#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 -3.93 7.83 3.02 -1.26 -5.16 115.26 115.76 2rpi n ASN 2 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.29 2rpi n ASN 2 Cb 0.00 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.26 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 -0.71 -0.92 0.05 3.52 -0.02 -1.26 -4.96 135.00 130.70 2rpi n PRO 3 Ca 0.00 -0.27 -0.22 0.00 -2.02 0.00 0.00 63.50 60.99 2rpi n PRO 3 Cb 0.00 -1.28 -0.15 0.00 -0.02 0.00 0.00 33.50 32.06 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 -1.82 0.54 -0.16 2.55 0.02 -2.02 -3.40 113.55 109.26 2rpi h SER 4 Ca -0.33 -0.93 0.02 0.00 -0.84 0.00 0.00 61.79 59.71 2rpi h SER 4 Cb 1.01 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 2rpi h SER 4 CO 0.20 1.78 -0.21 -0.65 -1.14 0.00 0.00 176.83 176.82 2rpi h PRO 5 N 0.03 -0.13 0.00 3.45 0.11 -2.03 -3.45 132.00 129.98 2rpi h PRO 5 Ca -0.36 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2rpi h PRO 5 Cb 2.03 0.03 0.00 0.00 0.11 0.00 0.00 31.00 33.17 2rpi h PRO 5 CO 0.14 -0.09 0.00 0.54 -0.21 0.00 0.00 178.00 178.38 2rpi n ARG 6 N -3.69 0.00 -3.17 1.05 1.74 -1.26 -5.09 116.66 106.24 2rpi n ARG 6 Ca -0.01 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.11 2rpi n ARG 6 Cb 0.12 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.53 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 -2.00 0.03 -0.20 5.56 2.20 -1.26 -4.67 119.74 119.39 2rpi s LYS 7 Ca 0.00 0.07 -0.17 0.00 -0.36 0.00 0.00 55.97 55.52 2rpi s LYS 7 Cb 0.00 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.33 2rpi s LYS 7 CO 0.00 -0.02 0.44 0.50 -0.36 0.00 0.00 175.35 175.91 2rpi s ARG 8 N 2.46 4.17 -0.13 4.03 3.52 -1.26 0.10 118.95 131.84 2rpi s ARG 8 Ca -0.04 0.27 -0.02 0.00 -0.13 0.00 0.00 55.73 55.80 2rpi s ARG 8 Cb -0.04 -3.55 -0.03 0.00 -1.56 0.00 0.00 34.95 29.77 2rpi s ARG 8 CO -0.12 -0.09 -0.06 0.08 -0.81 0.00 0.00 175.30 174.30 2rpi s VAL 9 N 1.46 3.74 -1.08 7.11 1.01 -0.48 -4.93 120.40 127.23 2rpi s VAL 9 Ca 0.21 -0.43 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 2rpi s VAL 9 Cb -0.15 -2.60 0.19 0.00 0.00 0.00 0.00 36.38 33.82 2rpi s VAL 9 CO 0.09 0.52 1.22 0.00 0.00 0.00 0.00 175.10 176.93 2rpi s ALA 10 N 0.07 4.03 -0.33 5.51 0.00 -1.26 0.12 121.76 129.90 2rpi s ALA 10 Ca -0.01 -3.33 -0.14 0.00 0.00 0.00 0.00 51.96 48.48 2rpi s ALA 10 Cb -0.14 -3.92 -0.02 0.00 0.00 0.00 0.00 23.12 19.05 2rpi s ALA 10 CO 0.03 -2.64 0.32 -1.17 0.00 0.00 0.00 175.76 172.30 2rpi s LEU 11 N 1.05 4.37 -0.47 0.00 0.20 -1.22 -4.99 118.68 117.63 2rpi s LEU 11 Ca 0.35 -0.19 -0.17 0.00 0.69 0.00 0.00 54.13 54.81 2rpi s LEU 11 Cb -0.06 -2.28 0.05 0.00 -0.43 0.00 0.00 46.19 43.47 2rpi s LEU 11 CO -0.05 -0.27 0.45 -0.36 -0.29 0.00 0.00 176.35 175.83 2rpi s PHE 12 N 1.94 3.18 -1.10 5.38 0.08 -1.26 -0.53 117.98 125.67 2rpi s PHE 12 Ca 0.10 -0.69 -0.24 0.00 0.12 0.00 0.00 56.93 56.23 2rpi s PHE 12 Cb -0.17 -3.15 -0.12 0.00 -0.57 0.00 0.00 43.02 39.01 2rpi s PHE 12 CO 0.11 -0.82 2.02 0.95 -0.10 0.00 0.00 175.22 177.38 2rpi s THR 13 N 2.00 3.36 -0.65 0.64 -4.23 -0.17 -4.71 115.64 111.88 2rpi s THR 13 Ca 0.09 -0.56 0.03 0.00 -1.18 0.00 0.00 61.69 60.07 2rpi s THR 13 Cb -0.21 -4.25 0.36 0.00 1.34 0.00 0.00 72.50 69.75 2rpi s THR 13 CO 0.10 -0.67 1.30 -0.67 -0.54 0.00 0.00 174.62 174.14 2rpi n ASP 14 N 16.08 5.47 0.00 3.99 -0.08 -1.26 -4.57 116.55 136.18 2rpi n ASP 14 Ca 0.43 -3.72 0.00 0.00 -1.51 0.00 0.00 54.79 49.99 2rpi n ASP 14 Cb 0.46 -0.70 0.00 0.00 2.34 0.00 0.00 41.12 43.22 2rpi n ASP 14 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2rpi n GLY 15 N -0.33 0.00 0.64 0.27 0.00 -1.26 -4.95 105.19 99.56 2rpi n GLY 15 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.17 0.00 -1.62 4.61 0.00 -1.26 -5.05 120.51 115.02 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 -2.67 -3.03 -0.49 0.00 0.00 -1.26 -5.03 120.51 108.04 2rpi n ALA 17 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2rpi n ALA 17 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.11 0.00 -4.43 0.00 -0.00 -1.26 -4.73 117.00 106.46 2rpi n LEU 18 Ca 0.00 -0.05 -0.36 0.00 -0.00 0.00 0.00 56.01 55.60 2rpi n LEU 18 Cb 0.01 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.51 2rpi n LEU 18 CO 0.04 0.37 -0.03 0.61 -0.00 0.00 0.00 177.39 178.38 2rpi n GLY 19 N 0.00 -1.77 0.31 1.47 0.00 -1.26 -4.70 105.19 99.24 2rpi n GLY 19 Ca 0.00 -0.44 0.09 0.00 0.00 0.00 0.00 46.02 45.67 2rpi n GLY 19 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2rpi h ASN 20 N -0.55 -0.44 0.12 1.61 2.35 -2.03 0.55 115.58 117.19 2rpi h ASN 20 Ca -0.45 0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.53 2rpi h ASN 20 Cb 1.34 0.42 0.00 0.00 0.05 0.00 0.00 38.32 40.13 2rpi h ASN 20 CO 0.41 -0.26 -0.06 -0.65 -1.65 0.00 0.00 177.43 175.22 2rpi h PRO 21 N 0.06 -0.16 0.00 0.81 0.11 -2.05 -3.49 132.00 127.28 2rpi h PRO 21 Ca 0.50 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.62 2rpi h PRO 21 Cb 0.93 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2rpi h PRO 21 CO -0.80 -0.03 0.00 0.41 -0.21 0.00 0.00 178.00 177.37 2rpi n GLY 22 N -0.91 2.48 0.12 -0.55 0.00 0.19 -4.78 105.19 101.73 2rpi n GLY 22 Ca -0.08 -2.03 0.05 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.35 0.07 0.17 1.61 -0.02 -1.26 -3.35 135.00 130.86 2rpi n PRO 23 Ca 0.00 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2rpi n PRO 23 Cb 0.00 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 -0.25 0.00 -1.23 0.00 -1.26 -3.63 105.19 97.53 2rpi n GLY 24 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2rpi n GLY 24 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2rpi n THR 25 N -1.60 0.00 0.03 2.61 5.66 -1.23 -5.02 114.28 114.74 2rpi n THR 25 Ca 0.00 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 2rpi n THR 25 Cb 0.63 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.34 2rpi n THR 25 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 2rpi h THR 26 N 0.00 1.31 -0.77 1.09 1.35 -1.62 -2.32 112.91 111.96 2rpi h THR 26 Ca 0.00 -2.21 0.04 0.00 -0.55 0.00 0.00 66.41 63.69 2rpi h THR 26 Cb 0.00 2.26 -0.05 0.00 -1.73 0.00 0.00 68.15 68.63 2rpi h THR 26 CO 0.00 0.68 0.48 -1.13 -0.25 0.00 0.00 175.52 175.30 2rpi h ASN 27 N 0.39 0.78 -0.56 5.36 -0.00 -1.80 1.64 115.58 121.38 2rpi h ASN 27 Ca -0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.19 2rpi h ASN 27 Cb 1.56 -0.16 -0.03 0.00 -0.00 0.00 0.00 38.32 39.69 2rpi h ASN 27 CO 0.18 0.53 0.24 0.78 -0.00 0.00 0.00 177.43 179.15 2rpi h ASN 28 N 0.92 0.77 -0.22 1.15 2.35 -1.83 0.77 115.58 119.49 2rpi h ASN 28 Ca 0.32 -0.16 -0.15 0.00 -0.55 0.00 0.00 56.30 55.76 2rpi h ASN 28 Cb 0.07 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2rpi h ASN 28 CO -0.13 0.71 -0.39 -0.09 -1.65 0.00 0.00 177.43 175.88 2rpi h ARG 29 N 0.77 0.76 -0.47 0.81 2.43 -0.65 0.97 114.38 119.00 2rpi h ARG 29 Ca 0.19 -0.39 -0.07 0.00 -0.81 0.00 0.00 59.98 58.90 2rpi h ARG 29 Cb 0.18 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2rpi h ARG 29 CO -0.02 1.02 0.03 0.52 -1.51 0.00 0.00 179.97 180.01 2rpi h MET 30 N 0.62 0.81 -0.31 0.20 2.86 0.30 1.34 114.93 120.76 2rpi h MET 30 Ca 0.05 -0.24 -0.07 0.00 -2.06 0.00 0.00 59.70 57.38 2rpi h MET 30 Cb 0.95 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 2rpi h MET 30 CO 0.09 0.85 -0.12 0.93 1.06 0.00 0.00 176.91 179.72 2rpi h GLU 31 N 0.67 0.53 -0.41 1.72 5.08 0.69 0.25 114.58 123.12 2rpi h GLU 31 Ca 0.14 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 2rpi h GLU 31 Cb 0.46 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2rpi h GLU 31 CO 0.02 0.64 -0.33 1.25 -1.00 0.00 0.00 179.01 179.59 2rpi h LEU 32 N 0.49 0.97 -0.58 1.33 5.85 -0.06 -1.73 115.31 121.57 2rpi h LEU 32 Ca 0.09 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 2rpi h LEU 32 Cb 0.49 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2rpi h LEU 32 CO 0.03 1.20 0.29 0.50 -0.34 0.00 0.00 178.44 180.12 2rpi h LYS 33 N 0.77 0.82 0.00 1.25 3.11 0.29 -1.28 116.57 121.54 2rpi h LYS 33 Ca 0.08 -0.11 -0.06 0.00 -2.81 0.00 0.00 60.65 57.75 2rpi h LYS 33 Cb 0.90 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.97 2rpi h LYS 33 CO 0.08 0.66 -0.26 0.00 -2.81 0.00 0.00 179.45 177.12 2rpi h ALA 34 N 1.12 1.49 0.45 5.00 0.00 -0.40 -2.53 119.26 124.39 2rpi h ALA 34 Ca 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2rpi h ALA 34 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2rpi h ALA 34 CO -0.03 0.33 -0.22 0.00 0.00 0.00 0.00 179.25 179.33 2rpi h ALA 35 N 1.74 -0.61 -1.02 0.00 0.00 -0.47 0.47 119.26 119.37 2rpi h ALA 35 Ca -0.00 -0.17 0.26 0.00 0.00 0.00 0.00 54.91 55.00 2rpi h ALA 35 Cb 0.49 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 18.40 2rpi h ALA 35 CO 0.03 -0.60 0.62 0.97 0.00 0.00 0.00 179.25 180.28 2rpi h ILE 36 N -1.10 0.52 -0.12 0.00 -0.00 -1.22 1.09 117.51 116.70 2rpi h ILE 36 Ca -0.06 -0.18 -0.19 0.00 -0.00 0.00 0.00 64.86 64.43 2rpi h ILE 36 Cb 0.53 -0.03 -0.00 0.00 -0.00 0.00 0.00 36.82 37.32 2rpi h ILE 36 CO 0.10 0.09 -0.71 -0.33 -0.00 0.00 0.00 178.15 177.30 2rpi h GLU 37 N 0.51 0.54 0.00 2.19 4.39 -1.40 0.15 114.58 120.97 2rpi h GLU 37 Ca 0.63 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2rpi h GLU 37 Cb 1.34 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 2rpi h GLU 37 CO -0.42 1.05 0.00 0.41 -1.16 0.00 0.00 179.01 178.89 2rpi n GLY 38 N 0.55 -0.93 0.00 -3.84 0.00 0.36 0.82 105.19 102.14 2rpi n GLY 38 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.37 0.00 -0.06 0.99 4.77 -0.00 -4.60 117.00 116.72 2rpi n LEU 39 Ca 0.06 -0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.98 2rpi n LEU 39 Cb 0.16 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.10 2rpi n LEU 39 CO 0.14 0.00 -0.90 1.17 -1.33 0.00 0.00 177.39 176.47 2rpi n LYS 40 N -1.39 0.67 -0.07 3.23 4.81 0.52 -3.00 118.16 122.94 2rpi n LYS 40 Ca 0.00 0.06 0.07 0.00 -0.87 0.00 0.00 58.31 57.57 2rpi n LYS 40 Cb 0.00 -1.61 0.28 0.00 0.02 0.00 0.00 35.03 33.73 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 -2.62 2.52 0.05 3.14 0.00 0.24 -4.18 120.51 119.66 2rpi n ALA 41 Ca -0.24 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2rpi n ALA 41 Cb 1.04 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.09 0.84 -1.02 0.00 4.77 -1.26 -5.00 117.00 115.24 2rpi n LEU 42 Ca 0.11 0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 56.11 2rpi n LEU 42 Cb 0.18 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 2rpi n LEU 42 CO 0.08 -0.67 -0.13 0.29 -1.33 0.00 0.00 177.39 175.63 2rpi n LYS 43 N -3.43 -1.58 -3.46 3.23 5.02 -1.16 -4.93 118.16 111.86 2rpi n LYS 43 Ca 0.00 0.96 -0.43 0.00 -2.02 0.00 0.00 58.31 56.82 2rpi n LYS 43 Cb 0.06 -5.35 -0.09 0.00 -0.02 0.00 0.00 35.03 29.64 2rpi n LYS 43 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2rpi s GLU 44 N -3.10 2.89 -0.70 1.97 2.12 -1.26 -5.01 118.70 115.60 2rpi s GLU 44 Ca 0.00 -1.30 -0.32 0.00 0.36 0.00 0.00 54.97 53.71 2rpi s GLU 44 Cb 0.00 -4.00 -0.16 0.00 0.26 0.00 0.00 34.13 30.23 2rpi s GLU 44 CO 0.00 -0.94 2.48 -2.30 -0.54 0.00 0.00 175.26 173.95 2rpi n PRO 45 N 5.12 0.46 -4.02 4.30 -0.02 -1.26 -4.88 135.00 134.70 2rpi n PRO 45 Ca -0.12 0.05 -0.08 0.00 -2.02 0.00 0.00 63.50 61.33 2rpi n PRO 45 Cb 0.44 -2.17 -0.11 0.00 -0.02 0.00 0.00 33.50 31.64 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 9.20 0.25 -1.09 3.55 0.00 -1.26 -4.46 121.76 127.94 2rpi s ALA 46 Ca 1.20 -0.80 -0.18 0.00 0.00 0.00 0.00 51.96 52.18 2rpi s ALA 46 Cb -0.94 0.19 0.11 0.00 0.00 0.00 0.00 23.12 22.49 2rpi s ALA 46 CO 0.45 -0.23 1.39 -1.21 0.00 0.00 0.00 175.76 176.16 2rpi s GLU 47 N -2.33 3.80 -0.43 0.00 2.02 0.28 -3.03 118.70 119.02 2rpi s GLU 47 Ca -0.08 -1.89 -0.29 0.00 0.02 0.00 0.00 54.97 52.73 2rpi s GLU 47 Cb -0.04 -5.17 0.03 0.00 0.10 0.00 0.00 34.13 29.05 2rpi s GLU 47 CO -0.04 -1.96 1.11 0.08 0.02 0.00 0.00 175.26 174.47 2rpi s VAL 48 N 3.17 4.30 -1.33 2.63 1.01 -1.26 -1.38 120.40 127.54 2rpi s VAL 48 Ca 0.42 1.34 -0.14 0.00 0.00 0.00 0.00 61.98 63.60 2rpi s VAL 48 Cb -0.02 -4.55 -0.02 0.00 0.00 0.00 0.00 36.38 31.80 2rpi s VAL 48 CO -0.04 -0.86 2.28 -0.67 0.00 0.00 0.00 175.10 175.81 2rpi n ASP 49 N 7.55 4.43 -4.57 3.32 -0.08 0.32 0.23 116.55 127.75 2rpi n ASP 49 Ca 0.12 -2.74 -0.40 0.00 -1.51 0.00 0.00 54.79 50.26 2rpi n ASP 49 Cb 0.48 -1.51 -0.03 0.00 2.34 0.00 0.00 41.12 42.40 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 1.59 3.41 -0.46 -2.67 0.20 -0.68 -3.39 118.68 116.68 2rpi s LEU 50 Ca 0.52 1.15 -0.22 0.00 0.69 0.00 0.00 54.13 56.27 2rpi s LEU 50 Cb 0.15 -2.95 0.03 0.00 -0.43 0.00 0.00 46.19 42.98 2rpi s LEU 50 CO -0.04 -2.32 0.73 -0.31 -0.29 0.00 0.00 176.35 174.12 2rpi s TYR 51 N 9.52 3.01 -0.19 5.38 1.51 0.32 -1.54 117.35 135.35 2rpi s TYR 51 Ca 0.88 0.01 0.01 0.00 -1.01 0.00 0.00 57.07 56.97 2rpi s TYR 51 Cb -0.21 -3.56 0.03 0.00 -0.11 0.00 0.00 41.96 38.11 2rpi s TYR 51 CO 0.28 -0.97 -0.19 -0.08 -1.11 0.00 0.00 175.55 173.49 2rpi s THR 52 N 3.10 2.07 -0.67 -0.71 -1.32 -0.97 -1.00 115.64 116.14 2rpi s THR 52 Ca 0.26 -1.05 -0.02 0.00 -1.21 0.00 0.00 61.69 59.67 2rpi s THR 52 Cb -0.13 -1.92 0.44 0.00 -1.51 0.00 0.00 72.50 69.37 2rpi s THR 52 CO 0.20 0.45 2.01 -0.90 -2.21 0.00 0.00 174.62 174.17 2rpi n ASP 53 N 4.59 7.62 -4.92 8.08 5.68 -1.26 -3.37 116.55 132.97 2rpi n ASP 53 Ca -0.20 -3.79 -0.25 0.00 -0.50 0.00 0.00 54.79 50.05 2rpi n ASP 53 Cb 0.49 -0.97 -0.03 0.00 -1.14 0.00 0.00 41.12 39.47 2rpi n ASP 53 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2rpi s SER 54 N -1.83 6.17 0.00 -1.12 0.01 -1.26 -4.92 113.70 110.74 2rpi s SER 54 Ca 0.64 0.09 0.19 0.00 1.31 0.00 0.00 55.95 58.17 2rpi s SER 54 Cb 0.50 -1.81 0.52 0.00 0.21 0.00 0.00 66.02 65.44 2rpi s SER 54 CO -0.04 0.03 1.43 1.41 0.41 0.00 0.00 173.24 176.48 2rpi n HIS 55 N -0.66 0.62 -0.04 2.43 8.25 -1.26 -3.62 115.22 120.95 2rpi n HIS 55 Ca -0.08 -0.31 -0.07 0.00 -0.26 0.00 0.00 57.72 57.00 2rpi n HIS 55 Cb 0.55 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 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 1.07 0.00 -0.22 4.41 9.36 -1.26 -3.98 117.16 126.54 2rpi n TYR 56 Ca 0.18 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.33 2rpi n TYR 56 Cb 0.47 -0.27 0.03 0.00 -0.63 0.00 0.00 39.34 38.94 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 -0.21 0.83 0.30 2.98 4.07 -1.92 -1.91 115.31 119.46 2rpi h LEU 57 Ca -0.19 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 57.60 2rpi h LEU 57 Cb 1.18 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.71 2rpi h LEU 57 CO -0.10 0.76 -0.15 0.50 -1.08 0.00 0.00 178.44 178.38 2rpi h LYS 58 N 0.85 -0.39 -0.92 1.13 3.64 -1.83 -2.49 116.57 116.55 2rpi h LYS 58 Ca 0.21 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.82 2rpi h LYS 58 Cb 0.18 0.09 -0.17 0.00 -0.41 0.00 0.00 32.23 31.91 2rpi h LYS 58 CO -0.02 -0.06 -0.13 -0.22 -2.27 0.00 0.00 179.45 176.75 2rpi h LYS 59 N -0.90 0.02 0.57 1.90 3.64 -1.67 1.01 116.57 121.13 2rpi h LYS 59 Ca -0.04 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2rpi h LYS 59 Cb 0.52 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2rpi h LYS 59 CO 0.07 0.01 -0.28 0.00 -2.27 0.00 0.00 179.45 176.98 2rpi h ALA 60 N 1.91 -0.88 -0.47 5.00 0.00 -1.38 -2.07 119.26 121.38 2rpi h ALA 60 Ca 0.48 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.27 2rpi h ALA 60 Cb 0.83 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 2rpi h ALA 60 CO -0.90 -0.83 0.21 0.35 0.00 0.00 0.00 179.25 178.08 2rpi h PHE 61 N -1.04 0.37 0.00 0.00 3.04 -0.88 -1.58 116.94 116.85 2rpi h PHE 61 Ca -0.08 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.86 2rpi h PHE 61 Cb 0.59 -0.10 -0.00 0.00 2.56 0.00 0.00 35.95 39.00 2rpi h PHE 61 CO 0.03 0.17 -0.14 1.79 -2.02 0.00 0.00 178.31 178.13 2rpi h THR 62 N 0.41 0.73 0.00 4.41 1.35 0.95 0.36 112.91 121.11 2rpi h THR 62 Ca 0.21 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 2rpi h THR 62 Cb 0.16 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 2rpi h THR 62 CO -0.18 0.14 0.00 -0.62 -0.25 0.00 0.00 175.52 174.61 2rpi n GLU 63 N -3.83 0.25 -0.33 4.72 1.02 -0.63 -4.86 120.64 116.98 2rpi n GLU 63 Ca -0.02 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2rpi n GLU 63 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 1.33 0.00 0.07 0.62 0.00 0.11 -4.65 105.19 102.67 2rpi n GLY 64 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.59 0.05 -0.02 1.61 2.14 -1.26 -3.57 117.44 115.80 2rpi n TRP 65 Ca 0.00 -0.02 0.01 0.00 2.07 0.00 0.00 57.50 59.56 2rpi n TRP 65 Cb 0.14 0.00 0.34 0.00 -0.81 0.00 0.00 31.31 30.98 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 0.21 0.52 -0.31 5.67 6.46 -1.83 0.41 115.31 126.45 2rpi h LEU 66 Ca 0.00 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 2rpi h LEU 66 Cb 0.05 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 2rpi h LEU 66 CO 0.00 0.49 0.13 -0.08 -0.62 0.00 0.00 178.44 178.36 2rpi h GLU 67 N 0.57 0.46 -0.71 1.25 4.81 -1.97 -1.86 114.58 117.13 2rpi h GLU 67 Ca 0.14 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2rpi h GLU 67 Cb 0.15 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 2rpi h GLU 67 CO -0.01 0.46 0.43 0.78 -0.73 0.00 0.00 179.01 179.94 2rpi h GLY 68 N 0.35 1.03 -0.65 1.92 0.00 -1.29 -1.90 103.07 102.54 2rpi h GLY 68 Ca 0.10 -0.32 0.13 0.00 0.00 0.00 0.00 47.33 47.25 2rpi h GLY 68 CO -0.01 0.24 -0.34 1.49 0.00 0.00 0.00 176.54 177.92 2rpi h TRP 69 N 0.82 -0.93 -0.70 5.60 4.06 0.57 1.80 115.95 127.17 2rpi h TRP 69 Ca 0.30 0.08 0.08 0.00 2.06 0.00 0.00 58.89 61.41 2rpi h TRP 69 Cb 0.08 0.52 -0.07 0.00 -1.00 0.00 0.00 29.16 28.70 2rpi h TRP 69 CO -0.05 -0.39 0.37 0.00 -3.56 0.00 0.00 178.44 174.81 2rpi h ARG 70 N -0.09 0.62 -0.00 0.49 3.08 -1.05 0.21 114.38 117.64 2rpi h ARG 70 Ca 0.29 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2rpi h ARG 70 Cb 0.57 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2rpi h ARG 70 CO -0.81 0.41 -0.01 1.63 -1.07 0.00 0.00 179.97 180.13 2rpi n LYS 71 N -4.83 0.34 -0.24 0.04 4.01 0.19 -3.10 118.16 114.57 2rpi n LYS 71 Ca 0.10 -0.01 0.11 0.00 -0.51 0.00 0.00 58.31 58.01 2rpi n LYS 71 Cb 0.24 -1.50 0.27 0.00 -0.51 0.00 0.00 35.03 33.53 2rpi n LYS 71 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2rpi n ARG 72 N -1.32 2.40 -0.73 1.97 1.74 0.56 -4.91 116.66 116.37 2rpi n ARG 72 Ca 0.13 -2.15 0.00 0.00 -0.77 0.00 0.00 57.85 55.06 2rpi n ARG 72 Cb 0.26 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 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 1.47 0.23 1.84 -0.13 0.00 -1.01 -3.89 105.19 103.70 2rpi n GLY 73 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.07 -1.09 -4.13 1.61 7.02 -0.97 -5.03 117.44 112.78 2rpi n TRP 74 Ca 0.00 0.47 -0.11 0.00 -1.02 0.00 0.00 57.50 56.85 2rpi n TRP 74 Cb 0.09 -2.21 -0.09 0.00 -2.42 0.00 0.00 31.31 26.69 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 -0.65 1.25 0.68 -0.99 3.00 -1.25 -3.72 118.95 117.27 2rpi s ARG 75 Ca 0.01 -1.48 -0.06 0.00 0.00 0.00 0.00 55.73 54.20 2rpi s ARG 75 Cb -0.00 0.32 0.05 0.00 0.00 0.00 0.00 34.95 35.32 2rpi s ARG 75 CO 0.22 -0.44 0.98 0.95 0.00 0.00 0.00 175.30 177.01 2rpi s THR 76 N -4.10 2.43 -0.10 0.02 -4.23 0.28 -4.69 115.64 105.24 2rpi s THR 76 Ca 0.32 -0.29 0.13 0.00 -1.18 0.00 0.00 61.69 60.67 2rpi s THR 76 Cb 0.05 -3.04 0.13 0.00 1.34 0.00 0.00 72.50 70.98 2rpi s THR 76 CO 0.09 -0.04 1.32 0.00 -0.54 0.00 0.00 174.62 175.45 2rpi n ALA 77 N -2.83 0.71 -0.03 3.99 0.00 -1.26 -0.54 120.51 120.55 2rpi n ALA 77 Ca 0.08 0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.42 2rpi n ALA 77 Cb 0.60 -0.88 -0.13 0.00 0.00 0.00 0.00 19.45 19.04 2rpi n ALA 77 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2rpi h GLU 78 N 0.00 0.19 0.00 0.00 4.81 -1.99 -3.48 114.58 114.10 2rpi h GLU 78 Ca 0.00 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2rpi h GLU 78 Cb 0.45 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2rpi h GLU 78 CO 0.00 1.15 0.00 0.41 -0.73 0.00 0.00 179.01 179.84 2rpi n GLY 79 N 1.79 -0.07 3.90 1.92 0.00 0.29 -5.14 105.19 107.89 2rpi n GLY 79 Ca -0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 3.41 0.95 1.61 -2.85 -1.26 -4.71 119.74 116.89 2rpi s LYS 80 Ca 0.00 -0.36 -0.16 0.00 -1.00 0.00 0.00 55.97 54.45 2rpi s LYS 80 Cb 0.00 -3.07 -0.14 0.00 -2.06 0.00 0.00 37.83 32.56 2rpi s LYS 80 CO 0.00 0.66 -0.78 -2.30 0.10 0.00 0.00 175.35 173.03 2rpi n PRO 81 N 0.82 0.00 -3.40 1.78 -0.02 -1.26 0.99 135.00 133.91 2rpi n PRO 81 Ca -0.10 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.00 2rpi n PRO 81 Cb 0.52 -0.95 -0.06 0.00 -0.02 0.00 0.00 33.50 33.00 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 -1.89 5.00 0.35 -1.45 1.01 -1.24 -4.09 120.40 118.08 2rpi s VAL 82 Ca 0.38 0.96 -0.21 0.00 0.00 0.00 0.00 61.98 63.11 2rpi s VAL 82 Cb -0.16 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 2rpi s VAL 82 CO 0.78 0.51 0.88 -0.54 0.00 0.00 0.00 175.10 176.73 2rpi s LYS 83 N -0.67 4.29 0.00 2.72 -0.14 -1.26 -3.30 119.74 121.38 2rpi s LYS 83 Ca 0.26 1.06 0.00 0.00 -1.36 0.00 0.00 55.97 55.92 2rpi s LYS 83 Cb -0.17 -2.49 0.00 0.00 -1.68 0.00 0.00 37.83 33.49 2rpi s LYS 83 CO 0.14 0.15 0.00 0.09 -0.76 0.00 0.00 175.35 174.97 2rpi n ASN 84 N -0.07 -4.06 -0.09 2.83 5.03 -1.26 -4.82 115.26 112.82 2rpi n ASN 84 Ca 0.04 0.00 0.25 0.00 0.87 0.00 0.00 54.58 55.73 2rpi n ASN 84 Cb 0.52 -2.03 0.53 0.00 -1.02 0.00 0.00 39.78 37.79 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 0.57 0.00 -0.01 3.52 -0.00 -1.98 1.26 114.38 117.74 2rpi h ARG 85 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 59.98 59.73 2rpi h ARG 85 Cb 0.47 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.46 2rpi h ARG 85 CO 0.00 0.00 -0.99 0.22 -0.00 0.00 0.00 179.97 179.20 2rpi h ASP 86 N 0.00 0.89 -0.27 0.08 3.58 -1.89 0.32 116.42 119.14 2rpi h ASP 86 Ca 0.37 -0.73 -0.12 0.00 0.42 0.00 0.00 57.03 56.97 2rpi h ASP 86 Cb 2.27 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 43.05 2rpi h ASP 86 CO -0.00 1.50 -0.32 -0.07 -2.88 0.00 0.00 179.24 177.47 2rpi h LEU 87 N 0.37 0.74 0.77 2.28 3.38 0.11 -2.28 115.31 120.67 2rpi h LEU 87 Ca -0.12 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.32 2rpi h LEU 87 Cb 1.64 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 42.19 2rpi h LEU 87 CO 0.19 1.08 -0.37 -0.50 0.09 0.00 0.00 178.44 178.94 2rpi h TRP 88 N 0.42 -0.95 -0.84 1.13 4.06 -1.03 0.43 115.95 119.16 2rpi h TRP 88 Ca 0.04 -0.02 0.24 0.00 2.06 0.00 0.00 58.89 61.20 2rpi h TRP 88 Cb 0.89 0.32 -0.04 0.00 -1.00 0.00 0.00 29.16 29.33 2rpi h TRP 88 CO 0.08 -0.59 0.60 0.93 -3.56 0.00 0.00 178.44 175.90 2rpi h GLU 89 N -1.26 0.03 0.16 0.49 5.08 -0.43 1.45 114.58 120.09 2rpi h GLU 89 Ca -0.11 -0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.03 2rpi h GLU 89 Cb 0.79 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 30.06 2rpi h GLU 89 CO 0.17 0.02 -0.99 0.00 -1.00 0.00 0.00 179.01 177.22 2rpi h ALA 90 N 1.58 -0.09 -0.54 3.43 0.00 -1.23 -2.53 119.26 119.88 2rpi h ALA 90 Ca 0.40 -0.73 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 2rpi h ALA 90 Cb 1.57 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 2rpi h ALA 90 CO -0.02 0.47 0.06 1.25 0.00 0.00 0.00 179.25 181.01 2rpi h LEU 91 N -0.18 0.83 -0.59 0.00 6.46 0.28 -0.36 115.31 121.76 2rpi h LEU 91 Ca -0.17 -0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 57.38 2rpi h LEU 91 Cb 1.76 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 41.44 2rpi h LEU 91 CO 0.19 0.86 0.28 0.25 -0.62 0.00 0.00 178.44 179.40 2rpi h LEU 92 N 0.82 0.78 -0.95 2.25 5.85 0.18 0.80 115.31 125.04 2rpi h LEU 92 Ca 0.17 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 2rpi h LEU 92 Cb 0.41 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2rpi h LEU 92 CO 0.01 0.70 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.70 2rpi h LEU 93 N 0.80 0.70 0.00 2.25 3.38 -1.05 -1.82 115.31 119.57 2rpi h LEU 93 Ca 0.20 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2rpi h LEU 93 Cb 0.13 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2rpi h LEU 93 CO -0.02 0.79 -0.03 0.00 0.09 0.00 0.00 178.44 179.27 2rpi n ALA 94 N -2.48 2.33 0.96 1.53 0.00 -0.18 -3.18 120.51 119.50 2rpi n ALA 94 Ca 0.02 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.53 2rpi n ALA 94 Cb 0.31 -1.45 0.26 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.13 2.15 -0.07 0.00 2.81 0.27 -4.13 117.12 116.02 2rpi n MET 95 Ca 0.06 -1.69 -0.11 0.00 -1.81 0.00 0.00 57.70 54.15 2rpi n MET 95 Cb 0.42 -1.47 -0.09 0.00 -0.71 0.00 0.00 33.22 31.37 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 4.48 0.02 -0.24 3.04 0.00 -1.42 -3.35 119.26 121.79 2rpi h ALA 96 Ca 0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 2rpi h ALA 96 Cb 0.81 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2rpi h ALA 96 CO 0.00 0.06 -0.16 -1.35 0.00 0.00 0.00 179.25 177.80 2rpi h PRO 97 N -1.00 0.41 -6.90 0.00 0.11 -1.75 -3.45 132.00 119.42 2rpi h PRO 97 Ca -0.02 -0.12 -0.46 0.00 0.11 0.00 0.00 66.00 65.51 2rpi h PRO 97 Cb 0.74 -0.04 0.04 0.00 0.11 0.00 0.00 31.00 31.85 2rpi h PRO 97 CO -0.01 0.56 0.03 -1.01 -0.21 0.00 0.00 178.00 177.36 2rpi s HIS 98 N -4.67 3.17 -2.96 0.65 3.76 -1.26 -4.61 115.29 109.39 2rpi s HIS 98 Ca -0.06 0.37 0.24 0.00 -0.15 0.00 0.00 55.06 55.45 2rpi s HIS 98 Cb 0.15 -2.57 0.25 0.00 1.11 0.00 0.00 32.58 31.52 2rpi s HIS 98 CO 0.77 -0.65 1.30 0.54 -0.85 0.00 0.00 174.74 175.85 2rpi n ARG 99 N -2.34 2.29 0.00 1.40 3.00 -1.17 -4.88 116.66 114.96 2rpi n ARG 99 Ca 0.04 -1.87 0.00 0.00 -0.01 0.00 0.00 57.85 56.01 2rpi n ARG 99 Cb 0.58 -1.46 0.00 0.00 0.00 0.00 0.00 32.46 31.58 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 1.27 0.00 -3.73 1.55 3.14 -1.21 -4.74 118.33 114.61 2rpi n VAL 100 Ca 0.14 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.20 2rpi n VAL 100 Cb 0.58 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.32 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 3.59 -0.17 1.45 0.52 0.14 -4.85 118.95 119.62 2rpi s ARG 101 Ca 0.00 -0.13 -0.04 0.00 -0.52 0.00 0.00 55.73 55.04 2rpi s ARG 101 Cb 0.00 -2.95 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 2rpi s ARG 101 CO 0.00 0.54 -0.03 -0.06 0.02 0.00 0.00 175.30 175.77 2rpi s PHE 102 N -1.53 3.01 -0.40 -0.53 0.40 -1.26 -1.69 117.98 115.99 2rpi s PHE 102 Ca 0.36 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 56.28 2rpi s PHE 102 Cb -0.13 -2.01 0.14 0.00 0.51 0.00 0.00 43.02 41.54 2rpi s PHE 102 CO 0.23 -0.15 0.23 -1.01 0.70 0.00 0.00 175.22 175.21 2rpi s HIS 103 N 0.66 1.37 -0.64 0.36 3.76 -0.59 -4.96 115.29 115.26 2rpi s HIS 103 Ca -0.02 -2.04 -0.26 0.00 -0.15 0.00 0.00 55.06 52.59 2rpi s HIS 103 Cb -0.14 -1.41 -0.04 0.00 1.11 0.00 0.00 32.58 32.10 2rpi s HIS 103 CO 0.02 -0.80 2.00 -0.06 -0.85 0.00 0.00 174.74 175.05 2rpi s PHE 104 N 0.68 1.55 -1.17 1.40 0.08 -1.26 -2.29 117.98 116.97 2rpi s PHE 104 Ca 0.18 0.97 -0.10 0.00 0.12 0.00 0.00 56.93 58.10 2rpi s PHE 104 Cb -0.23 -3.96 0.23 0.00 -0.57 0.00 0.00 43.02 38.50 2rpi s PHE 104 CO 0.00 -2.23 1.39 0.28 -0.10 0.00 0.00 175.22 174.56 2rpi n VAL 105 N 7.53 4.55 0.56 -0.44 0.31 -1.22 -4.94 118.33 124.69 2rpi n VAL 105 Ca 0.28 -5.12 0.07 0.00 -0.01 0.00 0.00 64.34 59.56 2rpi n VAL 105 Cb 0.51 -2.44 0.06 0.00 -0.91 0.00 0.00 33.84 31.06 2rpi n VAL 105 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80