0.00 178.44 179.97 2rpi h LYS 33 N 0.64 0.68 0.00 1.25 3.11 0.33 -1.46 116.57 121.12 2rpi h LYS 33 Ca 0.02 -0.18 -0.05 0.00 -2.81 0.00 0.00 60.65 57.63 2rpi h LYS 33 Cb 1.09 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.23 2rpi h LYS 33 CO 0.11 0.72 -0.26 0.00 -2.81 0.00 0.00 179.45 177.22 2rpi h ALA 34 N 0.93 1.49 0.55 5.00 0.00 0.39 -2.48 119.26 125.14 2rpi h ALA 34 Ca 0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2rpi h ALA 34 Cb 0.37 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2rpi h ALA 34 CO 0.01 0.32 -0.27 0.00 0.00 0.00 0.00 179.25 179.32 2rpi h ALA 35 N 1.74 -0.75 -1.02 0.00 0.00 -0.52 1.27 119.26 119.98 2rpi h ALA 35 Ca -0.00 -0.18 0.25 0.00 0.00 0.00 0.00 54.91 54.98 2rpi h ALA 35 Cb 0.48 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.45 2rpi h ALA 35 CO 0.03 -0.71 0.63 0.97 0.00 0.00 0.00 179.25 180.17 2rpi h ILE 36 N -1.16 0.56 -0.09 0.00 -0.00 -1.22 0.77 117.51 116.36 2rpi h ILE 36 Ca -0.08 -0.18 -0.23 0.00 -0.00 0.00 0.00 64.86 64.38 2rpi h ILE 36 Cb 0.60 -0.00 0.01 0.00 -0.00 0.00 0.00 36.82 37.43 2rpi h ILE 36 CO 0.13 0.09 -0.86 -0.33 -0.00 0.00 0.00 178.15 177.18 2rpi h GLU 37 N 0.52 0.70 0.00 2.19 4.39 -1.34 0.10 114.58 121.13 2rpi h GLU 37 Ca 0.61 -0.62 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2rpi h GLU 37 Cb 1.31 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.11 2rpi h GLU 37 CO -0.37 1.23 0.00 0.41 -1.16 0.00 0.00 179.01 179.12 2rpi n GLY 38 N 0.80 -0.68 0.00 -3.84 0.00 0.43 0.76 105.19 102.67 2rpi n GLY 38 Ca -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2rpi n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rpi n LEU 39 N -1.17 0.00 -0.01 0.99 4.77 0.36 -4.68 117.00 117.26 2rpi n LEU 39 Ca 0.09 -0.08 0.10 0.00 -0.03 0.00 0.00 56.01 56.09 2rpi n LEU 39 Cb 0.10 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.02 2rpi n LEU 39 CO 0.11 0.00 -0.78 1.17 -1.33 0.00 0.00 177.39 176.56 2rpi n LYS 40 N -1.10 0.66 -0.11 3.23 4.81 0.35 -3.67 118.16 122.33 2rpi n LYS 40 Ca 0.00 -0.19 0.06 0.00 -0.87 0.00 0.00 58.31 57.31 2rpi n LYS 40 Cb 0.00 -1.51 0.21 0.00 0.02 0.00 0.00 35.03 33.74 2rpi n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2rpi n ALA 41 N -2.28 2.48 0.04 3.14 0.00 0.23 -4.24 120.51 119.88 2rpi n ALA 41 Ca -0.06 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2rpi n ALA 41 Cb 0.60 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2rpi n ALA 41 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2rpi n LEU 42 N 0.20 0.80 -1.64 0.00 4.77 -1.26 -5.01 117.00 114.86 2rpi n LEU 42 Ca 0.11 0.10 -0.19 0.00 -0.03 0.00 0.00 56.01 56.01 2rpi n LEU 42 Cb 0.23 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 2rpi n LEU 42 CO 0.08 -0.55 -0.20 0.29 -1.33 0.00 0.00 177.39 175.68 2rpi n LYS 43 N -3.36 -1.36 -3.61 3.23 5.02 -1.24 -4.94 118.16 111.90 2rpi n LYS 43 Ca 0.00 1.09 -0.39 0.00 -2.02 0.00 0.00 58.31 56.98 2rpi n LYS 43 Cb 0.14 -5.45 -0.08 0.00 -0.02 0.00 0.00 35.03 29.61 2rpi n LYS 43 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2rpi s GLU 44 N -3.97 2.67 -0.99 1.97 0.41 -1.26 -5.03 118.70 112.49 2rpi s GLU 44 Ca 0.00 -2.25 -0.26 0.00 -0.41 0.00 0.00 54.97 52.05 2rpi s GLU 44 Cb 0.00 -3.89 -0.24 0.00 -1.78 0.00 0.00 34.13 28.22 2rpi s GLU 44 CO 0.00 -1.19 2.58 -2.30 -0.49 0.00 0.00 175.26 173.86 2rpi n PRO 45 N 4.05 0.01 -4.08 0.39 -0.02 -1.26 -4.85 135.00 129.24 2rpi n PRO 45 Ca 0.04 -0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.44 2rpi n PRO 45 Cb 0.41 -1.42 -0.10 0.00 -0.02 0.00 0.00 33.50 32.36 2rpi n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2rpi s ALA 46 N 7.17 0.46 -1.28 3.55 0.00 -1.26 -4.52 121.76 125.88 2rpi s ALA 46 Ca 1.35 -1.14 -0.14 0.00 0.00 0.00 0.00 51.96 52.03 2rpi s ALA 46 Cb -1.16 0.26 0.13 0.00 0.00 0.00 0.00 23.12 22.34 2rpi s ALA 46 CO 0.50 -0.35 1.71 0.39 0.00 0.00 0.00 175.76 178.02 2rpi n GLU 47 N 0.28 3.30 -2.29 0.00 1.02 -0.70 -3.15 120.64 119.11 2rpi n GLU 47 Ca -0.15 -3.47 -0.43 0.00 -0.02 0.00 0.00 57.16 53.09 2rpi n GLU 47 Cb 0.60 -3.18 -0.02 0.00 -0.02 0.00 0.00 31.44 28.82 2rpi n GLU 47 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2rpi s VAL 48 N 2.30 3.81 -1.34 2.62 1.01 -1.26 -1.88 120.40 125.66 2rpi s VAL 48 Ca 0.46 0.81 -0.16 0.00 0.00 0.00 0.00 61.98 63.08 2rpi s VAL 48 Cb 0.04 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.31 2rpi s VAL 48 CO 0.01 -0.75 2.04 -0.67 0.00 0.00 0.00 175.10 175.73 2rpi n ASP 49 N 9.23 4.05 -4.57 3.32 -0.08 0.32 0.03 116.55 128.86 2rpi n ASP 49 Ca 0.17 -2.85 -0.40 0.00 -1.51 0.00 0.00 54.79 50.21 2rpi n ASP 49 Cb 0.48 -1.64 -0.03 0.00 2.34 0.00 0.00 41.12 42.27 2rpi n ASP 49 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2rpi s LEU 50 N 3.12 3.40 -0.30 -2.67 2.96 -0.65 -3.27 118.68 121.27 2rpi s LEU 50 Ca 0.51 0.97 -0.22 0.00 -0.22 0.00 0.00 54.13 55.17 2rpi s LEU 50 Cb 0.10 -2.96 -0.01 0.00 0.50 0.00 0.00 46.19 43.83 2rpi s LEU 50 CO -0.01 -2.21 0.70 -0.31 -1.32 0.00 0.00 176.35 173.20 2rpi s TYR 51 N 8.86 3.21 0.26 5.38 1.51 0.12 -1.79 117.35 134.90 2rpi s TYR 51 Ca 0.81 0.68 0.11 0.00 -1.01 0.00 0.00 57.07 57.66 2rpi s TYR 51 Cb -0.19 -3.08 -0.05 0.00 -0.11 0.00 0.00 41.96 38.53 2rpi s TYR 51 CO 0.28 -0.51 -0.17 0.95 -1.11 0.00 0.00 175.55 174.99 2rpi s THR 52 N 2.75 2.65 -0.15 -0.71 -4.23 -0.93 -0.16 115.64 114.87 2rpi s THR 52 Ca 0.28 -2.23 0.23 0.00 -1.18 0.00 0.00 61.69 58.79 2rpi s THR 52 Cb -0.15 -2.37 0.47 0.00 1.34 0.00 0.00 72.50 71.79 2rpi s THR 52 CO 0.12 -0.33 1.15 -0.90 -0.54 0.00 0.00 174.62 174.11 2rpi n ASP 53 N -0.48 1.54 -4.93 3.99 5.75 -1.26 0.12 116.55 121.29 2rpi n ASP 53 Ca -0.07 -2.23 -0.26 0.00 -0.01 0.00 0.00 54.79 52.21 2rpi n ASP 53 Cb 0.59 -0.40 -0.03 0.00 -1.03 0.00 0.00 41.12 40.25 2rpi n ASP 53 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2rpi s SER 54 N -2.98 6.25 0.00 -1.12 0.01 -1.26 -4.93 113.70 109.67 2rpi s SER 54 Ca 0.32 0.15 0.19 0.00 1.31 0.00 0.00 55.95 57.92 2rpi s SER 54 Cb 0.36 -1.86 0.53 0.00 0.21 0.00 0.00 66.02 65.25 2rpi s SER 54 CO -0.09 0.06 1.43 1.41 0.41 0.00 0.00 173.24 176.46 2rpi n HIS 55 N -0.46 0.54 -0.05 2.43 8.25 -1.26 -3.52 115.22 121.16 2rpi n HIS 55 Ca -0.07 -0.27 -0.09 0.00 -0.26 0.00 0.00 57.72 57.03 2rpi n HIS 55 Cb 0.54 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.61 2rpi n HIS 55 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2rpi n TYR 56 N 1.00 0.00 -0.23 4.41 9.36 -1.26 -3.90 117.16 126.54 2rpi n TYR 56 Ca 0.18 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.32 2rpi n TYR 56 Cb 0.46 -0.36 0.04 0.00 -0.63 0.00 0.00 39.34 38.85 2rpi n TYR 56 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2rpi h LEU 57 N -0.24 0.95 0.28 2.98 4.07 -1.92 -2.02 115.31 119.42 2rpi h LEU 57 Ca -0.24 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.50 2rpi h LEU 57 Cb 1.26 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.75 2rpi h LEU 57 CO -0.11 0.91 -0.13 0.50 -1.08 0.00 0.00 178.44 178.52 2rpi h LYS 58 N 0.95 -0.36 -0.94 1.13 3.64 -1.82 -2.56 116.57 116.61 2rpi h LYS 58 Ca 0.21 0.02 0.24 0.00 -1.27 0.00 0.00 60.65 59.85 2rpi h LYS 58 Cb 0.30 0.08 -0.17 0.00 -0.41 0.00 0.00 32.23 32.03 2rpi h LYS 58 CO -0.01 -0.10 -0.02 -0.22 -2.27 0.00 0.00 179.45 176.83 2rpi h LYS 59 N -1.03 0.03 0.40 1.90 3.64 -1.67 1.03 116.57 120.87 2rpi h LYS 59 Ca -0.04 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2rpi h LYS 59 Cb 0.42 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2rpi h LYS 59 CO 0.06 0.02 -0.19 0.00 -2.27 0.00 0.00 179.45 177.07 2rpi h ALA 60 N 1.92 -0.79 -0.59 5.00 0.00 -1.44 -1.42 119.26 121.94 2rpi h ALA 60 Ca 0.54 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.42 2rpi h ALA 60 Cb 1.04 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 2rpi h ALA 60 CO -0.88 -0.75 0.22 0.35 0.00 0.00 0.00 179.25 178.19 2rpi h PHE 61 N -0.76 0.39 0.00 0.00 3.04 -0.93 -0.11 116.94 118.57 2rpi h PHE 61 Ca -0.06 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.89 2rpi h PHE 61 Cb 0.41 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 38.84 2rpi h PHE 61 CO 0.06 0.11 -0.15 1.79 -2.02 0.00 0.00 178.31 178.10 2rpi h THR 62 N 0.41 0.59 -0.00 4.41 1.35 1.00 -0.78 112.91 119.88 2rpi h THR 62 Ca 0.30 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2rpi h THR 62 Cb 0.35 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2rpi h THR 62 CO -0.29 0.14 -0.05 -0.62 -0.25 0.00 0.00 175.52 174.45 2rpi n GLU 63 N -3.62 0.32 -0.61 4.72 1.02 -0.10 -4.87 120.64 117.50 2rpi n GLU 63 Ca -0.01 -0.04 -0.02 0.00 -0.02 0.00 0.00 57.16 57.07 2rpi n GLU 63 Cb 0.27 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.19 2rpi n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rpi n GLY 64 N 1.36 0.21 0.10 0.62 0.00 -0.30 -4.67 105.19 102.51 2rpi n GLY 64 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 2rpi n GLY 64 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2rpi n TRP 65 N -0.93 0.03 0.07 1.61 2.14 -1.26 -3.54 117.44 115.56 2rpi n TRP 65 Ca -0.02 -0.02 0.02 0.00 2.07 0.00 0.00 57.50 59.56 2rpi n TRP 65 Cb 0.19 0.00 0.39 0.00 -0.81 0.00 0.00 31.31 31.09 2rpi n TRP 65 CO 0.00 0.00 0.00 1.25 2.07 0.00 0.00 177.69 181.01 2rpi h LEU 66 N 0.39 0.34 -0.06 5.67 6.46 -1.83 0.30 115.31 126.58 2rpi h LEU 66 Ca 0.00 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 2rpi h LEU 66 Cb 0.09 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2rpi h LEU 66 CO 0.00 0.39 0.00 -0.08 -0.62 0.00 0.00 178.44 178.13 2rpi h GLU 67 N 0.36 0.10 -0.69 1.25 4.81 -1.96 -2.68 114.58 115.77 2rpi h GLU 67 Ca 0.08 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.34 2rpi h GLU 67 Cb 0.23 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.54 2rpi h GLU 67 CO 0.00 0.36 0.39 0.78 -0.73 0.00 0.00 179.01 179.82 2rpi h GLY 68 N -0.18 1.02 -0.72 1.92 0.00 -1.52 -1.91 103.07 101.69 2rpi h GLY 68 Ca 0.02 -0.27 0.09 0.00 0.00 0.00 0.00 47.33 47.16 2rpi h GLY 68 CO 0.00 0.16 -0.51 1.49 0.00 0.00 0.00 176.54 177.68 2rpi h TRP 69 N 0.71 -1.58 -0.95 5.60 4.06 -0.11 2.06 115.95 125.74 2rpi h TRP 69 Ca 0.31 0.10 0.14 0.00 2.06 0.00 0.00 58.89 61.50 2rpi h TRP 69 Cb 0.20 0.79 -0.09 0.00 -1.00 0.00 0.00 29.16 29.06 2rpi h TRP 69 CO -0.07 -0.42 0.57 0.00 -3.56 0.00 0.00 178.44 174.96 2rpi h ARG 70 N -0.16 0.83 -0.01 0.49 3.08 -1.09 0.19 114.38 117.71 2rpi h ARG 70 Ca 0.17 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2rpi h ARG 70 Cb 0.52 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2rpi h ARG 70 CO -0.79 0.55 -0.13 1.63 -1.07 0.00 0.00 179.97 180.16 2rpi n LYS 71 N -4.71 0.99 -0.04 0.04 4.76 0.17 -3.80 118.16 115.58 2rpi n LYS 71 Ca 0.19 -0.48 -0.12 0.00 -2.87 0.00 0.00 58.31 55.03 2rpi n LYS 71 Cb 0.41 -1.49 -0.14 0.00 -1.84 0.00 0.00 35.03 31.96 2rpi n LYS 71 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2rpi n ARG 72 N -0.59 0.67 0.00 1.97 1.74 0.65 -4.97 116.66 116.13 2rpi n ARG 72 Ca 0.15 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 2rpi n ARG 72 Cb 0.31 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 2rpi n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rpi n GLY 73 N 1.72 0.85 1.59 -0.13 0.00 -0.49 -4.81 105.19 103.92 2rpi n GLY 73 Ca -0.24 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.77 2rpi n GLY 73 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2rpi n TRP 74 N -0.81 -0.28 -4.25 1.61 7.02 -0.99 -5.03 117.44 114.72 2rpi n TRP 74 Ca 0.00 0.12 -0.15 0.00 -1.02 0.00 0.00 57.50 56.45 2rpi n TRP 74 Cb 0.00 -1.69 -0.09 0.00 -2.42 0.00 0.00 31.31 27.11 2rpi n TRP 74 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2rpi s ARG 75 N -0.51 1.42 0.55 -0.99 3.00 -1.26 -3.77 118.95 117.39 2rpi s ARG 75 Ca 0.01 -1.78 -0.04 0.00 0.00 0.00 0.00 55.73 53.91 2rpi s ARG 75 Cb -0.00 0.21 0.01 0.00 0.00 0.00 0.00 34.95 35.17 2rpi s ARG 75 CO 0.06 -0.47 0.84 0.95 0.00 0.00 0.00 175.30 176.68 2rpi s THR 76 N -3.87 3.72 -0.47 0.02 -4.23 0.40 -4.65 115.64 106.56 2rpi s THR 76 Ca 0.39 -0.14 0.03 0.00 -1.18 0.00 0.00 61.69 60.80 2rpi s THR 76 Cb 0.05 -3.45 0.03 0.00 1.34 0.00 0.00 72.50 70.48 2rpi s THR 76 CO 0.17 -0.42 0.94 0.00 -0.54 0.00 0.00 174.62 174.77 2rpi n ALA 77 N -2.45 0.63 -0.07 3.99 0.00 -1.26 -0.32 120.51 121.04 2rpi n ALA 77 Ca 0.04 0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.29 2rpi n ALA 77 Cb 0.58 -0.67 -0.12 0.00 0.00 0.00 0.00 19.45 19.23 2rpi n ALA 77 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2rpi n GLU 78 N -1.50 0.67 0.00 0.00 2.13 -1.26 -5.00 120.64 115.68 2rpi n GLU 78 Ca -0.00 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.12 2rpi n GLU 78 Cb 0.22 -1.65 0.00 0.00 0.27 0.00 0.00 31.44 30.28 2rpi n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2rpi n GLY 79 N 1.84 -0.42 3.91 8.31 0.00 0.57 -5.14 105.19 114.25 2rpi n GLY 79 Ca -0.38 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 2rpi n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rpi s LYS 80 N 0.00 3.50 0.95 1.61 -2.85 -1.26 -4.69 119.74 116.99 2rpi s LYS 80 Ca 0.00 -0.32 -0.16 0.00 -1.00 0.00 0.00 55.97 54.48 2rpi s LYS 80 Cb 0.00 -2.99 -0.11 0.00 -2.06 0.00 0.00 37.83 32.67 2rpi s LYS 80 CO 0.00 0.57 -0.50 -2.30 0.10 0.00 0.00 175.35 173.22 2rpi n PRO 81 N 0.28 -0.04 -3.31 1.78 -0.02 -1.26 0.15 135.00 132.57 2rpi n PRO 81 Ca -0.05 -0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.05 2rpi n PRO 81 Cb 0.51 -1.18 -0.06 0.00 -0.02 0.00 0.00 33.50 32.76 2rpi n PRO 81 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2rpi s VAL 82 N -2.07 4.92 0.31 -1.45 1.01 -1.25 -4.14 120.40 117.73 2rpi s VAL 82 Ca 0.45 1.10 -0.21 0.00 0.00 0.00 0.00 61.98 63.32 2rpi s VAL 82 Cb -0.21 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 2rpi s VAL 82 CO 0.78 0.49 0.82 -0.54 0.00 0.00 0.00 175.10 176.65 2rpi s LYS 83 N -0.59 4.28 0.00 2.72 -0.14 -1.26 -3.36 119.74 121.39 2rpi s LYS 83 Ca 0.28 0.99 0.00 0.00 -1.36 0.00 0.00 55.97 55.88 2rpi s LYS 83 Cb -0.18 -2.64 0.00 0.00 -1.68 0.00 0.00 37.83 33.33 2rpi s LYS 83 CO 0.16 0.24 0.00 0.09 -0.76 0.00 0.00 175.35 175.08 2rpi n ASN 84 N 0.21 -2.83 -0.17 2.83 5.03 -1.26 -4.84 115.26 114.23 2rpi n ASN 84 Ca 0.02 0.00 0.29 0.00 0.87 0.00 0.00 54.58 55.75 2rpi n ASN 84 Cb 0.52 -1.47 0.63 0.00 -1.02 0.00 0.00 39.78 38.43 2rpi n ASN 84 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.26 175.51 2rpi h ARG 85 N 0.99 0.00 0.04 3.52 -0.00 -1.98 1.40 114.38 118.35 2rpi h ARG 85 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 59.98 59.72 2rpi h ARG 85 Cb 0.27 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.26 2rpi h ARG 85 CO 0.00 0.00 -1.08 0.22 -0.00 0.00 0.00 179.97 179.11 2rpi h ASP 86 N 0.00 0.76 -0.22 0.08 3.58 -1.88 0.28 116.42 119.01 2rpi h ASP 86 Ca 0.44 -0.64 -0.11 0.00 0.42 0.00 0.00 57.03 57.14 2rpi h ASP 86 Cb 2.27 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 43.08 2rpi h ASP 86 CO -0.00 1.45 -0.29 -0.07 -2.88 0.00 0.00 179.24 177.44 2rpi h LEU 87 N 0.29 0.64 0.72 2.28 3.38 0.13 -2.25 115.31 120.51 2rpi h LEU 87 Ca -0.13 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.30 2rpi h LEU 87 Cb 1.74 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 42.31 2rpi h LEU 87 CO 0.20 1.02 -0.35 -0.50 0.09 0.00 0.00 178.44 178.90 2rpi h TRP 88 N 0.28 -0.90 -0.91 1.13 4.06 -0.72 0.70 115.95 119.59 2rpi h TRP 88 Ca 0.03 -0.02 0.27 0.00 2.06 0.00 0.00 58.89 61.22 2rpi h TRP 88 Cb 0.87 0.30 -0.04 0.00 -1.00 0.00 0.00 29.16 29.29 2rpi h TRP 88 CO 0.08 -0.56 0.67 0.93 -3.56 0.00 0.00 178.44 176.00 2rpi h GLU 89 N -1.16 0.00 0.21 0.49 5.08 -0.51 1.38 114.58 120.07 2rpi h GLU 89 Ca -0.10 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.92 2rpi h GLU 89 Cb 0.74 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.01 2rpi h GLU 89 CO 0.16 0.00 -1.61 0.00 -1.00 0.00 0.00 179.01 176.57 2rpi h ALA 90 N 1.52 0.02 -0.36 3.43 0.00 -1.21 -2.50 119.26 120.17 2rpi h ALA 90 Ca 0.43 -1.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 2rpi h ALA 90 Cb 1.77 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 2rpi h ALA 90 CO -0.00 0.86 -0.11 1.25 0.00 0.00 0.00 179.25 181.25 2rpi h LEU 91 N 0.08 0.61 -0.35 0.00 6.46 0.38 0.20 115.31 122.69 2rpi h LEU 91 Ca -0.30 -0.17 -0.08 0.00 -0.12 0.00 0.00 57.88 57.21 2rpi h LEU 91 Cb 2.10 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 41.85 2rpi h LEU 91 CO 0.21 0.75 -0.08 0.25 -0.62 0.00 0.00 178.44 178.95 2rpi h LEU 92 N 0.57 0.68 -0.80 2.25 5.85 0.16 0.51 115.31 124.52 2rpi h LEU 92 Ca 0.10 -0.36 -0.12 0.00 0.84 0.00 0.00 57.88 58.34 2rpi h LEU 92 Cb 0.53 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2rpi h LEU 92 CO 0.03 0.88 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.58 2rpi h LEU 93 N 0.46 0.49 -0.04 2.25 3.38 -1.16 -2.11 115.31 118.59 2rpi h LEU 93 Ca 0.09 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2rpi h LEU 93 Cb 0.58 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2rpi h LEU 93 CO 0.03 0.81 0.00 0.00 0.09 0.00 0.00 178.44 179.38 2rpi n ALA 94 N -2.49 2.25 1.24 1.53 0.00 0.69 -3.03 120.51 120.70 2rpi n ALA 94 Ca -0.01 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.53 2rpi n ALA 94 Cb 0.48 -1.47 0.31 0.00 0.00 0.00 0.00 19.45 18.77 2rpi n ALA 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2rpi n MET 95 N -2.22 1.95 0.00 0.00 2.81 0.18 -4.28 117.12 115.56 2rpi n MET 95 Ca 0.05 -1.41 -0.13 0.00 -1.81 0.00 0.00 57.70 54.41 2rpi n MET 95 Cb 0.41 -1.47 -0.09 0.00 -0.71 0.00 0.00 33.22 31.36 2rpi n MET 95 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2rpi h ALA 96 N 4.49 -0.03 -0.72 3.04 0.00 -1.39 -3.26 119.26 121.40 2rpi h ALA 96 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2rpi h ALA 96 Cb 0.74 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2rpi h ALA 96 CO 0.00 -0.31 0.20 -1.35 0.00 0.00 0.00 179.25 177.79 2rpi h PRO 97 N -0.45 1.13 -6.65 0.00 0.11 -1.79 -3.44 132.00 120.91 2rpi h PRO 97 Ca -0.00 -0.26 -0.48 0.00 0.11 0.00 0.00 66.00 65.36 2rpi h PRO 97 Cb 0.43 -0.15 0.02 0.00 0.11 0.00 0.00 31.00 31.40 2rpi h PRO 97 CO 0.00 0.98 -0.09 -1.01 -0.21 0.00 0.00 178.00 177.68 2rpi s HIS 98 N -5.36 3.52 -2.55 0.65 3.76 -1.23 -4.58 115.29 109.50 2rpi s HIS 98 Ca -0.12 0.53 0.21 0.00 -0.15 0.00 0.00 55.06 55.52 2rpi s HIS 98 Cb 0.15 -2.05 0.17 0.00 1.11 0.00 0.00 32.58 31.96 2rpi s HIS 98 CO 0.84 -0.00 1.16 0.54 -0.85 0.00 0.00 174.74 176.43 2rpi n ARG 99 N -1.86 1.88 0.00 1.40 3.00 -1.19 -4.84 116.66 115.05 2rpi n ARG 99 Ca -0.03 -1.74 0.00 0.00 -0.01 0.00 0.00 57.85 56.07 2rpi n ARG 99 Cb 0.56 -1.40 0.00 0.00 0.00 0.00 0.00 32.46 31.62 2rpi n ARG 99 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 2rpi n VAL 100 N 1.16 0.00 -3.09 1.55 3.14 -1.22 -4.80 118.33 115.07 2rpi n VAL 100 Ca 0.12 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.20 2rpi n VAL 100 Cb 0.52 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.26 2rpi n VAL 100 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2rpi s ARG 101 N 0.00 3.75 -0.19 1.45 0.52 0.10 -4.87 118.95 119.72 2rpi s ARG 101 Ca 0.00 0.31 -0.05 0.00 -0.52 0.00 0.00 55.73 55.46 2rpi s ARG 101 Cb 0.00 -2.51 -0.03 0.00 0.52 0.00 0.00 34.95 32.94 2rpi s ARG 101 CO 0.00 0.10 0.00 -0.06 0.02 0.00 0.00 175.30 175.36 2rpi s PHE 102 N -2.19 3.08 -0.46 -0.53 0.40 -1.26 -1.63 117.98 115.38 2rpi s PHE 102 Ca 0.49 -0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.54 2rpi s PHE 102 Cb -0.10 -2.05 0.16 0.00 0.51 0.00 0.00 43.02 41.53 2rpi s PHE 102 CO 0.29 -0.11 0.32 -1.01 0.70 0.00 0.00 175.22 175.41 2rpi s HIS 103 N 0.72 1.74 -0.58 0.36 3.76 -0.74 -4.97 115.29 115.58 2rpi s HIS 103 Ca 0.00 -2.43 -0.26 0.00 -0.15 0.00 0.00 55.06 52.22 2rpi s HIS 103 Cb -0.14 -1.52 -0.07 0.00 1.11 0.00 0.00 32.58 31.96 2rpi s HIS 103 CO 0.02 -0.76 2.28 -0.06 -0.85 0.00 0.00 174.74 175.37 2rpi s PHE 104 N 0.03 1.23 -1.02 1.40 0.08 -1.26 -2.19 117.98 116.25 2rpi s PHE 104 Ca 0.25 1.45 -0.14 0.00 0.12 0.00 0.00 56.93 58.61 2rpi s PHE 104 Cb -0.10 -3.68 0.21 0.00 -0.57 0.00 0.00 43.02 38.88 2rpi s PHE 104 CO -0.10 -2.30 1.10 0.08 -0.10 0.00 0.00 175.22 173.91 2rpi s VAL 105 N 11.94 5.39 -1.07 -0.44 1.01 0.33 -4.90 120.40 132.67 2rpi s VAL 105 Ca 0.90 -2.59 0.09 0.00 0.00 0.00 0.00 61.98 60.37 2rpi s VAL 105 Cb -0.15 -4.68 0.07 0.00 0.00 0.00 0.00 36.38 31.62 2rpi s VAL 105 CO 0.21 -1.32 0.77 0.29 0.00 0.00 0.00 175.10 175.05