#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 -4.14 6.12 3.02 -1.26 -5.16 115.26 113.84 2rpi n ASN 2 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.19 2rpi n ASN 2 Cb 0.00 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.27 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 -0.86 -0.78 0.00 3.52 -0.02 -1.26 -4.96 135.00 130.64 2rpi n PRO 3 Ca 0.00 -0.22 -0.21 0.00 -2.02 0.00 0.00 63.50 61.06 2rpi n PRO 3 Cb 0.00 -1.35 -0.14 0.00 -0.02 0.00 0.00 33.50 31.99 2rpi n PRO 3 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2rpi n SER 4 N 0.91 2.05 0.00 2.55 2.88 -1.26 -4.63 113.62 116.12 2rpi n SER 4 Ca -0.01 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 2rpi n SER 4 Cb 0.68 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 2rpi n SER 4 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2rpi n PRO 5 N -3.45 0.00 0.16 -1.46 -0.02 -1.26 -4.90 135.00 124.07 2rpi n PRO 5 Ca -0.31 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2rpi n PRO 5 Cb 1.05 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 33.44 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 -1.07 0.00 -3.15 -0.52 1.74 -1.26 -5.10 116.66 107.30 2rpi n ARG 6 Ca 0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.14 2rpi n ARG 6 Cb 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 0.05 -0.15 5.56 2.47 -1.26 -4.83 119.74 119.75 2rpi s LYS 7 Ca 0.00 0.06 -0.29 0.00 -1.56 0.00 0.00 55.97 54.17 2rpi s LYS 7 Cb 0.00 0.03 -0.01 0.00 -1.46 0.00 0.00 37.83 36.39 2rpi s LYS 7 CO 0.00 -0.10 1.10 0.50 0.16 0.00 0.00 175.35 177.01 2rpi s ARG 8 N 2.98 4.32 -0.14 4.03 3.52 -1.26 -1.84 118.95 130.57 2rpi s ARG 8 Ca 0.27 1.48 -0.03 0.00 -0.13 0.00 0.00 55.73 57.33 2rpi s ARG 8 Cb -0.01 -3.62 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 2rpi s ARG 8 CO -0.21 -0.51 -0.05 0.08 -0.81 0.00 0.00 175.30 173.80 2rpi s VAL 9 N 2.71 3.79 -1.08 7.11 1.01 -0.68 -4.94 120.40 128.31 2rpi s VAL 9 Ca 0.49 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 2rpi s VAL 9 Cb -0.19 -2.63 0.19 0.00 0.00 0.00 0.00 36.38 33.74 2rpi s VAL 9 CO 0.14 0.52 1.22 0.00 0.00 0.00 0.00 175.10 176.98 2rpi s ALA 10 N 0.12 4.00 -0.35 5.51 0.00 -1.26 0.65 121.76 130.43 2rpi s ALA 10 Ca -0.02 -3.31 -0.15 0.00 0.00 0.00 0.00 51.96 48.49 2rpi s ALA 10 Cb -0.14 -3.93 -0.01 0.00 0.00 0.00 0.00 23.12 19.04 2rpi s ALA 10 CO 0.03 -2.66 0.33 -1.17 0.00 0.00 0.00 175.76 172.30 2rpi s LEU 11 N 1.13 4.49 -0.50 0.00 0.20 -1.22 -5.00 118.68 117.78 2rpi s LEU 11 Ca 0.35 -0.31 -0.17 0.00 0.69 0.00 0.00 54.13 54.69 2rpi s LEU 11 Cb -0.06 -2.29 0.07 0.00 -0.43 0.00 0.00 46.19 43.49 2rpi s LEU 11 CO -0.05 -0.32 0.53 -0.36 -0.29 0.00 0.00 176.35 175.86 2rpi s PHE 12 N 1.94 3.14 -1.05 5.38 0.08 -1.26 -0.76 117.98 125.45 2rpi s PHE 12 Ca 0.10 -0.75 -0.26 0.00 0.12 0.00 0.00 56.93 56.14 2rpi s PHE 12 Cb -0.17 -3.42 -0.18 0.00 -0.57 0.00 0.00 43.02 38.68 2rpi s PHE 12 CO 0.11 -0.95 2.12 0.95 -0.10 0.00 0.00 175.22 177.36 2rpi s THR 13 N 2.18 3.14 -0.60 0.64 -4.23 -0.55 -4.68 115.64 111.53 2rpi s THR 13 Ca 0.10 -0.21 0.03 0.00 -1.18 0.00 0.00 61.69 60.43 2rpi s THR 13 Cb -0.22 -3.95 0.38 0.00 1.34 0.00 0.00 72.50 70.06 2rpi s THR 13 CO 0.09 -0.25 1.36 -0.90 -0.54 0.00 0.00 174.62 174.38 2rpi n ASP 14 N 18.40 5.56 0.00 3.99 5.75 -1.26 -4.66 116.55 144.33 2rpi n ASP 14 Ca 0.43 -3.74 0.00 0.00 -0.01 0.00 0.00 54.79 51.46 2rpi n ASP 14 Cb 0.46 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 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 -0.43 0.00 0.23 6.12 0.00 -1.26 -4.93 105.19 104.92 2rpi n GLY 15 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.77 0.00 -1.66 4.61 0.00 -1.26 -5.02 120.51 115.40 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 -2.66 -3.05 -0.20 0.00 0.00 -1.26 -5.02 120.51 108.32 2rpi n ALA 17 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2rpi n ALA 17 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.07 0.00 -4.37 0.00 -0.00 -1.26 -4.76 117.00 106.54 2rpi n LEU 18 Ca 0.00 -0.05 -0.38 0.00 -0.00 0.00 0.00 56.01 55.59 2rpi n LEU 18 Cb 0.02 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.48 2rpi n LEU 18 CO 0.06 0.25 -0.23 0.61 -0.00 0.00 0.00 177.39 178.09 2rpi n GLY 19 N 0.00 -2.20 0.33 1.47 0.00 -1.26 -4.69 105.19 98.84 2rpi n GLY 19 Ca 0.00 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.12 -0.47 0.25 1.61 -0.73 -2.03 0.47 115.58 114.57 2rpi h ASN 20 Ca -0.44 0.26 -0.01 0.00 1.87 0.00 0.00 56.30 57.97 2rpi h ASN 20 Cb 1.39 0.46 0.00 0.00 0.27 0.00 0.00 38.32 40.44 2rpi h ASN 20 CO 0.42 -0.30 -0.12 -0.65 -0.37 0.00 0.00 177.43 176.41 2rpi h PRO 21 N 0.04 -0.33 0.00 6.67 0.11 -2.05 -3.50 132.00 132.96 2rpi h PRO 21 Ca 0.54 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.67 2rpi h PRO 21 Cb 1.04 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2rpi h PRO 21 CO -0.86 -0.12 0.00 0.41 -0.21 0.00 0.00 178.00 177.23 2rpi n GLY 22 N -0.84 3.13 0.15 -0.55 0.00 0.17 -4.80 105.19 102.45 2rpi n GLY 22 Ca -0.09 -1.89 0.06 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.49 0.08 0.08 1.61 -0.02 -1.26 -3.20 135.00 130.80 2rpi n PRO 23 Ca 0.00 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2rpi n PRO 23 Cb 0.00 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 -1.27 -0.13 0.00 -1.23 0.00 -1.26 -3.48 105.19 97.82 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 -1.30 0.00 0.00 0.00 173.32 172.02 2rpi n THR 25 N -1.22 0.00 0.11 2.61 -2.24 -1.21 -5.01 114.28 107.32 2rpi n THR 25 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 2rpi n THR 25 Cb 0.53 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.63 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 1.39 -0.40 4.28 1.35 -1.58 -2.34 112.91 115.61 2rpi h THR 26 Ca 0.00 -2.77 0.01 0.00 -0.55 0.00 0.00 66.41 63.11 2rpi h THR 26 Cb 0.00 2.85 -0.02 0.00 -1.73 0.00 0.00 68.15 69.24 2rpi h THR 26 CO 0.00 0.82 0.25 -1.13 -0.25 0.00 0.00 175.52 175.21 2rpi h ASN 27 N 0.16 0.42 -0.67 5.36 -0.00 -1.79 1.81 115.58 120.86 2rpi h ASN 27 Ca -0.17 -0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.10 2rpi h ASN 27 Cb 1.96 -0.10 -0.03 0.00 -0.00 0.00 0.00 38.32 40.15 2rpi h ASN 27 CO 0.22 0.30 0.29 0.78 -0.00 0.00 0.00 177.43 179.03 2rpi h ASN 28 N 0.51 0.90 -0.52 1.15 2.35 -1.82 0.81 115.58 118.96 2rpi h ASN 28 Ca 0.16 -0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 2rpi h ASN 28 Cb -0.02 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 2rpi h ASN 28 CO -0.05 0.80 -0.06 -0.09 -1.65 0.00 0.00 177.43 176.38 2rpi h ARG 29 N 0.94 0.99 -0.47 0.81 2.43 -0.73 0.47 114.38 118.82 2rpi h ARG 29 Ca 0.23 -0.33 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 2rpi h ARG 29 Cb 0.16 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2rpi h ARG 29 CO -0.02 1.01 -0.04 0.52 -1.51 0.00 0.00 179.97 179.93 2rpi h MET 30 N 0.89 0.85 -0.13 0.20 2.86 0.36 1.68 114.93 121.63 2rpi h MET 30 Ca 0.15 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.42 2rpi h MET 30 Cb 0.61 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 2rpi h MET 30 CO 0.04 0.92 -0.27 0.93 1.06 0.00 0.00 176.91 179.58 2rpi h GLU 31 N 0.69 0.24 -0.12 1.72 5.08 0.90 0.13 114.58 123.23 2rpi h GLU 31 Ca 0.13 -0.08 -0.23 0.00 -1.00 0.00 0.00 59.36 58.17 2rpi h GLU 31 Cb 0.56 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.80 2rpi h GLU 31 CO 0.03 0.50 -0.83 1.25 -1.00 0.00 0.00 179.01 178.96 2rpi h LEU 32 N 0.22 0.90 -0.26 1.33 5.85 0.69 -1.77 115.31 122.27 2rpi h LEU 32 Ca 0.03 -0.62 -0.01 0.00 0.84 0.00 0.00 57.88 58.12 2rpi h LEU 32 Cb 0.60 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2rpi h LEU 32 CO 0.04 1.42 0.12 0.50 -0.34 0.00 0.00 178.44 180.18 2rpi h LYS 33 N 0.49 0.38 0.00 1.25 3.11 0.32 -1.58 116.57 120.54 2rpi h LYS 33 Ca -0.07 -0.06 -0.05 0.00 -2.81 0.00 0.00 60.65 57.67 2rpi h LYS 33 Cb 1.46 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.62 2rpi h LYS 33 CO 0.17 0.38 -0.24 0.00 -2.81 0.00 0.00 179.45 176.94 2rpi h ALA 34 N 0.98 1.49 0.61 5.00 0.00 -0.80 -2.31 119.26 124.23 2rpi h ALA 34 Ca 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2rpi h ALA 34 Cb 0.13 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2rpi h ALA 34 CO -0.01 0.30 -0.29 0.00 0.00 0.00 0.00 179.25 179.25 2rpi h ALA 35 N 1.76 -0.82 -0.96 0.00 0.00 -0.55 1.90 119.26 120.60 2rpi h ALA 35 Ca -0.00 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 54.84 2rpi h ALA 35 Cb 0.46 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.47 2rpi h ALA 35 CO 0.03 -0.83 0.58 -0.84 0.00 0.00 0.00 179.25 178.19 2rpi h ILE 36 N -1.08 0.83 -0.13 0.00 -0.00 -1.22 0.32 117.51 116.24 2rpi h ILE 36 Ca -0.08 -0.29 -0.15 0.00 -0.00 0.00 0.00 64.86 64.33 2rpi h ILE 36 Cb 0.68 -0.10 -0.01 0.00 -0.00 0.00 0.00 36.82 37.39 2rpi h ILE 36 CO 0.14 0.16 -0.57 -0.33 -0.00 0.00 0.00 178.15 177.54 2rpi h GLU 37 N 0.86 0.41 0.00 0.16 4.39 -1.25 0.44 114.58 119.58 2rpi h GLU 37 Ca 0.50 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.94 2rpi h GLU 37 Cb 0.60 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2rpi h GLU 37 CO -0.31 0.87 0.00 0.41 -1.16 0.00 0.00 179.01 178.82 2rpi n GLY 38 N 0.25 -1.04 0.00 -3.84 0.00 0.65 -0.54 105.19 100.67 2rpi n GLY 38 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.25 0.00 -0.00 0.99 4.77 0.16 -4.66 117.00 117.00 2rpi n LEU 39 Ca 0.12 -0.13 0.11 0.00 -0.03 0.00 0.00 56.01 56.08 2rpi n LEU 39 Cb 0.18 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.11 2rpi n LEU 39 CO 0.18 0.00 -0.70 1.17 -1.33 0.00 0.00 177.39 176.70 2rpi n LYS 40 N -1.06 0.66 -0.12 3.23 4.81 0.15 -3.52 118.16 122.31 2rpi n LYS 40 Ca 0.00 -0.17 0.07 0.00 -0.87 0.00 0.00 58.31 57.34 2rpi n LYS 40 Cb 0.00 -1.54 0.25 0.00 0.02 0.00 0.00 35.03 33.75 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 -2.26 2.48 0.04 3.14 0.00 0.30 -4.34 120.51 119.88 2rpi n ALA 41 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2rpi n ALA 41 Cb 0.58 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 0.32 0.95 -1.00 0.00 4.77 -1.26 -5.00 117.00 115.79 2rpi n LEU 42 Ca 0.13 0.13 -0.13 0.00 -0.03 0.00 0.00 56.01 56.10 2rpi n LEU 42 Cb 0.28 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2rpi n LEU 42 CO 0.09 -0.72 -0.12 0.29 -1.33 0.00 0.00 177.39 175.60 2rpi n LYS 43 N -3.36 -1.33 -3.51 3.23 5.02 -1.23 -4.94 118.16 112.04 2rpi n LYS 43 Ca 0.00 0.94 -0.42 0.00 -2.02 0.00 0.00 58.31 56.81 2rpi n LYS 43 Cb 0.00 -5.18 -0.08 0.00 -0.02 0.00 0.00 35.03 29.75 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 -3.02 2.57 -0.84 1.97 0.41 -1.26 -5.02 118.70 113.51 2rpi s GLU 44 Ca 0.00 -1.78 -0.33 0.00 -0.41 0.00 0.00 54.97 52.45 2rpi s GLU 44 Cb 0.00 -3.99 -0.20 0.00 -1.78 0.00 0.00 34.13 28.16 2rpi s GLU 44 CO 0.00 -1.22 2.55 -2.30 -0.49 0.00 0.00 175.26 173.80 2rpi n PRO 45 N 4.93 0.13 -4.12 0.39 -0.02 -1.26 -4.88 135.00 130.17 2rpi n PRO 45 Ca -0.08 0.01 -0.11 0.00 -2.02 0.00 0.00 63.50 61.30 2rpi n PRO 45 Cb 0.41 -1.70 -0.11 0.00 -0.02 0.00 0.00 33.50 32.08 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 8.61 0.76 -1.25 3.55 0.00 -1.26 -4.54 121.76 127.63 2rpi s ALA 46 Ca 1.29 -1.09 -0.15 0.00 0.00 0.00 0.00 51.96 52.01 2rpi s ALA 46 Cb -1.20 0.12 0.13 0.00 0.00 0.00 0.00 23.12 22.17 2rpi s ALA 46 CO 0.50 -0.16 1.58 0.39 0.00 0.00 0.00 175.76 178.08 2rpi n GLU 47 N 0.61 3.31 -2.49 0.00 1.02 -0.77 -3.05 120.64 119.27 2rpi n GLU 47 Ca -0.17 -3.61 -0.43 0.00 -0.02 0.00 0.00 57.16 52.94 2rpi n GLU 47 Cb 0.58 -3.21 -0.02 0.00 -0.02 0.00 0.00 31.44 28.77 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 2.53 4.00 -1.38 2.62 1.01 -1.26 -1.69 120.40 126.22 2rpi s VAL 48 Ca 0.47 0.96 -0.15 0.00 0.00 0.00 0.00 61.98 63.25 2rpi s VAL 48 Cb 0.00 -4.51 0.03 0.00 0.00 0.00 0.00 36.38 31.90 2rpi s VAL 48 CO 0.03 -1.07 2.15 -0.67 0.00 0.00 0.00 175.10 175.54 2rpi n ASP 49 N 8.60 3.86 -4.60 3.32 -0.08 0.21 -0.14 116.55 127.72 2rpi n ASP 49 Ca 0.12 -2.83 -0.43 0.00 -1.51 0.00 0.00 54.79 50.14 2rpi n ASP 49 Cb 0.49 -1.62 -0.03 0.00 2.34 0.00 0.00 41.12 42.30 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 2.41 3.51 -0.46 -2.67 0.20 -0.83 -3.43 118.68 117.41 2rpi s LEU 50 Ca 0.49 1.26 -0.21 0.00 0.69 0.00 0.00 54.13 56.36 2rpi s LEU 50 Cb 0.13 -3.51 0.03 0.00 -0.43 0.00 0.00 46.19 42.41 2rpi s LEU 50 CO -0.05 -1.68 0.68 -0.31 -0.29 0.00 0.00 176.35 174.69 2rpi s TYR 51 N 6.75 3.03 -0.21 5.38 1.51 0.06 -1.99 117.35 131.88 2rpi s TYR 51 Ca 0.78 -0.12 0.02 0.00 -1.01 0.00 0.00 57.07 56.74 2rpi s TYR 51 Cb -0.22 -3.48 0.03 0.00 -0.11 0.00 0.00 41.96 38.19 2rpi s TYR 51 CO 0.34 -0.96 -0.17 -0.08 -1.11 0.00 0.00 175.55 173.57 2rpi s THR 52 N 2.93 2.09 -0.68 -0.71 -1.32 -1.19 -1.48 115.64 115.28 2rpi s THR 52 Ca 0.23 -1.17 -0.02 0.00 -1.21 0.00 0.00 61.69 59.52 2rpi s THR 52 Cb -0.15 -1.99 0.43 0.00 -1.51 0.00 0.00 72.50 69.28 2rpi s THR 52 CO 0.18 0.35 2.04 -0.90 -2.21 0.00 0.00 174.62 174.08 2rpi n ASP 53 N 4.56 7.66 -4.90 8.08 5.75 -1.26 -3.45 116.55 132.99 2rpi n ASP 53 Ca -0.19 -3.78 -0.27 0.00 -0.01 0.00 0.00 54.79 50.54 2rpi n ASP 53 Cb 0.47 -0.99 -0.04 0.00 -1.03 0.00 0.00 41.12 39.53 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 -1.67 6.11 0.00 -1.12 0.01 -1.26 -4.92 113.70 110.85 2rpi s SER 54 Ca 0.62 0.12 0.18 0.00 1.31 0.00 0.00 55.95 58.18 2rpi s SER 54 Cb 0.49 -1.79 0.51 0.00 0.21 0.00 0.00 66.02 65.44 2rpi s SER 54 CO -0.06 0.09 1.42 1.41 0.41 0.00 0.00 173.24 176.50 2rpi n HIS 55 N -0.27 0.61 -0.04 2.43 8.25 -1.26 -3.62 115.22 121.33 2rpi n HIS 55 Ca -0.07 -0.31 -0.08 0.00 -0.26 0.00 0.00 57.72 57.01 2rpi n HIS 55 Cb 0.53 0.00 -0.03 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 1.03 0.00 -0.16 4.41 9.36 -1.26 -4.04 117.16 126.50 2rpi n TYR 56 Ca 0.18 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.31 2rpi n TYR 56 Cb 0.46 -0.29 -0.00 0.00 -0.63 0.00 0.00 39.34 38.87 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 -0.22 0.68 0.35 2.98 4.07 -1.93 -1.83 115.31 119.42 2rpi h LEU 57 Ca -0.20 -0.23 -0.02 0.00 0.08 0.00 0.00 57.88 57.52 2rpi h LEU 57 Cb 1.20 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.77 2rpi h LEU 57 CO -0.10 0.73 -0.17 0.50 -1.08 0.00 0.00 178.44 178.32 2rpi h LYS 58 N 0.60 -0.46 -0.95 1.13 3.64 -1.84 -2.78 116.57 115.91 2rpi h LYS 58 Ca 0.14 0.03 0.29 0.00 -1.27 0.00 0.00 60.65 59.84 2rpi h LYS 58 Cb 0.32 0.10 -0.17 0.00 -0.41 0.00 0.00 32.23 32.07 2rpi h LYS 58 CO 0.00 -0.23 0.22 -0.22 -2.27 0.00 0.00 179.45 176.95 2rpi h LYS 59 N -1.08 0.08 0.50 1.90 3.64 -1.70 1.04 116.57 120.96 2rpi h LYS 59 Ca -0.05 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 2rpi h LYS 59 Cb 0.44 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2rpi h LYS 59 CO 0.08 0.06 -0.24 0.00 -2.27 0.00 0.00 179.45 177.08 2rpi h ALA 60 N 1.91 -0.82 -0.24 5.00 0.00 -1.38 -1.64 119.26 122.10 2rpi h ALA 60 Ca 0.64 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.36 2rpi h ALA 60 Cb 1.41 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 2rpi h ALA 60 CO -0.79 -0.77 -0.06 0.74 0.00 0.00 0.00 179.25 178.37 2rpi h PHE 61 N -0.94 0.38 0.00 0.00 -1.00 -1.08 -2.60 116.94 111.70 2rpi h PHE 61 Ca -0.07 -0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.67 2rpi h PHE 61 Cb 0.51 -0.11 -0.00 0.00 3.61 0.00 0.00 35.95 39.96 2rpi h PHE 61 CO 0.03 0.43 -0.02 1.79 -1.61 0.00 0.00 178.31 178.94 2rpi h THR 62 N 0.36 0.03 -0.00 -1.55 1.35 0.10 -2.93 112.91 110.27 2rpi h THR 62 Ca 0.08 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 2rpi h THR 62 Cb 0.33 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 2rpi h THR 62 CO 0.01 0.02 -0.02 -0.62 -0.25 0.00 0.00 175.52 174.66 2rpi n GLU 63 N -3.10 0.82 -0.39 4.72 1.02 -0.62 -4.86 120.64 118.23 2rpi n GLU 63 Ca 0.03 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2rpi n GLU 63 Cb 0.50 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 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 1.15 0.00 0.08 0.62 0.00 -1.11 -4.65 105.19 101.28 2rpi n GLY 64 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.76 0.04 -0.24 1.61 2.14 -1.26 -3.49 117.44 115.48 2rpi n TRP 65 Ca 0.00 -0.02 -0.05 0.00 2.07 0.00 0.00 57.50 59.50 2rpi n TRP 65 Cb 0.15 0.00 0.09 0.00 -0.81 0.00 0.00 31.31 30.74 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 0.28 1.02 -0.41 5.67 6.46 -1.83 0.46 115.31 126.97 2rpi h LEU 66 Ca 0.00 -0.18 0.05 0.00 -0.12 0.00 0.00 57.88 57.63 2rpi h LEU 66 Cb 0.06 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 39.68 2rpi h LEU 66 CO 0.00 0.94 0.13 -0.08 -0.62 0.00 0.00 178.44 178.81 2rpi h GLU 67 N 1.06 0.27 -0.64 1.25 4.57 -1.96 0.83 114.58 119.96 2rpi h GLU 67 Ca 0.23 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.47 2rpi h GLU 67 Cb 0.28 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.75 2rpi h GLU 67 CO -0.01 0.18 0.32 0.78 -1.18 0.00 0.00 179.01 179.11 2rpi h GLY 68 N 0.28 0.94 -0.84 1.92 0.00 -1.49 -1.71 103.07 102.17 2rpi h GLY 68 Ca 0.19 -0.21 0.13 0.00 0.00 0.00 0.00 47.33 47.44 2rpi h GLY 68 CO -0.21 0.09 -0.40 1.49 0.00 0.00 0.00 176.54 177.52 2rpi h TRP 69 N 0.59 -1.14 -0.65 5.60 4.06 0.13 2.71 115.95 127.24 2rpi h TRP 69 Ca 0.30 0.10 0.06 0.00 2.06 0.00 0.00 58.89 61.41 2rpi h TRP 69 Cb 0.26 0.63 -0.06 0.00 -1.00 0.00 0.00 29.16 28.99 2rpi h TRP 69 CO -0.10 -0.40 0.35 0.00 -3.56 0.00 0.00 178.44 174.72 2rpi h ARG 70 N -0.05 0.62 -0.00 0.49 3.08 -0.93 0.19 114.38 117.77 2rpi h ARG 70 Ca 0.29 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.31 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 -0.90 0.41 -0.05 1.63 -1.07 0.00 0.00 179.97 179.99 2rpi n LYS 71 N -4.82 0.60 -0.39 0.04 4.01 0.19 -3.13 118.16 114.66 2rpi n LYS 71 Ca 0.08 -0.11 0.11 0.00 -0.51 0.00 0.00 58.31 57.89 2rpi n LYS 71 Cb 0.19 -1.50 0.32 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 -1.11 2.76 -0.68 1.97 1.74 0.85 -4.90 116.66 117.31 2rpi n ARG 72 Ca 0.15 -2.60 0.00 0.00 -0.77 0.00 0.00 57.85 54.63 2rpi n ARG 72 Cb 0.25 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 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 1.59 0.00 1.80 -0.13 0.00 -0.97 -3.45 105.19 104.02 2rpi n GLY 73 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.77 -0.91 -4.25 1.61 7.02 -0.79 -5.03 117.44 113.32 2rpi n TRP 74 Ca 0.00 0.39 -0.14 0.00 -1.02 0.00 0.00 57.50 56.73 2rpi n TRP 74 Cb 0.22 -2.10 -0.10 0.00 -2.42 0.00 0.00 31.31 26.91 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 -0.71 1.34 0.59 -0.99 3.00 -1.22 -3.68 118.95 117.27 2rpi s ARG 75 Ca 0.02 -1.72 -0.03 0.00 0.00 0.00 0.00 55.73 54.00 2rpi s ARG 75 Cb -0.01 0.08 0.03 0.00 0.00 0.00 0.00 34.95 35.05 2rpi s ARG 75 CO 0.18 -0.38 0.86 0.95 0.00 0.00 0.00 175.30 176.91 2rpi s THR 76 N -3.94 3.01 -0.63 0.02 -4.23 0.35 -4.67 115.64 105.54 2rpi s THR 76 Ca 0.38 -0.37 0.04 0.00 -1.18 0.00 0.00 61.69 60.56 2rpi s THR 76 Cb 0.07 -3.19 0.04 0.00 1.34 0.00 0.00 72.50 70.76 2rpi s THR 76 CO 0.14 -0.16 1.01 0.00 -0.54 0.00 0.00 174.62 175.06 2rpi n ALA 77 N -2.52 0.78 -0.07 3.99 0.00 -1.26 -0.72 120.51 120.72 2rpi n ALA 77 Ca 0.06 0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.32 2rpi n ALA 77 Cb 0.59 -0.83 -0.13 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.55 0.68 0.00 0.00 2.13 -1.26 -5.00 120.64 115.64 2rpi n GLU 78 Ca -0.00 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.11 2rpi n GLU 78 Cb 0.13 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.19 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 1.87 -0.27 3.91 8.31 0.00 0.10 -5.14 105.19 113.98 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 0.91 1.61 -2.85 -1.26 -4.69 119.74 116.95 2rpi s LYS 80 Ca 0.00 -0.34 -0.16 0.00 -1.00 0.00 0.00 55.97 54.47 2rpi s LYS 80 Cb 0.00 -2.97 -0.10 0.00 -2.06 0.00 0.00 37.83 32.70 2rpi s LYS 80 CO 0.00 0.56 -0.35 -2.30 0.10 0.00 0.00 175.35 173.36 2rpi n PRO 81 N 0.16 -0.04 -3.15 1.78 -0.02 -1.26 0.13 135.00 132.59 2rpi n PRO 81 Ca -0.04 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.05 2rpi n PRO 81 Cb 0.51 -1.26 -0.06 0.00 -0.02 0.00 0.00 33.50 32.68 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 -2.08 4.73 0.21 -1.45 1.01 -1.24 -4.23 120.40 117.35 2rpi s VAL 82 Ca 0.48 1.38 -0.21 0.00 0.00 0.00 0.00 61.98 63.63 2rpi s VAL 82 Cb -0.24 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.07 2rpi s VAL 82 CO 0.75 0.47 0.73 -0.54 0.00 0.00 0.00 175.10 176.52 2rpi s LYS 83 N -0.65 4.30 0.00 2.72 -0.14 -1.26 -3.44 119.74 121.28 2rpi s LYS 83 Ca 0.32 0.92 0.00 0.00 -1.36 0.00 0.00 55.97 55.85 2rpi s LYS 83 Cb -0.20 -2.93 0.00 0.00 -1.68 0.00 0.00 37.83 33.02 2rpi s LYS 83 CO 0.20 0.42 0.00 0.09 -0.76 0.00 0.00 175.35 175.30 2rpi n ASN 84 N 0.85 -1.76 0.04 2.83 5.03 -1.26 -4.84 115.26 116.16 2rpi n ASN 84 Ca -0.03 0.00 0.17 0.00 0.87 0.00 0.00 54.58 55.59 2rpi n ASN 84 Cb 0.51 -0.93 0.37 0.00 -1.02 0.00 0.00 39.78 38.71 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 1.54 0.00 0.21 3.52 -0.00 -1.98 1.70 114.38 119.37 2rpi h ARG 85 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 59.98 59.66 2rpi h ARG 85 Cb 0.12 0.00 0.04 0.00 -0.00 0.00 0.00 29.97 30.12 2rpi h ARG 85 CO 0.00 0.00 -1.38 0.22 -0.00 0.00 0.00 179.97 178.81 2rpi h ASP 86 N 0.00 0.85 -0.26 0.08 3.58 -1.89 0.02 116.42 118.80 2rpi h ASP 86 Ca 0.26 -0.89 -0.13 0.00 0.42 0.00 0.00 57.03 56.69 2rpi h ASP 86 Cb 2.20 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 42.98 2rpi h ASP 86 CO -0.00 1.67 -0.34 -0.07 -2.88 0.00 0.00 179.24 177.62 2rpi h LEU 87 N 0.17 0.75 0.66 2.28 3.38 0.20 -2.36 115.31 120.39 2rpi h LEU 87 Ca -0.23 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.21 2rpi h LEU 87 Cb 2.07 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 42.61 2rpi h LEU 87 CO 0.26 1.10 -0.32 -0.50 0.09 0.00 0.00 178.44 179.08 2rpi h TRP 88 N 0.42 -0.82 -0.95 1.13 4.06 -0.96 0.67 115.95 119.50 2rpi h TRP 88 Ca 0.03 -0.02 0.27 0.00 2.06 0.00 0.00 58.89 61.24 2rpi h TRP 88 Cb 0.92 0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 29.31 2rpi h TRP 88 CO 0.08 -0.51 0.68 0.93 -3.56 0.00 0.00 178.44 176.06 2rpi h GLU 89 N -1.08 0.03 0.21 0.49 5.08 -1.07 1.38 114.58 119.62 2rpi h GLU 89 Ca -0.09 -0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.92 2rpi h GLU 89 Cb 0.68 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.94 2rpi h GLU 89 CO 0.15 0.02 -1.63 0.00 -1.00 0.00 0.00 179.01 176.54 2rpi h ALA 90 N 1.53 0.03 -0.05 3.43 0.00 -1.26 -2.60 119.26 120.34 2rpi h ALA 90 Ca 0.46 -1.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.23 2rpi h ALA 90 Cb 1.78 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.89 2rpi h ALA 90 CO -0.02 0.90 -0.49 1.25 0.00 0.00 0.00 179.25 180.89 2rpi h LEU 91 N 0.12 0.13 -0.39 0.00 6.46 0.34 0.88 115.31 122.86 2rpi h LEU 91 Ca -0.30 -0.06 -0.18 0.00 -0.12 0.00 0.00 57.88 57.22 2rpi h LEU 91 Cb 2.13 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 42.02 2rpi h LEU 91 CO 0.22 0.61 -0.55 0.25 -0.62 0.00 0.00 178.44 178.34 2rpi h LEU 92 N 0.10 0.83 -0.58 2.25 5.85 0.16 0.53 115.31 124.45 2rpi h LEU 92 Ca 0.00 -0.44 -0.15 0.00 0.84 0.00 0.00 57.88 58.13 2rpi h LEU 92 Cb 0.91 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 2rpi h LEU 92 CO 0.07 1.21 -0.70 -0.07 -0.34 0.00 0.00 178.44 178.61 2rpi h LEU 93 N 0.57 0.07 0.00 2.25 3.38 -1.24 -2.79 115.31 117.54 2rpi h LEU 93 Ca 0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2rpi h LEU 93 Cb 1.14 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2rpi h LEU 93 CO 0.12 0.75 -0.33 0.00 0.09 0.00 0.00 178.44 179.06 2rpi n ALA 94 N -2.42 2.68 1.29 1.53 0.00 0.29 -3.41 120.51 120.45 2rpi n ALA 94 Ca -0.01 -0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.40 2rpi n ALA 94 Cb 0.68 -1.31 0.34 0.00 0.00 0.00 0.00 19.45 19.17 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 -2.08 1.85 -0.04 0.00 2.81 0.18 -4.24 117.12 115.60 2rpi n MET 95 Ca 0.05 -1.29 -0.13 0.00 -1.81 0.00 0.00 57.70 54.51 2rpi n MET 95 Cb 0.42 -1.47 -0.11 0.00 -0.71 0.00 0.00 33.22 31.35 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 4.43 -0.01 -0.33 3.04 0.00 -1.54 -3.31 119.26 121.54 2rpi h ALA 96 Ca 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2rpi h ALA 96 Cb 0.69 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2rpi h ALA 96 CO 0.00 -0.14 0.03 -1.35 0.00 0.00 0.00 179.25 177.79 2rpi h PRO 97 N -0.74 0.50 -6.77 0.00 0.11 -1.78 -3.44 132.00 119.88 2rpi h PRO 97 Ca -0.00 -0.09 -0.47 0.00 0.11 0.00 0.00 66.00 65.54 2rpi h PRO 97 Cb 0.72 -0.08 0.03 0.00 0.11 0.00 0.00 31.00 31.78 2rpi h PRO 97 CO 0.00 0.51 -0.03 -1.01 -0.21 0.00 0.00 178.00 177.26 2rpi s HIS 98 N -5.03 3.40 -2.46 0.65 3.76 -1.25 -4.50 115.29 109.87 2rpi s HIS 98 Ca -0.07 0.49 0.23 0.00 -0.15 0.00 0.00 55.06 55.55 2rpi s HIS 98 Cb 0.16 -2.25 0.08 0.00 1.11 0.00 0.00 32.58 31.68 2rpi s HIS 98 CO 0.76 -0.26 1.16 0.54 -0.85 0.00 0.00 174.74 176.08 2rpi n ARG 99 N -2.12 1.74 0.00 1.40 3.00 -1.17 -4.91 116.66 114.59 2rpi n ARG 99 Ca -0.00 -1.43 0.00 0.00 -0.01 0.00 0.00 57.85 56.41 2rpi n ARG 99 Cb 0.56 -1.46 0.00 0.00 0.00 0.00 0.00 32.46 31.57 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 0.62 0.00 -3.28 1.55 3.14 -1.20 -4.79 118.33 114.38 2rpi n VAL 100 Ca 0.11 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.20 2rpi n VAL 100 Cb 0.52 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.27 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 3.67 -0.17 1.45 0.52 0.81 -4.87 118.95 120.36 2rpi s ARG 101 Ca 0.00 0.09 -0.04 0.00 -0.52 0.00 0.00 55.73 55.27 2rpi s ARG 101 Cb 0.00 -2.61 -0.02 0.00 0.52 0.00 0.00 34.95 32.84 2rpi s ARG 101 CO 0.00 0.19 -0.04 -0.06 0.02 0.00 0.00 175.30 175.41 2rpi s PHE 102 N -2.10 3.00 -0.50 -0.53 0.08 -1.26 -1.96 117.98 114.71 2rpi s PHE 102 Ca 0.45 -0.42 0.05 0.00 0.12 0.00 0.00 56.93 57.13 2rpi s PHE 102 Cb -0.11 -1.98 0.18 0.00 -0.57 0.00 0.00 43.02 40.54 2rpi s PHE 102 CO 0.29 -0.14 0.41 0.72 -0.10 0.00 0.00 175.22 176.41 2rpi n HIS 103 N 3.78 0.42 -1.55 0.36 8.25 -0.84 -4.97 115.22 120.66 2rpi n HIS 103 Ca -0.17 -3.63 -0.38 0.00 -0.26 0.00 0.00 57.72 53.28 2rpi n HIS 103 Cb 0.52 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.54 2rpi n HIS 103 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2rpi n PHE 104 N 2.40 1.46 -2.91 4.41 3.72 -1.26 -3.19 117.46 122.09 2rpi n PHE 104 Ca 0.27 0.10 -0.44 0.00 -0.05 0.00 0.00 57.45 57.33 2rpi n PHE 104 Cb 0.45 -2.64 0.00 0.00 -0.94 0.00 0.00 39.48 36.35 2rpi n PHE 104 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2rpi n VAL 105 N 7.94 4.44 0.44 -4.37 0.31 -1.22 -4.93 118.33 120.93 2rpi n VAL 105 Ca 0.38 -4.91 0.05 0.00 -0.01 0.00 0.00 64.34 59.85 2rpi n VAL 105 Cb 0.50 -2.43 0.04 0.00 -0.91 0.00 0.00 33.84 31.04 2rpi n VAL 105 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80