#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r1i n ASP 17 N 0.00 0.07 -4.74 1.67 -0.08 -1.26 -5.15 116.55 107.07 2r1i n ASP 17 Ca 0.00 0.22 -0.35 0.00 -1.51 0.00 0.00 54.79 53.15 2r1i n ASP 17 Cb 0.00 0.13 0.07 0.00 2.34 0.00 0.00 41.12 43.66 2r1i n ASP 17 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2r1i s SER 18 N -5.13 4.61 0.53 1.67 1.04 -1.26 -4.98 113.70 110.18 2r1i s SER 18 Ca 0.00 2.41 -0.22 0.00 0.48 0.00 0.00 55.95 58.62 2r1i s SER 18 Cb 0.00 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 2r1i s SER 18 CO 0.00 -1.99 1.27 0.00 0.98 0.00 0.00 173.24 173.50 2r1i s ALA 19 N -1.76 2.82 0.27 5.32 0.00 -1.26 -4.94 121.76 122.21 2r1i s ALA 19 Ca 0.77 1.15 -0.01 0.00 0.00 0.00 0.00 51.96 53.87 2r1i s ALA 19 Cb -0.31 -3.49 0.48 0.00 0.00 0.00 0.00 23.12 19.80 2r1i s ALA 19 CO 0.40 -1.11 1.83 0.77 0.00 0.00 0.00 175.76 177.66 2r1i h SER 20 N 1.55 0.86 -4.65 0.00 0.02 -2.08 -3.44 113.55 105.82 2r1i h SER 20 Ca -0.50 0.04 -0.29 0.00 -0.84 0.00 0.00 61.79 60.20 2r1i h SER 20 Cb 1.28 -0.13 -0.22 0.00 0.14 0.00 0.00 62.40 63.47 2r1i h SER 20 CO 0.58 0.48 -0.74 0.68 -1.14 0.00 0.00 176.83 176.69 2r1i s VAL 21 N -5.99 0.59 0.00 2.27 -7.23 -1.26 -5.13 120.40 103.64 2r1i s VAL 21 Ca -0.12 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 2r1i s VAL 21 Cb 0.21 -0.63 0.00 0.00 0.56 0.00 0.00 36.38 36.52 2r1i s VAL 21 CO 0.80 -0.31 0.00 -0.62 -0.31 0.00 0.00 175.10 174.66 2r1i n GLU 22 N 1.60 0.00 -2.52 4.82 1.02 -1.26 -5.07 120.64 119.23 2r1i n GLU 22 Ca -0.22 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 56.92 2r1i n GLU 22 Cb 0.55 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.97 2r1i n GLU 22 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2r1i n VAL 23 N 0.00 -1.61 -1.59 2.62 3.14 -1.26 -5.03 118.33 114.60 2r1i n VAL 23 Ca 0.00 0.27 -0.36 0.00 -2.96 0.00 0.00 64.34 61.28 2r1i n VAL 23 Cb 0.00 -2.37 0.08 0.00 -1.06 0.00 0.00 33.84 30.50 2r1i n VAL 23 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 2r1i s PRO 24 N -0.06 2.33 0.19 1.45 0.02 -1.26 -4.88 135.00 132.79 2r1i s PRO 24 Ca -0.01 2.00 0.11 0.00 0.02 0.00 0.00 61.00 63.12 2r1i s PRO 24 Cb 0.00 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.65 2r1i s PRO 24 CO 0.03 -1.75 -0.20 -0.98 -0.33 0.00 0.00 177.00 173.77 2r1i s ARG 25 N -3.55 1.67 0.02 5.54 1.70 0.34 -4.88 118.95 119.79 2r1i s ARG 25 Ca 0.81 -1.45 -0.30 0.00 -0.47 0.00 0.00 55.73 54.31 2r1i s ARG 25 Cb -0.36 -1.93 -0.04 0.00 -0.57 0.00 0.00 34.95 32.05 2r1i s ARG 25 CO 0.42 0.41 0.99 0.50 -1.08 0.00 0.00 175.30 176.54 2r1i s ARG 26 N -2.72 4.58 0.21 3.89 3.52 -1.26 -0.26 118.95 126.91 2r1i s ARG 26 Ca 0.22 1.44 -0.30 0.00 -0.13 0.00 0.00 55.73 56.96 2r1i s ARG 26 Cb -0.08 -3.44 -0.08 0.00 -1.56 0.00 0.00 34.95 29.78 2r1i s ARG 26 CO 0.11 -0.01 1.19 0.00 -0.81 0.00 0.00 175.30 175.78 2r1i s ALA 27 N 0.83 3.44 0.47 6.12 0.00 0.18 -4.93 121.76 127.87 2r1i s ALA 27 Ca 0.51 0.96 0.07 0.00 0.00 0.00 0.00 51.96 53.50 2r1i s ALA 27 Cb -0.22 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2r1i s ALA 27 CO 0.28 -0.35 0.36 0.95 0.00 0.00 0.00 175.76 177.00 2r1i s THR 28 N -0.31 2.14 0.48 0.00 -4.23 -1.26 -4.70 115.64 107.76 2r1i s THR 28 Ca 0.51 -1.47 0.24 0.00 -1.18 0.00 0.00 61.69 59.79 2r1i s THR 28 Cb -0.33 -2.61 0.42 0.00 1.34 0.00 0.00 72.50 71.33 2r1i s THR 28 CO 0.38 0.00 1.89 -0.65 -0.54 0.00 0.00 174.62 175.71 2r1i h PRO 29 N 0.97 0.17 -0.03 3.99 0.11 -1.91 0.38 132.00 135.69 2r1i h PRO 29 Ca -0.39 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.72 2r1i h PRO 29 Cb 1.28 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2r1i h PRO 29 CO 0.59 0.11 0.04 0.00 -0.21 0.00 0.00 178.00 178.54 2r1i h ALA 30 N 1.61 1.52 -0.21 -0.75 0.00 -1.96 -2.08 119.26 117.39 2r1i h ALA 30 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2r1i h ALA 30 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2r1i h ALA 30 CO -0.08 -0.06 0.00 -0.25 0.00 0.00 0.00 179.25 178.86 2r1i n ASP 31 N -3.74 1.74 -0.04 0.00 8.00 0.12 -4.59 116.55 118.04 2r1i n ASP 31 Ca -0.02 -1.77 -0.08 0.00 0.71 0.00 0.00 54.79 53.63 2r1i n ASP 31 Cb 0.13 -0.13 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 2r1i n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2r1i h ALA 32 N 3.98 0.02 -0.84 2.24 0.00 -1.45 0.19 119.26 123.40 2r1i h ALA 32 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2r1i h ALA 32 Cb 0.49 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2r1i h ALA 32 CO 0.00 -0.56 0.54 0.00 0.00 0.00 0.00 179.25 179.23 2r1i h ALA 33 N 1.02 1.09 0.04 0.00 0.00 -1.85 -0.51 119.26 119.05 2r1i h ALA 33 Ca 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2r1i h ALA 33 Cb 0.32 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2r1i h ALA 33 CO -0.30 0.39 -0.02 1.15 0.00 0.00 0.00 179.25 180.47 2r1i h THR 34 N 1.07 1.10 -0.41 0.00 2.02 -1.63 -1.25 112.91 113.80 2r1i h THR 34 Ca 0.33 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2r1i h THR 34 Cb -0.02 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2r1i h THR 34 CO -0.10 0.11 0.23 0.58 0.37 0.00 0.00 175.52 176.70 2r1i h VAL 35 N -0.25 1.15 -0.55 3.16 2.07 -0.89 -2.78 116.25 118.17 2r1i h VAL 35 Ca -0.01 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.20 2r1i h VAL 35 Cb 0.23 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 2r1i h VAL 35 CO 0.01 0.15 0.26 0.00 0.02 0.00 0.00 177.57 178.01 2r1i h ALA 36 N 1.08 0.71 0.00 1.67 0.00 -0.96 -0.84 119.26 120.93 2r1i h ALA 36 Ca 0.14 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2r1i h ALA 36 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2r1i h ALA 36 CO -0.02 -0.11 0.00 0.94 0.00 0.00 0.00 179.25 180.06 2r1i n GLN 37 N -4.91 0.02 0.00 0.00 -0.06 -0.48 -1.26 117.38 110.68 2r1i n GLN 37 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.06 2r1i n GLN 37 Cb 0.18 -1.11 0.00 0.00 -4.06 0.00 0.00 30.24 25.25 2r1i n GLN 37 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2r1i n LEU 39 N 0.59 0.00 -0.01 1.69 4.77 -0.32 -0.67 117.00 123.05 2r1i n LEU 39 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 2r1i n LEU 39 Cb 0.01 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 2r1i n LEU 39 CO 0.00 0.00 0.85 -0.74 -1.33 0.00 0.00 177.39 176.17 2r1i h HIS 40 N 0.00 0.14 -0.61 -1.77 2.76 -1.43 -2.13 115.15 112.11 2r1i h HIS 40 Ca 0.00 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 2r1i h HIS 40 Cb 0.00 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 2r1i h HIS 40 CO 0.00 0.20 0.12 -0.44 -1.30 0.00 0.00 177.93 176.51 2r1i h ASP 41 N 0.04 0.94 -0.32 3.26 3.32 -1.14 -0.49 116.42 122.03 2r1i h ASP 41 Ca 0.03 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.84 2r1i h ASP 41 Cb 0.12 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2r1i h ASP 41 CO -0.00 0.95 0.21 -0.26 -1.72 0.00 0.00 179.24 178.42 2r1i h PHE 42 N 0.90 0.41 -0.23 4.55 0.04 -1.78 0.21 116.94 121.03 2r1i h PHE 42 Ca 0.19 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.94 2r1i h PHE 42 Cb 0.40 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 2r1i h PHE 42 CO 0.03 0.27 0.07 -0.91 -0.60 0.00 0.00 178.31 177.16 2r1i h ASN 43 N 0.43 0.34 -0.35 2.17 -0.26 -1.07 -2.38 115.58 114.46 2r1i h ASN 43 Ca 0.12 -0.21 -0.11 0.00 -0.56 0.00 0.00 56.30 55.53 2r1i h ASN 43 Cb -0.04 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.12 2r1i h ASN 43 CO -0.02 0.47 -0.20 0.71 -1.06 0.00 0.00 177.43 177.33 2r1i h THR 44 N 0.20 1.27 -0.19 2.81 1.35 -0.97 0.73 112.91 118.11 2r1i h THR 44 Ca 0.07 -1.32 -0.03 0.00 -0.55 0.00 0.00 66.41 64.59 2r1i h THR 44 Cb 0.25 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 2r1i h THR 44 CO -0.00 0.45 -0.01 -0.08 -0.25 0.00 0.00 175.52 175.63 2r1i h GLU 45 N 0.73 0.27 -0.39 4.72 4.81 -0.74 -2.96 114.58 121.02 2r1i h GLU 45 Ca 0.10 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2r1i h GLU 45 Cb 0.72 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.05 2r1i h GLU 45 CO 0.06 0.31 0.00 1.19 -0.73 0.00 0.00 179.01 179.83 2r1i n PHE 46 N -4.37 0.65 -1.17 0.92 3.72 -0.91 -5.00 117.46 111.29 2r1i n PHE 46 Ca -0.00 -0.56 -0.00 0.00 -0.05 0.00 0.00 57.45 56.83 2r1i n PHE 46 Cb 0.19 -0.08 -0.00 0.00 -0.94 0.00 0.00 39.48 38.64 2r1i n PHE 46 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2r1i n GLY 47 N 0.51 0.40 3.87 1.37 0.00 -0.33 -5.05 105.19 105.96 2r1i n GLY 47 Ca 0.15 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 2r1i n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r1i s ALA 48 N -2.02 3.82 0.66 4.61 0.00 0.10 -5.01 121.76 123.92 2r1i s ALA 48 Ca 0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 51.96 51.28 2r1i s ALA 48 Cb 0.00 -2.11 -0.00 0.00 0.00 0.00 0.00 23.12 21.01 2r1i s ALA 48 CO 0.00 0.60 1.18 -1.25 0.00 0.00 0.00 175.76 176.30 2r1i s PRO 49 N -1.40 2.64 -0.04 0.00 0.04 -1.26 -4.08 135.00 130.90 2r1i s PRO 49 Ca 0.23 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.83 2r1i s PRO 49 Cb -0.14 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.53 2r1i s PRO 49 CO 0.12 -1.43 0.31 -0.08 0.04 0.00 0.00 177.00 175.95 2r1i s THR 50 N -1.91 0.04 0.98 1.26 -1.32 -1.26 -4.96 115.64 108.47 2r1i s THR 50 Ca 0.74 -0.36 -0.12 0.00 -1.21 0.00 0.00 61.69 60.74 2r1i s THR 50 Cb -0.27 -0.57 0.18 0.00 -1.51 0.00 0.00 72.50 70.32 2r1i s THR 50 CO 0.39 -0.20 1.08 -2.84 -2.21 0.00 0.00 174.62 170.85 2r1i s PRO 51 N -0.95 0.58 0.86 7.08 0.02 -1.26 -5.03 135.00 136.30 2r1i s PRO 51 Ca -0.10 0.76 -0.11 0.00 0.02 0.00 0.00 61.00 61.56 2r1i s PRO 51 Cb -0.05 -1.74 0.10 0.00 0.02 0.00 0.00 34.50 32.84 2r1i s PRO 51 CO 0.03 -2.69 1.09 0.20 -0.33 0.00 0.00 177.00 175.31 2r1i s GLY 52 N -3.24 1.63 0.40 0.52 0.00 -1.26 -4.87 107.32 100.50 2r1i s GLY 52 Ca 0.65 0.02 0.07 0.00 0.00 0.00 0.00 44.72 45.46 2r1i s GLY 52 CO 0.58 0.46 2.02 -0.91 0.00 0.00 0.00 173.10 175.26 2r1i h THR 53 N -1.40 1.12 -0.07 0.90 1.35 -1.96 -1.85 112.91 111.00 2r1i h THR 53 Ca -0.48 -0.31 0.01 0.00 -0.55 0.00 0.00 66.41 65.08 2r1i h THR 53 Cb 1.27 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 2r1i h THR 53 CO 0.54 0.14 -0.01 0.44 -0.25 0.00 0.00 175.52 176.37 2r1i h ASP 54 N 0.54 -0.05 -0.28 5.36 3.32 -1.97 0.20 116.42 123.54 2r1i h ASP 54 Ca 0.14 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 2r1i h ASP 54 Cb 0.02 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2r1i h ASP 54 CO -0.02 -0.02 0.18 -0.08 -1.72 0.00 0.00 179.24 177.58 2r1i h GLU 55 N 0.01 0.38 -0.14 3.56 4.81 -1.87 -0.66 114.58 120.67 2r1i h GLU 55 Ca 0.03 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2r1i h GLU 55 Cb 0.05 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2r1i h GLU 55 CO -0.07 0.28 0.07 -0.07 -0.73 0.00 0.00 179.01 178.49 2r1i h LEU 56 N 0.37 0.18 -0.92 1.64 3.38 -1.12 -1.44 115.31 117.40 2r1i h LEU 56 Ca 0.10 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2r1i h LEU 56 Cb -0.00 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2r1i h LEU 56 CO -0.02 0.24 0.48 0.00 0.09 0.00 0.00 178.44 179.23 2r1i h ALA 57 N 0.95 1.17 -0.19 1.53 0.00 -0.50 0.18 119.26 122.41 2r1i h ALA 57 Ca 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2r1i h ALA 57 Cb 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2r1i h ALA 57 CO -0.01 0.66 0.11 0.77 0.00 0.00 0.00 179.25 180.79 2r1i h SER 58 N 1.25 0.22 -0.71 0.00 0.02 -1.01 0.21 113.55 113.53 2r1i h SER 58 Ca 0.31 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.15 2r1i h SER 58 Cb 0.04 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2r1i h SER 58 CO -0.05 0.20 0.19 -0.09 -1.14 0.00 0.00 176.83 175.94 2r1i h ARG 59 N 0.22 1.13 -0.16 3.45 2.43 -0.87 -2.77 114.38 117.82 2r1i h ARG 59 Ca 0.07 -0.26 -0.09 0.00 -0.81 0.00 0.00 59.98 58.89 2r1i h ARG 59 Cb 0.02 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 2r1i h ARG 59 CO -0.01 0.99 -0.29 -0.07 -1.51 0.00 0.00 179.97 179.07 2r1i h LEU 60 N 1.07 0.30 -1.97 3.80 3.38 -0.36 -1.05 115.31 120.48 2r1i h LEU 60 Ca 0.23 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2r1i h LEU 60 Cb 0.35 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2r1i h LEU 60 CO -0.00 0.59 -0.06 0.77 0.09 0.00 0.00 178.44 179.83 2r1i h SER 61 N 0.26 0.00 0.00 -0.43 4.64 -0.66 0.49 113.55 117.85 2r1i h SER 61 Ca 0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2r1i h SER 61 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2r1i h SER 61 CO 0.05 0.06 -0.00 0.45 -0.87 0.00 0.00 176.83 176.52 2r1i h HIS 62 N 0.00 -0.00 -0.67 4.77 3.86 -1.26 -3.37 115.15 118.48 2r1i h HIS 62 Ca -0.00 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2r1i h HIS 62 Cb 0.12 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.55 2r1i h HIS 62 CO 0.00 0.58 0.43 -0.07 0.86 0.00 0.00 177.93 179.73 2r1i h LEU 63 N -1.00 0.72 -0.66 2.43 3.38 -1.01 -2.45 115.31 116.73 2r1i h LEU 63 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2r1i h LEU 63 Cb 0.58 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2r1i h LEU 63 CO 0.00 0.51 0.00 0.18 0.09 0.00 0.00 178.44 179.22 2r1i n LEU 64 N -4.66 0.56 0.06 1.67 4.77 0.14 -1.42 117.00 118.12 2r1i n LEU 64 Ca 0.06 0.65 0.13 0.00 -0.03 0.00 0.00 56.01 56.82 2r1i n LEU 64 Cb 0.05 -0.59 0.33 0.00 -2.33 0.00 0.00 43.42 40.88 2r1i n LEU 64 CO 0.34 -0.55 0.64 0.00 -1.33 0.00 0.00 177.39 176.48 2r1i n ALA 65 N -1.73 2.70 -3.39 -1.18 0.00 -0.92 -4.04 120.51 111.95 2r1i n ALA 65 Ca 0.02 -0.16 -0.17 0.00 0.00 0.00 0.00 53.44 53.13 2r1i n ALA 65 Cb 0.20 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.36 2r1i n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r1i n GLY 66 N 1.37 2.40 0.45 0.00 0.00 -0.51 -5.07 105.19 103.84 2r1i n GLY 66 Ca 0.05 -2.22 0.05 0.00 0.00 0.00 0.00 46.02 43.90 2r1i n GLY 66 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2r1i n GLU 67 N -1.57 1.07 0.06 1.61 -0.58 -1.26 -4.73 120.64 115.23 2r1i n GLU 67 Ca 0.05 -1.34 -0.17 0.00 -0.42 0.00 0.00 57.16 55.28 2r1i n GLU 67 Cb 0.39 -1.21 -0.14 0.00 -0.57 0.00 0.00 31.44 29.91 2r1i n GLU 67 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2r1i h ASP 68 N 1.94 0.38 -3.22 1.62 3.32 -1.90 -3.43 116.42 115.12 2r1i h ASP 68 Ca 0.00 -0.54 -0.62 0.00 0.02 0.00 0.00 57.03 55.90 2r1i h ASP 68 Cb 0.50 -0.12 -0.35 0.00 0.22 0.00 0.00 39.33 39.58 2r1i h ASP 68 CO 0.00 1.45 -0.85 -0.69 -1.72 0.00 0.00 179.24 177.43 2r1i s VAL 69 N -2.61 1.69 -0.04 -1.35 1.01 -1.26 -0.53 120.40 117.30 2r1i s VAL 69 Ca -0.09 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.20 2r1i s VAL 69 Cb 0.07 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 2r1i s VAL 69 CO 0.85 0.48 -0.25 -0.69 0.00 0.00 0.00 175.10 175.49 2r1i s VAL 70 N 1.00 2.11 -0.14 2.92 1.01 0.16 -4.59 120.40 122.87 2r1i s VAL 70 Ca -0.05 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 60.88 2r1i s VAL 70 Cb -0.15 -1.75 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 2r1i s VAL 70 CO -0.03 0.57 -0.18 -0.69 0.00 0.00 0.00 175.10 174.78 2r1i s VAL 71 N -0.34 2.51 -0.10 2.92 1.01 -1.26 -0.66 120.40 124.47 2r1i s VAL 71 Ca 0.02 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 2r1i s VAL 71 Cb -0.12 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2r1i s VAL 71 CO 0.02 0.53 0.01 -0.76 0.00 0.00 0.00 175.10 174.90 2r1i s LEU 72 N 0.67 3.60 -0.07 3.92 1.43 -0.25 -0.65 118.68 127.34 2r1i s LEU 72 Ca -0.09 0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2r1i s LEU 72 Cb -0.16 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 2r1i s LEU 72 CO 0.02 0.34 -0.19 -0.76 0.23 0.00 0.00 176.35 175.99 2r1i s LEU 73 N -0.66 2.43 -0.04 1.79 1.43 0.65 -1.08 118.68 123.20 2r1i s LEU 73 Ca 0.11 -0.36 0.06 0.00 -1.03 0.00 0.00 54.13 52.91 2r1i s LEU 73 Cb -0.12 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 2r1i s LEU 73 CO 0.02 0.27 -0.24 0.00 0.23 0.00 0.00 176.35 176.63 2r1i s ALA 74 N -0.31 2.07 0.00 4.21 0.00 -0.43 -0.51 121.76 126.79 2r1i s ALA 74 Ca 0.02 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.96 2r1i s ALA 74 Cb -0.13 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.38 2r1i s ALA 74 CO 0.02 0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.63 2r1i n GLY 75 N 2.82 2.05 2.67 0.00 0.00 -1.26 -1.20 105.19 110.26 2r1i n GLY 75 Ca -0.17 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 2r1i n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2r1i s GLU 76 N -4.33 0.49 0.55 1.61 2.56 -1.26 -1.68 118.70 116.64 2r1i s GLU 76 Ca 0.00 -0.65 -0.19 0.00 0.00 0.00 0.00 54.97 54.13 2r1i s GLU 76 Cb 0.00 -1.77 -0.05 0.00 2.00 0.00 0.00 34.13 34.31 2r1i s GLU 76 CO 0.00 -0.87 1.12 -1.25 -0.56 0.00 0.00 175.26 173.70 2r1i s PRO 77 N 1.87 3.32 0.29 4.30 0.04 -1.26 -5.08 135.00 138.47 2r1i s PRO 77 Ca 0.06 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 62.37 2r1i s PRO 77 Cb -0.17 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 2r1i s PRO 77 CO -0.22 -0.87 1.57 -1.25 0.04 0.00 0.00 177.00 176.27 2r1i s PRO 78 N -3.38 4.14 0.00 0.56 0.04 -0.68 -4.90 135.00 130.78 2r1i s PRO 78 Ca 0.72 2.54 0.00 0.00 0.04 0.00 0.00 61.00 64.30 2r1i s PRO 78 Cb -0.23 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2r1i s PRO 78 CO 0.28 -0.60 0.24 0.25 0.04 0.00 0.00 177.00 177.21 2r1i n THR 79 N 2.19 0.00 -4.08 1.26 -2.24 -0.34 -4.96 114.28 106.11 2r1i n THR 79 Ca 0.08 -0.33 -0.08 0.00 -2.27 0.00 0.00 64.05 61.45 2r1i n THR 79 Cb 0.38 1.24 -0.10 0.00 -2.10 0.00 0.00 70.33 69.75 2r1i n THR 79 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2r1i s GLY 80 N -0.18 0.56 0.13 3.38 0.00 -1.01 -4.48 107.32 105.73 2r1i s GLY 80 Ca 0.00 -1.20 -0.14 0.00 0.00 0.00 0.00 44.72 43.38 2r1i s GLY 80 CO 0.00 -1.26 0.37 0.48 0.00 0.00 0.00 173.10 172.69 2r1i s LEU 81 N -2.95 0.61 0.02 0.66 0.05 -0.43 -1.32 118.68 115.32 2r1i s LEU 81 Ca 0.11 -0.48 0.06 0.00 0.05 0.00 0.00 54.13 53.88 2r1i s LEU 81 Cb 0.07 1.66 -0.02 0.00 -2.05 0.00 0.00 46.19 45.85 2r1i s LEU 81 CO -0.07 -0.87 -0.18 0.00 -0.55 0.00 0.00 176.35 174.68 2r1i s ALA 82 N -3.85 1.50 -0.15 1.48 0.00 -0.24 -0.59 121.76 119.91 2r1i s ALA 82 Ca 0.06 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.15 2r1i s ALA 82 Cb 0.02 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.84 2r1i s ALA 82 CO -0.09 0.34 -0.21 0.08 0.00 0.00 0.00 175.76 175.87 2r1i s VAL 83 N -0.67 2.06 -0.05 0.00 1.01 -0.20 -1.09 120.40 121.46 2r1i s VAL 83 Ca 0.06 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.12 2r1i s VAL 83 Cb -0.08 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 2r1i s VAL 83 CO 0.01 0.55 -0.19 -0.76 0.00 0.00 0.00 175.10 174.70 2r1i s LEU 84 N 0.94 2.44 0.13 3.92 1.43 0.16 -0.35 118.68 127.34 2r1i s LEU 84 Ca -0.04 -0.33 0.09 0.00 -1.03 0.00 0.00 54.13 52.83 2r1i s LEU 84 Cb -0.15 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 2r1i s LEU 84 CO -0.05 0.31 -0.19 -0.94 0.23 0.00 0.00 176.35 175.72 2r1i s SER 85 N -0.55 3.82 0.03 2.29 1.04 -0.11 -0.67 113.70 119.55 2r1i s SER 85 Ca 0.08 -0.61 0.07 0.00 0.48 0.00 0.00 55.95 55.96 2r1i s SER 85 Cb -0.11 -0.50 -0.02 0.00 0.10 0.00 0.00 66.02 65.49 2r1i s SER 85 CO 0.01 0.16 -0.20 -0.36 0.98 0.00 0.00 173.24 173.84 2r1i s PHE 86 N -1.24 1.72 0.10 5.02 0.40 0.31 -1.07 117.98 123.21 2r1i s PHE 86 Ca 0.18 -0.36 -0.14 0.00 -0.60 0.00 0.00 56.93 56.01 2r1i s PHE 86 Cb -0.10 -1.04 0.02 0.00 0.51 0.00 0.00 43.02 42.42 2r1i s PHE 86 CO 0.10 0.07 0.33 -0.98 0.70 0.00 0.00 175.22 175.44 2r1i s ARG 87 N -1.06 0.96 0.77 0.44 1.70 -0.70 -4.88 118.95 116.18 2r1i s ARG 87 Ca 0.07 -0.70 -0.12 0.00 -0.47 0.00 0.00 55.73 54.51 2r1i s ARG 87 Cb -0.08 0.41 0.05 0.00 -0.57 0.00 0.00 34.95 34.76 2r1i s ARG 87 CO 0.01 -0.35 1.12 -2.14 -1.08 0.00 0.00 175.30 172.87 2r1i s PRO 88 N -3.49 2.30 -0.15 3.89 0.02 -1.26 -0.64 135.00 135.67 2r1i s PRO 88 Ca 0.01 0.38 -0.13 0.00 0.02 0.00 0.00 61.00 61.28 2r1i s PRO 88 Cb 0.02 -1.97 0.04 0.00 0.02 0.00 0.00 34.50 32.61 2r1i s PRO 88 CO -0.09 -1.41 0.39 1.21 -0.33 0.00 0.00 177.00 176.76 2r1i s ASN 89 N -4.31 -0.41 0.59 2.53 2.47 -1.26 -4.76 114.94 109.79 2r1i s ASN 89 Ca 0.60 0.78 0.32 0.00 0.42 0.00 0.00 52.86 54.99 2r1i s ASN 89 Cb -0.12 0.79 1.84 0.00 -1.45 0.00 0.00 41.25 42.31 2r1i s ASN 89 CO 0.52 -0.14 2.23 -0.37 -3.72 0.00 0.00 177.10 175.62 2r1i h VAL 90 N 4.57 0.42 -0.00 -5.21 -1.51 -1.98 -3.05 116.25 109.48 2r1i h VAL 90 Ca -0.27 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 2r1i h VAL 90 Cb 1.18 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 2r1i h VAL 90 CO 0.26 0.03 -0.63 0.79 -1.23 0.00 0.00 177.57 176.79 2r1i n TRP 91 N -3.63 0.00 -4.29 5.19 7.02 -1.26 -4.94 117.44 115.53 2r1i n TRP 91 Ca -0.03 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.25 2r1i n TRP 91 Cb 0.12 -0.10 -0.13 0.00 -2.42 0.00 0.00 31.31 28.78 2r1i n TRP 91 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 2r1i s TYR 92 N -2.84 1.40 0.18 -5.99 2.02 -1.15 -5.03 117.35 105.94 2r1i s TYR 92 Ca 0.13 -0.41 0.13 0.00 -0.37 0.00 0.00 57.07 56.55 2r1i s TYR 92 Cb 0.17 -0.80 0.37 0.00 -0.40 0.00 0.00 41.96 41.31 2r1i s TYR 92 CO 0.71 0.09 1.60 -1.00 -1.57 0.00 0.00 175.55 175.37 2r1i h PRO 93 N 4.48 0.00 -6.30 -1.71 0.13 -1.92 -3.42 132.00 123.26 2r1i h PRO 93 Ca -0.41 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.20 2r1i h PRO 93 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2r1i h PRO 93 CO 0.41 0.58 -0.22 0.20 -0.23 0.00 0.00 178.00 178.74 2r1i s GLY 94 N -4.46 2.04 0.88 1.56 0.00 -1.26 -5.04 107.32 101.05 2r1i s GLY 94 Ca -0.00 -1.75 -0.11 0.00 0.00 0.00 0.00 44.72 42.85 2r1i s GLY 94 CO 0.74 -1.77 1.09 2.56 0.00 0.00 0.00 173.10 175.73 2r1i s PRO 95 N -4.43 1.37 -0.09 2.90 0.04 -1.26 -4.53 135.00 129.00 2r1i s PRO 95 Ca 0.49 0.91 -0.02 0.00 0.04 0.00 0.00 61.00 62.43 2r1i s PRO 95 Cb -0.04 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 2r1i s PRO 95 CO 0.30 -2.19 -0.02 0.08 0.04 0.00 0.00 177.00 175.21 2r1i s VAL 96 N -2.90 4.08 0.09 -0.36 1.01 0.18 -4.05 120.40 118.45 2r1i s VAL 96 Ca 0.63 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.35 2r1i s VAL 96 Cb -0.18 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2r1i s VAL 96 CO 0.57 0.58 -0.10 0.00 0.00 0.00 0.00 175.10 176.15 2r1i s ALA 97 N -0.63 2.96 -0.04 5.51 0.00 -0.84 -1.72 121.76 126.99 2r1i s ALA 97 Ca 0.10 -1.22 0.06 0.00 0.00 0.00 0.00 51.96 50.90 2r1i s ALA 97 Cb -0.12 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 2r1i s ALA 97 CO 0.02 0.64 -0.24 0.42 0.00 0.00 0.00 175.76 176.60 2r1i s ILE 98 N -1.19 1.92 -1.04 0.00 1.01 -0.23 -1.12 121.20 120.55 2r1i s ILE 98 Ca 0.21 -1.01 -0.23 0.00 0.00 0.00 0.00 60.65 59.62 2r1i s ILE 98 Cb -0.11 -1.62 0.05 0.00 0.01 0.00 0.00 42.46 40.78 2r1i s ILE 98 CO 0.13 0.54 1.51 -0.22 0.00 0.00 0.00 174.94 176.90 2r1i s LEU 99 N -0.25 3.51 0.22 2.97 2.96 0.17 -0.93 118.68 127.32 2r1i s LEU 99 Ca -0.00 -1.49 -0.09 0.00 -0.22 0.00 0.00 54.13 52.32 2r1i s LEU 99 Cb -0.12 -2.57 0.17 0.00 0.50 0.00 0.00 46.19 44.17 2r1i s LEU 99 CO 0.02 -1.56 1.88 0.44 -1.32 0.00 0.00 176.35 175.81 2r1i h ASP 100 N 9.69 0.93 -4.85 3.68 5.19 -0.99 -3.43 116.42 126.64 2r1i h ASP 100 Ca 0.22 -0.04 -0.11 0.00 -0.62 0.00 0.00 57.03 56.47 2r1i h ASP 100 Cb 1.00 -0.23 -0.20 0.00 0.18 0.00 0.00 39.33 40.07 2r1i h ASP 100 CO 1.42 0.69 -0.24 -1.61 -3.12 0.00 0.00 179.24 176.38 2r1i s GLU 101 N -6.08 0.67 -0.22 3.56 0.41 -1.00 -4.97 118.70 111.07 2r1i s GLU 101 Ca -0.13 -0.07 -0.03 0.00 -0.41 0.00 0.00 54.97 54.33 2r1i s GLU 101 Cb 0.16 0.30 0.07 0.00 -1.78 0.00 0.00 34.13 32.88 2r1i s GLU 101 CO 0.79 -0.18 0.07 -1.17 -0.49 0.00 0.00 175.26 174.28 2r1i s LEU 102 N -1.13 1.08 -0.38 1.80 2.96 -1.26 -1.04 118.68 120.71 2r1i s LEU 102 Ca -0.12 -0.99 -0.05 0.00 -0.22 0.00 0.00 54.13 52.74 2r1i s LEU 102 Cb -0.04 -0.53 0.08 0.00 0.50 0.00 0.00 46.19 46.20 2r1i s LEU 102 CO 0.04 -0.36 0.17 -0.31 -1.32 0.00 0.00 176.35 174.58 2r1i s TYR 103 N 1.92 3.39 0.05 5.38 1.51 0.24 -5.01 117.35 124.82 2r1i s TYR 103 Ca 0.03 -1.86 -0.01 0.00 -1.01 0.00 0.00 57.07 54.22 2r1i s TYR 103 Cb -0.17 -2.78 -0.03 0.00 -0.11 0.00 0.00 41.96 38.87 2r1i s TYR 103 CO -0.16 -0.86 -0.02 0.14 -1.11 0.00 0.00 175.55 173.54 2r1i s VAL 104 N 1.30 0.20 0.59 0.71 -7.23 -1.26 -1.32 120.40 113.38 2r1i s VAL 104 Ca 0.02 -1.62 -0.16 0.00 -1.81 0.00 0.00 61.98 58.41 2r1i s VAL 104 Cb -0.22 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 2r1i s VAL 104 CO -0.00 -0.90 1.06 -0.13 -0.31 0.00 0.00 175.10 174.82 2r1i s ARG 105 N -3.50 3.35 0.72 4.82 0.52 -1.26 -4.99 118.95 118.61 2r1i s ARG 105 Ca 0.03 1.22 -0.16 0.00 -0.52 0.00 0.00 55.73 56.30 2r1i s ARG 105 Cb 0.05 -2.04 0.02 0.00 0.52 0.00 0.00 34.95 33.50 2r1i s ARG 105 CO -0.08 -0.79 1.11 -0.35 0.02 0.00 0.00 175.30 175.21 2r1i n PRO 106 N -1.95 0.62 0.00 3.54 -0.04 -1.26 -3.64 135.00 132.27 2r1i n PRO 106 Ca 0.09 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2r1i n PRO 106 Cb 0.53 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 2r1i n PRO 106 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2r1i n GLY 107 N 0.93 0.69 0.30 0.55 0.00 -1.26 -4.43 105.19 101.97 2r1i n GLY 107 Ca 0.14 -2.14 0.04 0.00 0.00 0.00 0.00 46.02 44.06 2r1i n GLY 107 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2r1i h ARG 108 N 0.00 0.66 0.06 1.61 3.08 -1.99 -1.45 114.38 116.35 2r1i h ARG 108 Ca 0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2r1i h ARG 108 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.90 2r1i h ARG 108 CO 0.00 0.44 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.22 2r1i h ARG 109 N 0.68 -0.08 -0.47 0.04 2.43 -1.89 -1.60 114.38 113.48 2r1i h ARG 109 Ca 0.41 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.56 2r1i h ARG 109 Cb 0.48 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 2r1i h ARG 109 CO -0.30 0.32 0.20 0.78 -1.51 0.00 0.00 179.97 179.46 2r1i h GLY 110 N -0.49 0.72 1.06 2.80 0.00 -1.60 -1.89 103.07 103.67 2r1i h GLY 110 Ca -0.01 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 2r1i h GLY 110 CO 0.01 0.32 0.23 0.84 0.00 0.00 0.00 176.54 177.94 2r1i h HIS 111 N 0.67 1.21 -0.14 5.60 -0.00 -1.03 0.30 115.15 121.76 2r1i h HIS 111 Ca 0.17 -0.13 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 2r1i h HIS 111 Cb 0.11 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.17 2r1i h HIS 111 CO 0.01 0.96 0.05 -0.09 -0.00 0.00 0.00 177.93 178.85 2r1i h ARG 112 N 1.12 0.21 -0.56 5.26 2.43 -0.85 -0.17 114.38 121.83 2r1i h ARG 112 Ca 0.24 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.39 2r1i h ARG 112 Cb 0.32 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 2r1i h ARG 112 CO -0.01 0.33 0.35 -0.07 -1.51 0.00 0.00 179.97 179.06 2r1i h LEU 113 N 0.06 0.58 -0.66 3.80 3.38 -1.09 -1.41 115.31 119.97 2r1i h LEU 113 Ca 0.05 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2r1i h LEU 113 Cb 0.20 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2r1i h LEU 113 CO -0.00 0.42 0.41 1.23 0.09 0.00 0.00 178.44 180.59 2r1i h GLY 114 N 0.70 0.94 1.01 0.83 0.00 -0.12 0.20 103.07 106.63 2r1i h GLY 114 Ca 0.22 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2r1i h GLY 114 CO -0.07 0.28 0.46 0.23 0.00 0.00 0.00 176.54 177.43 2r1i h SER 115 N 0.82 0.82 -0.50 0.19 0.87 -0.78 -0.23 113.55 114.74 2r1i h SER 115 Ca 0.26 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.73 2r1i h SER 115 Cb -0.01 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 2r1i h SER 115 CO -0.09 0.61 0.07 0.00 -0.53 0.00 0.00 176.83 176.88 2r1i h ALA 116 N 1.25 0.66 -0.62 6.23 0.00 -0.78 -1.56 119.26 124.45 2r1i h ALA 116 Ca 0.26 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2r1i h ALA 116 Cb -0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2r1i h ALA 116 CO -0.05 0.41 0.08 -0.07 0.00 0.00 0.00 179.25 179.61 2r1i h LEU 117 N 0.71 1.00 -0.32 0.00 3.38 -0.41 -1.30 115.31 118.37 2r1i h LEU 117 Ca 0.15 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2r1i h LEU 117 Cb 0.41 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2r1i h LEU 117 CO 0.01 1.02 0.05 0.25 0.09 0.00 0.00 178.44 179.86 2r1i h LEU 118 N 0.95 0.50 -0.33 1.67 5.85 -0.81 -0.19 115.31 122.96 2r1i h LEU 118 Ca 0.19 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.68 2r1i h LEU 118 Cb 0.46 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2r1i h LEU 118 CO 0.02 0.63 0.13 0.00 -0.34 0.00 0.00 178.44 178.88 2r1i h ALA 119 N 0.89 0.39 -0.92 1.25 0.00 -1.18 -0.87 119.26 118.81 2r1i h ALA 119 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2r1i h ALA 119 Cb 0.34 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2r1i h ALA 119 CO 0.01 -0.26 0.59 0.00 0.00 0.00 0.00 179.25 179.59 2r1i h ALA 120 N 1.20 1.17 -0.36 0.00 0.00 -1.11 -1.82 119.26 118.35 2r1i h ALA 120 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2r1i h ALA 120 Cb 0.09 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2r1i h ALA 120 CO -0.13 0.60 0.24 0.77 0.00 0.00 0.00 179.25 180.72 2r1i h SER 121 N 1.26 0.41 -0.64 0.00 0.02 -0.53 -0.80 113.55 113.28 2r1i h SER 121 Ca 0.34 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.29 2r1i h SER 121 Cb -0.11 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 2r1i h SER 121 CO -0.07 0.30 0.42 0.00 -1.14 0.00 0.00 176.83 176.34 2r1i h GLY 123 N 0.84 1.36 1.08 0.00 0.00 -1.00 -1.33 103.07 104.01 2r1i h GLY 123 Ca 0.24 -0.57 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 2r1i h GLY 123 CO -0.07 0.55 -0.17 -2.00 0.00 0.00 0.00 176.54 174.86 2r1i h LEU 124 N 1.29 0.98 -0.37 3.11 6.46 -0.74 -0.62 115.31 125.43 2r1i h LEU 124 Ca 0.33 -0.38 -0.04 0.00 -0.12 0.00 0.00 57.88 57.68 2r1i h LEU 124 Cb -0.04 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.60 2r1i h LEU 124 CO -0.06 1.14 0.09 0.58 -0.62 0.00 0.00 178.44 179.57 2r1i h VAL 125 N 0.82 1.22 -0.74 1.05 2.07 -1.05 -2.62 116.25 117.01 2r1i h VAL 125 Ca 0.12 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 2r1i h VAL 125 Cb 0.74 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2r1i h VAL 125 CO 0.06 0.26 0.31 0.03 0.02 0.00 0.00 177.57 178.25 2r1i h ARG 126 N 0.45 1.08 0.00 1.57 3.08 -1.09 -0.27 114.38 119.19 2r1i h ARG 126 Ca 0.12 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2r1i h ARG 126 Cb 0.30 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 2r1i h ARG 126 CO 0.00 0.87 -0.03 0.66 -1.07 0.00 0.00 179.97 180.40 2r1i h SER 127 N 1.06 0.00 -0.10 7.04 4.64 -0.87 -1.75 113.55 123.56 2r1i h SER 127 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2r1i h SER 127 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2r1i h SER 127 CO -0.02 0.03 0.00 0.54 -0.87 0.00 0.00 176.83 176.51 2r1i n ARG 128 N -4.23 1.60 -1.00 4.77 5.12 -0.89 -4.91 116.66 117.13 2r1i n ARG 128 Ca -0.03 -0.90 -0.00 0.00 -1.93 0.00 0.00 57.85 54.99 2r1i n ARG 128 Cb 0.11 -1.41 -0.00 0.00 -1.16 0.00 0.00 32.46 30.01 2r1i n ARG 128 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2r1i n GLY 129 N 1.10 0.44 3.77 -0.13 0.00 -0.66 -4.49 105.19 105.22 2r1i n GLY 129 Ca 0.17 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 2r1i n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r1i s GLY 130 N -2.59 2.98 0.00 -0.02 0.00 -0.16 -4.04 107.32 103.49 2r1i s GLY 130 Ca 0.00 0.44 0.05 0.00 0.00 0.00 0.00 44.72 45.21 2r1i s GLY 130 CO 0.00 0.99 1.06 0.00 0.00 0.00 0.00 173.10 175.15 2r1i n ALA 131 N 1.63 2.12 -3.69 3.20 0.00 -1.26 -4.03 120.51 118.49 2r1i n ALA 131 Ca -0.04 -1.00 -0.10 0.00 0.00 0.00 0.00 53.44 52.29 2r1i n ALA 131 Cb 0.48 -0.18 -0.11 0.00 0.00 0.00 0.00 19.45 19.64 2r1i n ALA 131 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2r1i s LEU 132 N -0.93 -0.13 -0.13 0.00 2.96 -1.26 -5.12 118.68 114.07 2r1i s LEU 132 Ca 0.09 0.91 0.02 0.00 -0.22 0.00 0.00 54.13 54.93 2r1i s LEU 132 Cb 0.05 1.36 0.02 0.00 0.50 0.00 0.00 46.19 48.12 2r1i s LEU 132 CO 0.07 -0.20 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.52 2r1i s LEU 133 N 1.46 1.80 0.13 -0.68 2.96 -1.26 -1.98 118.68 121.12 2r1i s LEU 133 Ca -0.09 -0.48 0.06 0.00 -0.22 0.00 0.00 54.13 53.39 2r1i s LEU 133 Cb -0.08 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 2r1i s LEU 133 CO -0.13 0.01 0.03 -1.61 -1.32 0.00 0.00 176.35 173.33 2r1i s GLU 134 N 1.08 2.57 -0.02 1.98 2.02 -0.28 -4.97 118.70 121.08 2r1i s GLU 134 Ca -0.04 -0.94 -0.04 0.00 0.02 0.00 0.00 54.97 53.98 2r1i s GLU 134 Cb -0.14 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.59 2r1i s GLU 134 CO -0.04 0.50 0.09 0.42 0.02 0.00 0.00 175.26 176.25 2r1i s ILE 135 N -1.55 0.03 -0.21 -1.63 1.01 -1.26 -0.66 121.20 116.93 2r1i s ILE 135 Ca 0.27 -0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.64 2r1i s ILE 135 Cb -0.11 -0.21 -0.03 0.00 0.01 0.00 0.00 42.46 42.13 2r1i s ILE 135 CO 0.19 -0.12 0.02 0.20 0.00 0.00 0.00 174.94 175.23 2r1i s ASN 136 N -0.37 4.99 -0.05 3.58 0.01 -1.26 -5.06 114.94 116.77 2r1i s ASN 136 Ca -0.04 -0.18 0.03 0.00 -0.71 0.00 0.00 52.86 51.96 2r1i s ASN 136 Cb -0.03 -1.86 0.01 0.00 0.41 0.00 0.00 41.25 39.77 2r1i s ASN 136 CO 0.00 0.05 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.83 2r1i s VAL 137 N 1.10 1.12 0.12 1.60 1.01 -1.26 -5.11 120.40 118.99 2r1i s VAL 137 Ca 0.03 -0.50 -0.32 0.00 0.00 0.00 0.00 61.98 61.19 2r1i s VAL 137 Cb -0.14 -1.00 -0.12 0.00 0.00 0.00 0.00 36.38 35.12 2r1i s VAL 137 CO 0.02 0.34 1.77 0.47 0.00 0.00 0.00 175.10 177.70 2r1i n ASP 138 N 3.58 3.76 0.26 3.32 8.00 -1.26 -4.87 116.55 129.34 2r1i n ASP 138 Ca -0.21 1.02 0.13 0.00 0.71 0.00 0.00 54.79 56.43 2r1i n ASP 138 Cb 0.52 -1.50 0.78 0.00 -0.02 0.00 0.00 41.12 40.91 2r1i n ASP 138 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2r1i h GLY 139 N 7.76 0.00 2.00 0.44 0.00 -2.04 -0.65 103.07 110.57 2r1i h GLY 139 Ca -0.46 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 2r1i h GLY 139 CO 0.94 0.00 -0.23 0.83 0.00 0.00 0.00 176.54 178.07 2r1i h GLU 140 N 0.00 0.00 -5.09 4.80 3.07 -2.07 -3.39 114.58 111.90 2r1i h GLU 140 Ca 0.02 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.18 2r1i h GLU 140 Cb 0.10 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 27.92 2r1i h GLU 140 CO -0.00 0.23 2.26 -3.47 -1.40 0.00 0.00 179.01 176.64 2r1i n ASP 141 N -3.62 4.76 -0.35 1.42 -0.08 -0.25 -4.78 116.55 113.64 2r1i n ASP 141 Ca -0.01 -2.93 0.02 0.00 -1.51 0.00 0.00 54.79 50.36 2r1i n ASP 141 Cb 0.37 -1.68 0.16 0.00 2.34 0.00 0.00 41.12 42.31 2r1i n ASP 141 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2r1i h THR 142 N 4.93 1.09 -0.46 5.18 2.02 -1.83 -1.45 112.91 122.38 2r1i h THR 142 Ca 0.45 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 67.17 2r1i h THR 142 Cb 0.80 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 2r1i h THR 142 CO 1.53 0.21 0.01 0.44 0.37 0.00 0.00 175.52 178.08 2r1i h ASP 143 N 1.13 0.80 -0.23 4.18 3.32 -1.98 -1.04 116.42 122.60 2r1i h ASP 143 Ca 0.41 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 2r1i h ASP 143 Cb 0.15 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2r1i h ASP 143 CO -0.17 0.90 0.03 0.00 -1.72 0.00 0.00 179.24 178.29 2r1i h ALA 144 N 0.92 0.31 -0.68 3.45 0.00 -1.88 -1.87 119.26 119.50 2r1i h ALA 144 Ca 0.13 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.95 2r1i h ALA 144 Cb 0.49 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 2r1i h ALA 144 CO 0.02 -0.01 0.33 0.00 0.00 0.00 0.00 179.25 179.59 2r1i h ARG 145 N 0.19 0.55 -0.37 0.00 3.08 -1.16 -0.63 114.38 116.04 2r1i h ARG 145 Ca 0.07 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 2r1i h ARG 145 Cb 0.34 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2r1i h ARG 145 CO 0.01 0.36 0.07 -0.09 -1.07 0.00 0.00 179.97 179.25 2r1i h ARG 146 N 0.56 0.60 -0.08 0.04 2.43 -1.00 -0.78 114.38 116.15 2r1i h ARG 146 Ca 0.33 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.38 2r1i h ARG 146 Cb 0.35 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 2r1i h ARG 146 CO -0.27 0.66 -0.12 0.35 -1.51 0.00 0.00 179.97 179.07 2r1i h PHE 147 N 0.44 -0.31 -0.25 2.20 3.57 -1.08 -0.41 116.94 121.10 2r1i h PHE 147 Ca 0.11 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.47 2r1i h PHE 147 Cb 0.34 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2r1i h PHE 147 CO 0.02 -0.19 -0.48 1.88 -2.23 0.00 0.00 178.31 177.31 2r1i h TYR 148 N -0.17 0.84 0.00 0.41 0.05 -0.95 -3.04 116.97 114.10 2r1i h TYR 148 Ca 0.07 -0.28 -0.06 0.00 0.05 0.00 0.00 58.73 58.52 2r1i h TYR 148 Cb 0.27 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 2r1i h TYR 148 CO -0.22 1.03 -0.29 0.93 -1.05 0.00 0.00 178.16 178.56 2r1i h GLU 149 N 0.54 0.00 0.00 4.88 5.08 -1.01 -1.38 114.58 122.69 2r1i h GLU 149 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2r1i h GLU 149 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2r1i h GLU 149 CO 0.10 0.29 0.00 0.00 -1.00 0.00 0.00 179.01 178.40 2r1i n ALA 150 N -2.42 1.92 -1.52 3.43 0.00 -0.17 -3.29 120.51 118.45 2r1i n ALA 150 Ca -0.02 0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.49 2r1i n ALA 150 Cb 0.35 -1.41 0.20 0.00 0.00 0.00 0.00 19.45 18.60 2r1i n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2r1i n ARG 151 N -2.11 1.63 -0.47 0.00 1.74 -0.58 -4.98 116.66 111.89 2r1i n ARG 151 Ca 0.04 -3.22 0.00 0.00 -0.77 0.00 0.00 57.85 53.89 2r1i n ARG 151 Cb 0.30 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 2r1i n ARG 151 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2r1i n GLY 152 N -1.14 0.75 3.86 -0.13 0.00 -1.12 -5.02 105.19 102.39 2r1i n GLY 152 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 2r1i n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r1i s PHE 153 N -2.39 3.58 0.10 1.61 0.40 -0.84 -5.02 117.98 115.42 2r1i s PHE 153 Ca 0.00 0.93 0.05 0.00 -0.60 0.00 0.00 56.93 57.31 2r1i s PHE 153 Cb 0.00 -2.27 -0.03 0.00 0.51 0.00 0.00 43.02 41.22 2r1i s PHE 153 CO 0.00 0.45 -0.12 -0.08 0.70 0.00 0.00 175.22 176.17 2r1i s THR 154 N -1.47 1.10 -0.78 0.64 -1.32 -1.26 -4.19 115.64 108.37 2r1i s THR 154 Ca 0.37 -1.56 0.11 0.00 -1.21 0.00 0.00 61.69 59.40 2r1i s THR 154 Cb -0.14 -1.32 0.34 0.00 -1.51 0.00 0.00 72.50 69.87 2r1i s THR 154 CO 0.19 -0.42 1.28 -3.20 -2.21 0.00 0.00 174.62 170.25 2r1i n ASN 155 N 0.76 3.07 -3.88 8.08 4.05 -1.26 -4.97 115.26 121.11 2r1i n ASN 155 Ca -0.17 -2.17 -0.12 0.00 0.45 0.00 0.00 54.58 52.56 2r1i n ASN 155 Cb 0.56 -0.28 -0.14 0.00 1.23 0.00 0.00 39.78 41.16 2r1i n ASN 155 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 2r1i s THR 156 N -1.31 0.01 0.75 -0.44 -4.23 -1.26 -4.15 115.64 105.01 2r1i s THR 156 Ca 0.26 -0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 60.54 2r1i s THR 156 Cb 0.16 -0.06 0.05 0.00 1.34 0.00 0.00 72.50 73.98 2r1i s THR 156 CO 0.14 -0.06 1.12 -1.61 -0.54 0.00 0.00 174.62 173.67 2r1i s GLU 157 N -0.17 2.28 0.19 3.99 8.01 -1.26 -4.91 118.70 126.84 2r1i s GLU 157 Ca -0.02 1.36 -0.15 0.00 0.01 0.00 0.00 54.97 56.17 2r1i s GLU 157 Cb -0.01 -1.89 0.18 0.00 -4.31 0.00 0.00 34.13 28.10 2r1i s GLU 157 CO -0.00 -1.65 1.63 -1.35 0.01 0.00 0.00 175.26 173.90 2r1i h PRO 158 N -0.72 -0.02 -1.05 0.39 0.11 -2.02 -0.57 132.00 128.12 2r1i h PRO 158 Ca -0.45 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.14 2r1i h PRO 158 Cb 1.25 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.09 2r1i h PRO 158 CO 0.51 -0.01 0.67 0.09 -0.21 0.00 0.00 178.00 179.05 2r1i n ASN 159 N -5.40 5.30 -4.69 -2.05 3.02 -1.26 -4.97 115.26 105.22 2r1i n ASN 159 Ca 0.06 -3.52 -0.29 0.00 -0.03 0.00 0.00 54.58 50.79 2r1i n ASN 159 Cb 0.30 -0.89 -0.08 0.00 -0.61 0.00 0.00 39.78 38.51 2r1i n ASN 159 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2r1i s GLY 160 N -1.21 1.85 -0.05 7.41 0.00 -0.22 -5.05 107.32 110.05 2r1i s GLY 160 Ca 0.54 -1.19 -0.04 0.00 0.00 0.00 0.00 44.72 44.03 2r1i s GLY 160 CO 0.05 -1.18 0.23 -0.84 0.00 0.00 0.00 173.10 171.36 2r1i h THR 161 N 2.73 0.00 -2.74 0.90 2.02 -1.93 -3.45 112.91 110.44 2r1i h THR 161 Ca -0.48 -0.59 -0.51 0.00 0.77 0.00 0.00 66.41 65.61 2r1i h THR 161 Cb 1.18 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.45 2r1i h THR 161 CO 0.59 0.00 -0.56 -1.83 0.37 0.00 0.00 175.52 174.09 2r1i s GLU 162 N -2.00 1.77 0.00 6.66 -1.05 -1.26 -5.04 118.70 117.79 2r1i s GLU 162 Ca -0.02 -2.04 0.00 0.00 -0.15 0.00 0.00 54.97 52.76 2r1i s GLU 162 Cb 0.00 -0.73 0.00 0.00 -0.44 0.00 0.00 34.13 32.96 2r1i s GLU 162 CO 0.07 -0.33 0.00 -2.30 0.95 0.00 0.00 175.26 173.65 2r1i n PRO 163 N -0.79 2.66 -3.59 -4.83 -0.02 -1.26 -4.63 135.00 122.54 2r1i n PRO 163 Ca -0.04 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.32 2r1i n PRO 163 Cb 0.66 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 34.08 2r1i n PRO 163 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2r1i s LEU 165 N 0.00 -0.50 -0.21 2.45 1.43 -1.26 -5.00 118.68 115.59 2r1i s LEU 165 Ca 0.00 0.73 -0.14 0.00 -1.03 0.00 0.00 54.13 53.69 2r1i s LEU 165 Cb 0.00 2.07 -0.04 0.00 0.03 0.00 0.00 46.19 48.25 2r1i s LEU 165 CO 0.00 -0.33 0.31 -0.47 0.23 0.00 0.00 176.35 176.09 2r1i s TYR 166 N -0.54 3.36 0.05 0.29 6.14 -1.26 -5.10 117.35 120.29 2r1i s TYR 166 Ca -0.02 0.47 0.07 0.00 0.64 0.00 0.00 57.07 58.24 2r1i s TYR 166 Cb -0.02 -2.43 -0.03 0.00 0.42 0.00 0.00 41.96 39.90 2r1i s TYR 166 CO 0.01 0.03 -0.18 0.71 0.64 0.00 0.00 175.55 176.75 2r1i s TYR 167 N 1.18 2.54 0.07 4.97 1.51 -1.26 -5.15 117.35 121.21 2r1i s TYR 167 Ca 0.15 -0.26 -0.05 0.00 -1.01 0.00 0.00 57.07 55.89 2r1i s TYR 167 Cb -0.14 -1.44 -0.02 0.00 -0.11 0.00 0.00 41.96 40.25 2r1i s TYR 167 CO 0.06 0.27 0.08 1.52 -1.11 0.00 0.00 175.55 176.37 2r1i s TYR 168 N -0.95 0.32 -0.04 2.71 1.13 -1.26 -5.14 117.35 114.12 2r1i s TYR 168 Ca 0.15 -0.79 -0.01 0.00 -1.41 0.00 0.00 57.07 55.01 2r1i s TYR 168 Cb -0.10 -0.22 0.03 0.00 -1.10 0.00 0.00 41.96 40.57 2r1i s TYR 168 CO 0.06 -0.45 0.03 0.50 -2.51 0.00 0.00 175.55 173.18 2r1i s ARG 169 N -3.76 0.14 0.24 -3.49 3.52 -1.26 -5.14 118.95 109.19 2r1i s ARG 169 Ca 0.05 0.23 -0.30 0.00 -0.13 0.00 0.00 55.73 55.58 2r1i s ARG 169 Cb 0.06 -0.54 -0.09 0.00 -1.56 0.00 0.00 34.95 32.82 2r1i s ARG 169 CO -0.10 -0.25 0.98 -1.21 -0.81 0.00 0.00 175.30 173.91 2r1i s GLU 170 N 1.68 4.79 0.00 5.12 2.02 -1.26 -5.38 118.70 125.67 2r1i s GLU 170 Ca -0.01 1.56 0.00 0.00 0.02 0.00 0.00 54.97 56.54 2r1i s GLU 170 Cb -0.13 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.83 2r1i s GLU 170 CO -0.03 0.42 0.42 1.28 0.02 0.00 0.00 175.26 177.36