#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 0.18 -0.18 -1.12 8.00 -1.26 -4.44 116.55 117.74 2r1i n ASP 17 Ca 0.00 0.18 -0.09 0.00 0.71 0.00 0.00 54.79 55.59 2r1i n ASP 17 Cb 0.00 -0.24 0.01 0.00 -0.02 0.00 0.00 41.12 40.87 2r1i n ASP 17 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2r1i h SER 18 N 0.04 0.78 -3.88 -2.24 0.02 -2.14 -3.44 113.55 102.69 2r1i h SER 18 Ca 0.00 -0.24 -0.48 0.00 -0.84 0.00 0.00 61.79 60.22 2r1i h SER 18 Cb 0.48 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2r1i h SER 18 CO 0.00 0.82 0.40 0.00 -1.14 0.00 0.00 176.83 176.91 2r1i s ALA 19 N -5.26 3.23 0.66 3.77 0.00 -1.26 -5.08 121.76 117.82 2r1i s ALA 19 Ca -0.13 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.54 2r1i s ALA 19 Cb 0.12 -3.25 0.10 0.00 0.00 0.00 0.00 23.12 20.08 2r1i s ALA 19 CO 0.80 -0.04 0.91 -1.12 0.00 0.00 0.00 175.76 176.31 2r1i s SER 20 N -1.36 4.67 0.46 0.00 0.01 -1.26 -5.07 113.70 111.15 2r1i s SER 20 Ca 0.50 -0.38 -0.25 0.00 1.31 0.00 0.00 55.95 57.14 2r1i s SER 20 Cb -0.24 -0.14 -0.08 0.00 0.21 0.00 0.00 66.02 65.77 2r1i s SER 20 CO 0.30 -1.62 1.44 1.33 0.41 0.00 0.00 173.24 175.10 2r1i n VAL 21 N -2.63 2.90 -1.93 3.43 0.24 -1.26 -4.91 118.33 114.18 2r1i n VAL 21 Ca 0.14 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.53 2r1i n VAL 21 Cb 0.61 -1.84 -0.01 0.00 -1.47 0.00 0.00 33.84 31.12 2r1i n VAL 21 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2r1i s GLU 22 N -2.50 4.21 -0.17 7.34 8.01 -1.26 -4.99 118.70 129.34 2r1i s GLU 22 Ca 0.62 2.42 -0.06 0.00 0.01 0.00 0.00 54.97 57.96 2r1i s GLU 22 Cb -0.44 -3.04 -0.04 0.00 -4.31 0.00 0.00 34.13 26.30 2r1i s GLU 22 CO 0.57 -0.44 0.03 0.54 0.01 0.00 0.00 175.26 175.96 2r1i s VAL 23 N -0.61 4.44 0.71 2.63 0.11 -1.26 -5.05 120.40 121.37 2r1i s VAL 23 Ca 0.56 -0.16 -0.16 0.00 -2.93 0.00 0.00 61.98 59.29 2r1i s VAL 23 Cb -0.44 -2.98 -0.01 0.00 -1.53 0.00 0.00 36.38 31.41 2r1i s VAL 23 CO 0.52 0.47 0.82 -2.65 -3.33 0.00 0.00 175.10 170.94 2r1i n PRO 24 N 3.57 0.48 -4.36 1.54 -0.02 -1.26 -4.93 135.00 130.01 2r1i n PRO 24 Ca -0.17 0.21 -0.28 0.00 -2.02 0.00 0.00 63.50 61.24 2r1i n PRO 24 Cb 0.52 -2.08 -0.12 0.00 -0.02 0.00 0.00 33.50 31.80 2r1i n PRO 24 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2r1i s ARG 25 N -3.07 1.63 0.01 -0.52 1.70 -0.00 -4.89 118.95 113.80 2r1i s ARG 25 Ca 0.71 -1.32 -0.30 0.00 -0.47 0.00 0.00 55.73 54.35 2r1i s ARG 25 Cb -0.36 -1.99 -0.04 0.00 -0.57 0.00 0.00 34.95 31.99 2r1i s ARG 25 CO 0.52 0.45 1.14 0.50 -1.08 0.00 0.00 175.30 176.83 2r1i s ARG 26 N -2.30 4.44 0.20 3.89 3.52 -1.26 -0.21 118.95 127.23 2r1i s ARG 26 Ca 0.18 1.64 -0.31 0.00 -0.13 0.00 0.00 55.73 57.11 2r1i s ARG 26 Cb -0.10 -3.43 -0.10 0.00 -1.56 0.00 0.00 34.95 29.76 2r1i s ARG 26 CO 0.09 -0.25 1.51 0.00 -0.81 0.00 0.00 175.30 175.84 2r1i s ALA 27 N 1.36 3.71 0.42 6.12 0.00 0.18 -4.92 121.76 128.64 2r1i s ALA 27 Ca 0.56 1.35 0.08 0.00 0.00 0.00 0.00 51.96 53.95 2r1i s ALA 27 Cb -0.26 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 19.28 2r1i s ALA 27 CO 0.27 -0.77 0.56 0.95 0.00 0.00 0.00 175.76 176.77 2r1i s THR 28 N 0.67 2.94 0.54 0.00 -4.23 -1.26 -4.73 115.64 109.56 2r1i s THR 28 Ca 0.66 -1.03 0.28 0.00 -1.18 0.00 0.00 61.69 60.41 2r1i s THR 28 Cb -0.43 -2.97 0.42 0.00 1.34 0.00 0.00 72.50 70.86 2r1i s THR 28 CO 0.36 0.00 1.96 -0.65 -0.54 0.00 0.00 174.62 175.75 2r1i h PRO 29 N 0.66 0.00 0.00 3.99 0.11 -1.91 0.89 132.00 135.74 2r1i h PRO 29 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2r1i h PRO 29 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2r1i h PRO 29 CO 0.46 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.25 2r1i h ALA 30 N 1.65 1.00 -0.19 -0.75 0.00 -1.96 -1.93 119.26 117.09 2r1i h ALA 30 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2r1i h ALA 30 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2r1i h ALA 30 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 2r1i n ASP 31 N -2.52 1.72 -0.23 0.00 8.00 0.31 -4.53 116.55 119.29 2r1i n ASP 31 Ca 0.01 -1.74 0.01 0.00 0.71 0.00 0.00 54.79 53.78 2r1i n ASP 31 Cb 0.21 -0.12 0.13 0.00 -0.02 0.00 0.00 41.12 41.32 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 4.01 0.91 -0.47 2.24 0.00 -1.44 -0.94 119.26 123.58 2r1i h ALA 32 Ca 0.00 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2r1i h ALA 32 Cb 0.49 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2r1i h ALA 32 CO 0.00 -0.14 -0.20 0.00 0.00 0.00 0.00 179.25 178.91 2r1i h ALA 33 N 1.44 0.65 -0.08 0.00 0.00 -1.85 0.11 119.26 119.54 2r1i h ALA 33 Ca 0.34 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2r1i h ALA 33 Cb 0.41 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2r1i h ALA 33 CO -0.31 0.63 -0.00 1.15 0.00 0.00 0.00 179.25 180.72 2r1i h THR 34 N 0.81 0.94 -0.42 0.00 2.02 -1.73 -1.53 112.91 113.00 2r1i h THR 34 Ca 0.11 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 2r1i h THR 34 Cb 0.78 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 2r1i h THR 34 CO 0.06 0.00 0.12 0.58 0.37 0.00 0.00 175.52 176.66 2r1i h VAL 35 N 0.02 1.22 -0.47 3.16 2.07 -1.09 -2.76 116.25 118.40 2r1i h VAL 35 Ca 0.04 -0.76 0.08 0.00 0.82 0.00 0.00 66.70 66.88 2r1i h VAL 35 Cb 0.04 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 2r1i h VAL 35 CO -0.06 0.27 0.09 0.00 0.02 0.00 0.00 177.57 177.89 2r1i h ALA 36 N 0.97 0.52 0.00 1.67 0.00 -0.79 -0.07 119.26 121.56 2r1i h ALA 36 Ca 0.13 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2r1i h ALA 36 Cb 0.29 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2r1i h ALA 36 CO -0.00 -0.31 0.00 0.94 0.00 0.00 0.00 179.25 179.88 2r1i n GLN 37 N -5.11 0.40 0.00 0.00 -0.06 -0.59 -1.31 117.38 110.71 2r1i n GLN 37 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 2r1i n GLN 37 Cb 0.23 -1.28 0.00 0.00 -4.06 0.00 0.00 30.24 25.13 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 0.70 0.00 0.10 1.69 4.77 -0.04 -0.66 117.00 123.56 2r1i n LEU 39 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2r1i n LEU 39 Cb 0.18 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 2r1i n LEU 39 CO 0.00 0.00 0.78 -0.74 -1.33 0.00 0.00 177.39 176.10 2r1i h HIS 40 N 0.00 -0.18 -0.48 -1.77 2.76 -1.44 -2.76 115.15 111.27 2r1i h HIS 40 Ca 0.00 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.08 2r1i h HIS 40 Cb 0.00 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 2r1i h HIS 40 CO 0.00 -0.04 -0.02 -0.44 -1.30 0.00 0.00 177.93 176.13 2r1i h ASP 41 N -0.28 0.86 -0.58 3.26 3.32 -1.15 -0.61 116.42 121.24 2r1i h ASP 41 Ca -0.02 -0.32 0.03 0.00 0.02 0.00 0.00 57.03 56.74 2r1i h ASP 41 Cb 0.22 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 2r1i h ASP 41 CO 0.03 0.97 0.34 -0.26 -1.72 0.00 0.00 179.24 178.61 2r1i h PHE 42 N 0.73 0.63 0.19 4.55 0.04 -1.80 -1.54 116.94 119.75 2r1i h PHE 42 Ca 0.13 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 2r1i h PHE 42 Cb 0.55 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.50 2r1i h PHE 42 CO 0.04 0.35 -0.09 -0.91 -0.60 0.00 0.00 178.31 177.10 2r1i h ASN 43 N 0.67 -0.22 -0.43 2.17 4.21 -1.19 -3.11 115.58 117.68 2r1i h ASN 43 Ca 0.24 -0.22 -0.01 0.00 1.21 0.00 0.00 56.30 57.52 2r1i h ASN 43 Cb 0.06 0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.29 2r1i h ASN 43 CO -0.12 0.11 0.24 0.71 -1.29 0.00 0.00 177.43 177.08 2r1i h THR 44 N -0.57 1.15 0.00 2.81 1.35 -1.07 0.44 112.91 117.02 2r1i h THR 44 Ca -0.03 -0.39 -0.06 0.00 -0.55 0.00 0.00 66.41 65.38 2r1i h THR 44 Cb 0.42 0.55 -0.01 0.00 -1.73 0.00 0.00 68.15 67.38 2r1i h THR 44 CO 0.04 0.17 -0.27 -0.08 -0.25 0.00 0.00 175.52 175.13 2r1i h GLU 45 N 0.64 0.00 -0.37 4.72 4.81 -1.31 -2.95 114.58 120.11 2r1i h GLU 45 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2r1i h GLU 45 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2r1i h GLU 45 CO -0.03 0.27 0.00 1.19 -0.73 0.00 0.00 179.01 179.71 2r1i n PHE 46 N -3.97 0.58 -1.00 0.92 3.72 -0.74 -4.98 117.46 112.00 2r1i n PHE 46 Ca -0.02 -0.54 0.00 0.00 -0.05 0.00 0.00 57.45 56.84 2r1i n PHE 46 Cb 0.34 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 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 0.50 0.39 3.83 1.37 0.00 -0.10 -5.04 105.19 106.13 2r1i n GLY 47 Ca 0.14 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.00 3.60 0.69 4.61 0.00 -0.05 -4.99 121.76 123.62 2r1i s ALA 48 Ca 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 51.96 51.76 2r1i s ALA 48 Cb 0.00 -2.56 0.02 0.00 0.00 0.00 0.00 23.12 20.58 2r1i s ALA 48 CO 0.00 0.43 1.10 -1.25 0.00 0.00 0.00 175.76 176.05 2r1i s PRO 49 N -1.49 2.64 -0.13 0.00 0.04 -1.26 -3.84 135.00 130.96 2r1i s PRO 49 Ca 0.32 1.31 -0.22 0.00 0.04 0.00 0.00 61.00 62.46 2r1i s PRO 49 Cb -0.17 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.49 2r1i s PRO 49 CO 0.18 -1.36 0.55 -0.08 0.04 0.00 0.00 177.00 176.33 2r1i s THR 50 N -2.53 0.01 0.96 1.26 -1.32 -1.26 -4.92 115.64 107.85 2r1i s THR 50 Ca 0.65 -0.09 -0.11 0.00 -1.21 0.00 0.00 61.69 60.93 2r1i s THR 50 Cb -0.19 -0.81 0.17 0.00 -1.51 0.00 0.00 72.50 70.15 2r1i s THR 50 CO 0.46 -0.05 1.09 -2.84 -2.21 0.00 0.00 174.62 171.07 2r1i s PRO 51 N -0.42 0.70 0.85 7.08 0.02 -1.26 -5.02 135.00 136.96 2r1i s PRO 51 Ca -0.06 1.04 -0.11 0.00 0.02 0.00 0.00 61.00 61.90 2r1i s PRO 51 Cb -0.03 -1.73 0.10 0.00 0.02 0.00 0.00 34.50 32.87 2r1i s PRO 51 CO 0.04 -2.69 1.09 0.20 -0.33 0.00 0.00 177.00 175.31 2r1i s GLY 52 N -2.99 1.64 0.43 0.52 0.00 -1.26 -4.86 107.32 100.79 2r1i s GLY 52 Ca 0.65 0.04 0.20 0.00 0.00 0.00 0.00 44.72 45.62 2r1i s GLY 52 CO 0.59 0.48 1.88 -0.91 0.00 0.00 0.00 173.10 175.14 2r1i h THR 53 N -1.41 0.84 -0.14 0.90 1.35 -1.95 -1.88 112.91 110.62 2r1i h THR 53 Ca -0.47 -1.10 -0.00 0.00 -0.55 0.00 0.00 66.41 64.28 2r1i h THR 53 Cb 1.27 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 69.34 2r1i h THR 53 CO 0.54 0.27 0.07 0.44 -0.25 0.00 0.00 175.52 176.59 2r1i h ASP 54 N 0.00 0.18 -0.22 5.36 3.32 -1.98 0.05 116.42 123.14 2r1i h ASP 54 Ca -0.00 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 2r1i h ASP 54 Cb 0.64 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 2r1i h ASP 54 CO 0.04 0.23 0.12 -0.08 -1.72 0.00 0.00 179.24 177.82 2r1i h GLU 55 N 0.11 0.30 -0.19 3.56 4.81 -1.89 -1.88 114.58 119.41 2r1i h GLU 55 Ca 0.05 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2r1i h GLU 55 Cb 0.10 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2r1i h GLU 55 CO -0.01 0.29 0.06 -0.07 -0.73 0.00 0.00 179.01 178.55 2r1i h LEU 56 N 0.24 0.28 -0.69 1.64 3.38 -1.30 -1.03 115.31 117.83 2r1i h LEU 56 Ca 0.08 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.88 2r1i h LEU 56 Cb 0.08 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 2r1i h LEU 56 CO -0.01 0.41 0.43 0.00 0.09 0.00 0.00 178.44 179.36 2r1i h ALA 57 N 0.88 0.91 -0.27 1.53 0.00 -0.95 0.17 119.26 121.53 2r1i h ALA 57 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2r1i h ALA 57 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2r1i h ALA 57 CO -0.00 0.18 0.13 1.03 0.00 0.00 0.00 179.25 180.59 2r1i h SER 58 N 0.82 0.35 -0.53 0.00 0.87 -1.18 -0.52 113.55 113.36 2r1i h SER 58 Ca 0.29 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2r1i h SER 58 Cb 0.06 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 2r1i h SER 58 CO -0.12 0.38 0.30 -0.09 -0.53 0.00 0.00 176.83 176.76 2r1i h ARG 59 N 0.30 0.74 0.00 2.24 2.43 -0.85 -2.75 114.38 116.49 2r1i h ARG 59 Ca 0.09 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 2r1i h ARG 59 Cb 0.12 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2r1i h ARG 59 CO -0.01 0.57 -0.37 -0.07 -1.51 0.00 0.00 179.97 178.58 2r1i h LEU 60 N 0.72 0.00 -1.07 3.80 3.38 -0.46 -0.66 115.31 121.02 2r1i h LEU 60 Ca 0.19 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.25 2r1i h LEU 60 Cb 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 2r1i h LEU 60 CO -0.03 0.37 0.62 0.77 0.09 0.00 0.00 178.44 180.26 2r1i h SER 61 N 0.00 0.94 0.09 -0.43 4.64 -0.79 0.78 113.55 118.78 2r1i h SER 61 Ca -0.00 0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.19 2r1i h SER 61 Cb 0.68 -0.17 0.02 0.00 -0.31 0.00 0.00 62.40 62.61 2r1i h SER 61 CO 0.05 0.56 -0.63 0.45 -0.87 0.00 0.00 176.83 176.39 2r1i h HIS 62 N 1.04 0.46 -0.38 4.77 3.86 -1.27 -3.24 115.15 120.39 2r1i h HIS 62 Ca 0.45 -0.31 -0.05 0.00 -1.16 0.00 0.00 60.37 59.29 2r1i h HIS 62 Cb 0.33 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 2r1i h HIS 62 CO -0.00 1.21 0.04 -0.07 0.86 0.00 0.00 177.93 179.97 2r1i h LEU 63 N -0.43 0.63 -1.58 2.43 3.38 -0.94 -3.05 115.31 115.75 2r1i h LEU 63 Ca -0.10 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2r1i h LEU 63 Cb 1.46 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2r1i h LEU 63 CO 0.12 0.75 0.00 -0.07 0.09 0.00 0.00 178.44 179.33 2r1i h LEU 64 N 0.48 0.00 -0.38 1.67 3.38 -1.00 -1.61 115.31 117.85 2r1i h LEU 64 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2r1i h LEU 64 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2r1i h LEU 64 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 2r1i h ALA 65 N 2.05 1.00 -3.52 1.53 0.00 -1.55 -3.36 119.26 115.41 2r1i h ALA 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2r1i h ALA 65 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2r1i h ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2r1i n GLY 66 N 0.81 3.72 0.00 0.00 0.00 -0.60 -5.08 105.19 104.04 2r1i n GLY 66 Ca 0.03 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.29 -0.27 0.11 1.61 -0.58 -1.26 -4.77 120.64 115.19 2r1i n GLU 67 Ca 0.00 -0.59 -0.23 0.00 -0.42 0.00 0.00 57.16 55.92 2r1i n GLU 67 Cb 0.00 -0.93 -0.15 0.00 -0.57 0.00 0.00 31.44 29.79 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 0.00 0.70 -3.23 1.62 3.32 -1.90 -3.43 116.42 113.50 2r1i h ASP 68 Ca 0.00 -0.93 -0.67 0.00 0.02 0.00 0.00 57.03 55.45 2r1i h ASP 68 Cb 0.16 -0.23 -0.34 0.00 0.22 0.00 0.00 39.33 39.14 2r1i h ASP 68 CO 0.00 1.62 -0.87 -0.69 -1.72 0.00 0.00 179.24 177.58 2r1i s VAL 69 N -2.54 2.03 -0.03 -1.35 1.01 -1.26 -0.91 120.40 117.35 2r1i s VAL 69 Ca -0.11 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 60.97 2r1i s VAL 69 Cb 0.03 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2r1i s VAL 69 CO 0.90 0.55 -0.25 -0.69 0.00 0.00 0.00 175.10 175.60 2r1i s VAL 70 N 0.74 2.00 -0.11 2.92 1.01 0.28 -4.55 120.40 122.70 2r1i s VAL 70 Ca -0.09 -1.07 0.04 0.00 0.00 0.00 0.00 61.98 60.86 2r1i s VAL 70 Cb -0.16 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2r1i s VAL 70 CO -0.00 0.56 -0.23 -0.69 0.00 0.00 0.00 175.10 174.74 2r1i s VAL 71 N -0.43 2.04 -0.09 2.92 1.01 -1.26 -0.57 120.40 124.01 2r1i s VAL 71 Ca 0.05 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 2r1i s VAL 71 Cb -0.11 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2r1i s VAL 71 CO 0.01 0.55 -0.00 -0.76 0.00 0.00 0.00 175.10 174.90 2r1i s LEU 72 N 0.43 3.54 -0.06 3.92 1.43 0.05 -0.65 118.68 127.35 2r1i s LEU 72 Ca -0.17 0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 2r1i s LEU 72 Cb -0.17 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 2r1i s LEU 72 CO 0.07 0.36 -0.22 -0.76 0.23 0.00 0.00 176.35 176.03 2r1i s LEU 73 N -0.78 2.24 -0.10 1.79 1.43 0.71 -1.05 118.68 122.92 2r1i s LEU 73 Ca 0.12 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 2r1i s LEU 73 Cb -0.11 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.69 2r1i s LEU 73 CO 0.02 0.27 -0.23 0.00 0.23 0.00 0.00 176.35 176.64 2r1i s ALA 74 N -0.29 2.12 0.00 4.21 0.00 -0.36 -0.82 121.76 126.61 2r1i s ALA 74 Ca 0.01 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2r1i s ALA 74 Cb -0.13 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.20 2r1i s ALA 74 CO 0.03 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.48 2r1i n GLY 75 N 3.51 2.52 2.60 0.00 0.00 -1.26 -0.95 105.19 111.60 2r1i n GLY 75 Ca -0.19 -1.85 -0.26 0.00 0.00 0.00 0.00 46.02 43.71 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 -3.39 0.17 0.73 1.61 2.56 -1.26 -2.52 118.70 116.60 2r1i s GLU 76 Ca 0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 54.97 54.52 2r1i s GLU 76 Cb 0.00 -1.30 0.04 0.00 2.00 0.00 0.00 34.13 34.87 2r1i s GLU 76 CO 0.00 -0.90 1.12 -1.25 -0.56 0.00 0.00 175.26 173.68 2r1i s PRO 77 N 2.15 2.34 0.21 4.30 0.04 -1.26 -5.07 135.00 137.71 2r1i s PRO 77 Ca 0.07 1.40 -0.31 0.00 0.04 0.00 0.00 61.00 62.19 2r1i s PRO 77 Cb -0.16 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.38 2r1i s PRO 77 CO -0.27 -1.61 1.64 -2.14 0.04 0.00 0.00 177.00 174.66 2r1i s PRO 78 N -4.37 4.16 0.00 0.56 0.02 -1.05 -4.88 135.00 129.44 2r1i s PRO 78 Ca 0.66 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.20 2r1i s PRO 78 Cb -0.21 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.22 2r1i s PRO 78 CO 0.48 -0.67 0.35 0.25 -0.33 0.00 0.00 177.00 177.08 2r1i n THR 79 N 3.59 0.00 -3.88 0.99 -2.24 -0.12 -4.96 114.28 107.65 2r1i n THR 79 Ca 0.13 -0.45 -0.10 0.00 -2.27 0.00 0.00 64.05 61.37 2r1i n THR 79 Cb 0.37 1.09 -0.09 0.00 -2.10 0.00 0.00 70.33 69.60 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 0.09 0.07 3.38 0.00 -1.03 -4.39 107.32 105.25 2r1i s GLY 80 Ca 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 44.72 44.20 2r1i s GLY 80 CO 0.00 -0.57 0.25 0.48 0.00 0.00 0.00 173.10 173.26 2r1i s LEU 81 N -2.16 1.12 0.00 0.66 0.05 -0.58 -1.23 118.68 116.54 2r1i s LEU 81 Ca -0.04 -0.43 0.06 0.00 0.05 0.00 0.00 54.13 53.77 2r1i s LEU 81 Cb -0.01 1.22 -0.02 0.00 -2.05 0.00 0.00 46.19 45.34 2r1i s LEU 81 CO -0.05 -0.69 -0.20 0.00 -0.55 0.00 0.00 176.35 174.87 2r1i s ALA 82 N -3.28 1.65 -0.18 1.48 0.00 -0.22 -0.77 121.76 120.45 2r1i s ALA 82 Ca 0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.06 2r1i s ALA 82 Cb 0.02 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.76 2r1i s ALA 82 CO -0.08 0.39 -0.16 0.08 0.00 0.00 0.00 175.76 175.99 2r1i s VAL 83 N -0.57 2.41 -0.08 0.00 1.01 -0.16 -0.77 120.40 122.25 2r1i s VAL 83 Ca 0.07 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.25 2r1i s VAL 83 Cb -0.08 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 2r1i s VAL 83 CO 0.00 0.51 -0.14 -0.76 0.00 0.00 0.00 175.10 174.71 2r1i s LEU 84 N 1.26 2.70 0.10 3.92 1.43 0.26 -0.14 118.68 128.21 2r1i s LEU 84 Ca 0.04 -0.26 0.09 0.00 -1.03 0.00 0.00 54.13 52.97 2r1i s LEU 84 Cb -0.14 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 2r1i s LEU 84 CO -0.09 0.27 -0.23 -0.94 0.23 0.00 0.00 176.35 175.59 2r1i s SER 85 N -0.29 3.54 0.06 2.29 1.04 -0.28 -0.55 113.70 119.51 2r1i s SER 85 Ca 0.02 -0.61 0.09 0.00 0.48 0.00 0.00 55.95 55.92 2r1i s SER 85 Cb -0.13 -0.39 -0.03 0.00 0.10 0.00 0.00 66.02 65.57 2r1i s SER 85 CO 0.03 0.20 -0.24 -0.36 0.98 0.00 0.00 173.24 173.85 2r1i s PHE 86 N -1.02 2.09 0.08 5.02 0.40 -0.09 -0.84 117.98 123.62 2r1i s PHE 86 Ca 0.15 -0.39 -0.19 0.00 -0.60 0.00 0.00 56.93 55.90 2r1i s PHE 86 Cb -0.10 -1.23 0.04 0.00 0.51 0.00 0.00 43.02 42.24 2r1i s PHE 86 CO 0.06 0.14 0.44 -0.98 0.70 0.00 0.00 175.22 175.58 2r1i s ARG 87 N -1.34 1.01 0.92 0.44 1.70 -0.64 -4.88 118.95 116.16 2r1i s ARG 87 Ca 0.10 -0.46 -0.14 0.00 -0.47 0.00 0.00 55.73 54.76 2r1i s ARG 87 Cb -0.10 0.45 0.16 0.00 -0.57 0.00 0.00 34.95 34.89 2r1i s ARG 87 CO 0.02 -0.37 1.24 -2.14 -1.08 0.00 0.00 175.30 172.97 2r1i s PRO 88 N -2.97 1.01 -0.23 3.89 0.02 -1.26 -0.71 135.00 134.75 2r1i s PRO 88 Ca -0.02 -0.14 -0.20 0.00 0.02 0.00 0.00 61.00 60.66 2r1i s PRO 88 Cb 0.00 -1.86 0.06 0.00 0.02 0.00 0.00 34.50 32.72 2r1i s PRO 88 CO -0.06 -2.21 0.60 1.21 -0.33 0.00 0.00 177.00 176.22 2r1i s ASN 89 N -4.63 -0.65 0.58 2.53 3.84 -1.26 -4.77 114.94 110.57 2r1i s ASN 89 Ca 0.69 1.23 0.38 0.00 0.21 0.00 0.00 52.86 55.37 2r1i s ASN 89 Cb -0.08 1.23 1.91 0.00 -0.55 0.00 0.00 41.25 43.76 2r1i s ASN 89 CO 0.52 -0.21 2.15 -0.37 -2.79 0.00 0.00 177.10 176.40 2r1i h VAL 90 N 4.32 0.00 -0.01 -5.21 -1.51 -1.98 -3.07 116.25 108.79 2r1i h VAL 90 Ca -0.29 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2r1i h VAL 90 Cb 1.17 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 2r1i h VAL 90 CO 0.13 0.00 -0.52 0.79 -1.23 0.00 0.00 177.57 176.74 2r1i n TRP 91 N -2.96 0.00 -4.25 5.19 7.02 -1.26 -4.95 117.44 116.23 2r1i n TRP 91 Ca -0.01 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.28 2r1i n TRP 91 Cb 0.15 -0.04 -0.13 0.00 -2.42 0.00 0.00 31.31 28.88 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 -2.60 1.10 0.25 -5.99 1.51 -1.16 -5.04 117.35 105.43 2r1i s TYR 92 Ca 0.18 -0.39 0.10 0.00 -1.01 0.00 0.00 57.07 55.95 2r1i s TYR 92 Cb 0.18 -0.65 0.30 0.00 -0.11 0.00 0.00 41.96 41.68 2r1i s TYR 92 CO 0.62 0.02 1.58 -1.00 -1.11 0.00 0.00 175.55 175.66 2r1i h PRO 93 N 4.76 0.00 -6.45 -1.71 0.13 -1.92 -3.42 132.00 123.38 2r1i h PRO 93 Ca -0.38 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.23 2r1i h PRO 93 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2r1i h PRO 93 CO 0.43 0.65 -0.14 0.20 -0.23 0.00 0.00 178.00 178.91 2r1i s GLY 94 N -4.49 1.90 0.77 1.56 0.00 -1.26 -5.03 107.32 100.77 2r1i s GLY 94 Ca -0.01 -1.91 -0.11 0.00 0.00 0.00 0.00 44.72 42.69 2r1i s GLY 94 CO 0.77 -1.77 1.09 2.56 0.00 0.00 0.00 173.10 175.74 2r1i s PRO 95 N -4.58 2.30 -0.14 2.90 0.04 -1.26 -4.55 135.00 129.71 2r1i s PRO 95 Ca 0.54 1.13 -0.06 0.00 0.04 0.00 0.00 61.00 62.65 2r1i s PRO 95 Cb -0.05 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2r1i s PRO 95 CO 0.34 -1.60 0.07 0.08 0.04 0.00 0.00 177.00 175.93 2r1i s VAL 96 N -2.92 4.90 0.09 -0.36 1.01 0.11 -4.12 120.40 119.10 2r1i s VAL 96 Ca 0.61 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.63 2r1i s VAL 96 Cb -0.17 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2r1i s VAL 96 CO 0.56 0.54 -0.03 0.00 0.00 0.00 0.00 175.10 176.17 2r1i s ALA 97 N -0.32 3.19 -0.06 5.51 0.00 -0.71 -1.62 121.76 127.74 2r1i s ALA 97 Ca 0.09 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 50.97 2r1i s ALA 97 Cb -0.12 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 2r1i s ALA 97 CO 0.02 0.68 -0.23 0.42 0.00 0.00 0.00 175.76 176.64 2r1i s ILE 98 N -1.26 2.22 -1.12 0.00 1.01 -0.02 -0.72 121.20 121.30 2r1i s ILE 98 Ca 0.24 -1.01 -0.21 0.00 0.00 0.00 0.00 60.65 59.67 2r1i s ILE 98 Cb -0.11 -1.82 0.04 0.00 0.01 0.00 0.00 42.46 40.57 2r1i s ILE 98 CO 0.16 0.57 1.64 -0.22 0.00 0.00 0.00 174.94 177.09 2r1i s LEU 99 N -0.16 3.56 0.21 2.97 2.96 0.23 -1.13 118.68 127.31 2r1i s LEU 99 Ca -0.03 -1.76 -0.10 0.00 -0.22 0.00 0.00 54.13 52.02 2r1i s LEU 99 Cb -0.14 -2.57 0.15 0.00 0.50 0.00 0.00 46.19 44.13 2r1i s LEU 99 CO 0.04 -1.63 1.87 0.44 -1.32 0.00 0.00 176.35 175.75 2r1i h ASP 100 N 9.12 0.88 -4.58 3.68 5.19 -0.83 -3.44 116.42 126.44 2r1i h ASP 100 Ca 0.28 -0.03 -0.12 0.00 -0.62 0.00 0.00 57.03 56.53 2r1i h ASP 100 Cb 0.95 -0.22 -0.22 0.00 0.18 0.00 0.00 39.33 40.03 2r1i h ASP 100 CO 1.40 0.65 -0.29 -1.61 -3.12 0.00 0.00 179.24 176.27 2r1i s GLU 101 N -6.10 0.58 -0.23 3.56 0.41 -1.00 -4.97 118.70 110.94 2r1i s GLU 101 Ca -0.13 0.05 -0.04 0.00 -0.41 0.00 0.00 54.97 54.45 2r1i s GLU 101 Cb 0.15 0.26 0.08 0.00 -1.78 0.00 0.00 34.13 32.84 2r1i s GLU 101 CO 0.78 -0.14 0.09 -1.17 -0.49 0.00 0.00 175.26 174.34 2r1i s LEU 102 N -0.79 0.89 -0.31 1.80 2.96 -1.26 -0.98 118.68 120.99 2r1i s LEU 102 Ca -0.09 -1.02 -0.05 0.00 -0.22 0.00 0.00 54.13 52.75 2r1i s LEU 102 Cb -0.04 -0.45 0.03 0.00 0.50 0.00 0.00 46.19 46.23 2r1i s LEU 102 CO 0.03 -0.38 0.06 -0.31 -1.32 0.00 0.00 176.35 174.43 2r1i s TYR 103 N 1.98 3.21 0.04 5.38 2.02 0.05 -5.01 117.35 125.03 2r1i s TYR 103 Ca 0.04 -1.45 -0.02 0.00 -0.37 0.00 0.00 57.07 55.28 2r1i s TYR 103 Cb -0.16 -2.21 -0.02 0.00 -0.40 0.00 0.00 41.96 39.16 2r1i s TYR 103 CO -0.20 -0.71 0.01 0.14 -1.57 0.00 0.00 175.55 173.21 2r1i s VAL 104 N 1.38 0.16 0.54 0.71 -7.23 -1.26 -1.53 120.40 113.17 2r1i s VAL 104 Ca -0.01 -1.28 -0.20 0.00 -1.81 0.00 0.00 61.98 58.67 2r1i s VAL 104 Cb -0.19 -0.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.82 2r1i s VAL 104 CO 0.01 -0.70 1.20 -0.13 -0.31 0.00 0.00 175.10 175.17 2r1i s ARG 105 N -2.65 3.27 0.63 4.82 1.81 -1.26 -4.97 118.95 120.60 2r1i s ARG 105 Ca -0.05 1.83 -0.18 0.00 -1.72 0.00 0.00 55.73 55.61 2r1i s ARG 105 Cb -0.01 -2.11 -0.02 0.00 -0.45 0.00 0.00 34.95 32.36 2r1i s ARG 105 CO -0.05 -0.97 1.24 -1.25 -0.68 0.00 0.00 175.30 173.59 2r1i s PRO 106 N -3.10 2.71 0.00 3.54 0.04 -1.26 -3.58 135.00 133.35 2r1i s PRO 106 Ca 0.72 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2r1i s PRO 106 Cb -0.30 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2r1i s PRO 106 CO 0.34 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.37 2r1i n GLY 107 N 0.61 1.11 0.29 0.56 0.00 -1.26 -4.59 105.19 101.91 2r1i n GLY 107 Ca 0.14 -2.13 -0.05 0.00 0.00 0.00 0.00 46.02 43.99 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 0.98 0.33 1.61 3.08 -1.99 -0.84 114.38 117.55 2r1i h ARG 108 Ca 0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2r1i h ARG 108 Cb 0.00 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 2r1i h ARG 108 CO 0.00 0.65 -0.26 -0.09 -1.07 0.00 0.00 179.97 179.20 2r1i h ARG 109 N 1.01 -0.57 -0.76 0.04 9.65 -1.89 -1.57 114.38 120.29 2r1i h ARG 109 Ca 0.27 0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.22 2r1i h ARG 109 Cb -0.11 0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.55 2r1i h ARG 109 CO -0.06 -0.38 0.48 0.78 2.80 0.00 0.00 179.97 183.59 2r1i h GLY 110 N -0.59 1.09 1.51 2.80 0.00 -1.58 -2.36 103.07 103.95 2r1i h GLY 110 Ca -0.03 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 2r1i h GLY 110 CO -0.01 0.31 0.05 0.84 0.00 0.00 0.00 176.54 177.73 2r1i h HIS 111 N 0.93 0.63 -0.30 5.60 6.17 -0.76 0.28 115.15 127.69 2r1i h HIS 111 Ca 0.30 -0.06 -0.05 0.00 0.71 0.00 0.00 60.37 61.28 2r1i h HIS 111 Cb 0.02 -0.19 -0.01 0.00 2.52 0.00 0.00 27.41 29.75 2r1i h HIS 111 CO -0.03 0.57 0.00 0.00 0.71 0.00 0.00 177.93 179.18 2r1i h ARG 112 N 0.59 0.54 -0.40 5.26 3.08 -0.83 -1.02 114.38 121.59 2r1i h ARG 112 Ca 0.13 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2r1i h ARG 112 Cb 0.29 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2r1i h ARG 112 CO 0.00 0.67 0.18 -0.07 -1.07 0.00 0.00 179.97 179.68 2r1i h LEU 113 N 0.33 0.54 -0.62 3.04 3.38 -1.02 -1.54 115.31 119.42 2r1i h LEU 113 Ca 0.09 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.01 2r1i h LEU 113 Cb 0.43 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 2r1i h LEU 113 CO 0.01 0.54 0.22 1.23 0.09 0.00 0.00 178.44 180.53 2r1i h GLY 114 N 0.50 0.87 1.01 0.83 0.00 -0.25 0.12 103.07 106.16 2r1i h GLY 114 Ca 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2r1i h GLY 114 CO -0.01 -0.04 0.47 0.23 0.00 0.00 0.00 176.54 177.18 2r1i h SER 115 N 0.39 0.99 -0.55 0.19 0.87 -0.68 -0.83 113.55 113.93 2r1i h SER 115 Ca 0.32 -0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.73 2r1i h SER 115 Cb 0.42 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 2r1i h SER 115 CO -0.33 0.78 0.08 0.00 -0.53 0.00 0.00 176.83 176.83 2r1i h ALA 116 N 1.25 0.73 -0.67 6.23 0.00 -0.63 -2.50 119.26 123.68 2r1i h ALA 116 Ca 0.29 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2r1i h ALA 116 Cb -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2r1i h ALA 116 CO -0.05 0.48 0.17 -0.07 0.00 0.00 0.00 179.25 179.78 2r1i h LEU 117 N 0.81 1.02 -0.33 0.00 3.38 -0.40 -1.52 115.31 118.26 2r1i h LEU 117 Ca 0.17 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2r1i h LEU 117 Cb 0.42 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2r1i h LEU 117 CO 0.01 0.98 0.13 0.25 0.09 0.00 0.00 178.44 179.90 2r1i h LEU 118 N 1.00 0.46 -0.66 1.67 5.85 -1.04 -0.85 115.31 121.73 2r1i h LEU 118 Ca 0.21 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2r1i h LEU 118 Cb 0.36 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2r1i h LEU 118 CO 0.00 0.51 0.37 0.00 -0.34 0.00 0.00 178.44 178.98 2r1i h ALA 119 N 0.97 0.85 -0.64 1.25 0.00 -1.33 -1.36 119.26 119.00 2r1i h ALA 119 Ca 0.11 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2r1i h ALA 119 Cb 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2r1i h ALA 119 CO -0.01 0.36 0.20 0.00 0.00 0.00 0.00 179.25 179.80 2r1i h ALA 120 N 1.18 1.14 -0.53 0.00 0.00 -1.14 -2.46 119.26 117.46 2r1i h ALA 120 Ca 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2r1i h ALA 120 Cb 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2r1i h ALA 120 CO -0.04 0.59 0.29 0.77 0.00 0.00 0.00 179.25 180.87 2r1i h SER 121 N 0.94 0.66 -0.72 0.00 0.02 -0.68 -1.29 113.55 112.48 2r1i h SER 121 Ca 0.21 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2r1i h SER 121 Cb 0.27 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 2r1i h SER 121 CO -0.01 0.56 0.37 0.00 -1.14 0.00 0.00 176.83 176.61 2r1i h GLY 123 N 1.00 0.70 0.97 0.00 0.00 -1.19 -1.44 103.07 103.10 2r1i h GLY 123 Ca 0.25 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2r1i h GLY 123 CO -0.04 0.26 0.13 -2.00 0.00 0.00 0.00 176.54 174.90 2r1i h LEU 124 N 0.66 0.26 -0.39 3.11 5.85 -0.93 -1.07 115.31 122.80 2r1i h LEU 124 Ca 0.18 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.91 2r1i h LEU 124 Cb -0.05 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 2r1i h LEU 124 CO -0.04 0.24 0.06 0.58 -0.34 0.00 0.00 178.44 178.94 2r1i h VAL 125 N 0.26 0.77 -0.71 1.05 2.07 -1.03 -0.99 116.25 117.67 2r1i h VAL 125 Ca 0.08 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.60 2r1i h VAL 125 Cb 0.03 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.32 2r1i h VAL 125 CO -0.01 0.03 0.40 0.03 0.02 0.00 0.00 177.57 178.04 2r1i h ARG 126 N 0.17 0.71 -0.05 1.57 3.08 -1.11 -0.20 114.38 118.56 2r1i h ARG 126 Ca 0.19 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2r1i h ARG 126 Cb 0.24 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 2r1i h ARG 126 CO -0.27 0.47 0.01 0.66 -1.07 0.00 0.00 179.97 179.77 2r1i h SER 127 N 0.73 0.05 -0.01 7.04 4.64 0.06 -0.31 113.55 125.75 2r1i h SER 127 Ca 0.32 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2r1i h SER 127 Cb 0.20 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2r1i h SER 127 CO -0.19 0.06 0.00 0.54 -0.87 0.00 0.00 176.83 176.37 2r1i n ARG 128 N -4.51 1.23 -0.89 4.77 5.12 -0.60 -4.89 116.66 116.88 2r1i n ARG 128 Ca -0.02 -0.33 0.00 0.00 -1.93 0.00 0.00 57.85 55.56 2r1i n ARG 128 Cb 0.10 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 29.93 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 1.04 0.47 3.81 -0.13 0.00 -0.13 -4.49 105.19 105.76 2r1i n GLY 129 Ca 0.21 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.70 2.63 0.00 -0.02 0.00 -0.17 -4.05 107.32 103.01 2r1i s GLY 130 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.90 2r1i s GLY 130 CO 0.00 0.54 0.85 0.00 0.00 0.00 0.00 173.10 174.49 2r1i n ALA 131 N 0.75 2.06 -3.70 3.20 0.00 -1.26 -3.93 120.51 117.63 2r1i n ALA 131 Ca -0.02 -0.85 -0.11 0.00 0.00 0.00 0.00 53.44 52.45 2r1i n ALA 131 Cb 0.51 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.72 0.02 -0.14 0.00 2.96 -1.26 -5.12 118.68 114.43 2r1i s LEU 132 Ca 0.00 0.75 0.02 0.00 -0.22 0.00 0.00 54.13 54.68 2r1i s LEU 132 Cb 0.00 1.09 0.00 0.00 0.50 0.00 0.00 46.19 47.78 2r1i s LEU 132 CO 0.00 -0.19 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.42 2r1i s LEU 133 N 1.53 2.22 0.18 -0.68 2.96 -1.26 -1.74 118.68 121.89 2r1i s LEU 133 Ca -0.08 -0.55 0.09 0.00 -0.22 0.00 0.00 54.13 53.36 2r1i s LEU 133 Cb -0.10 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 2r1i s LEU 133 CO -0.11 0.10 -0.07 -1.61 -1.32 0.00 0.00 176.35 173.34 2r1i s GLU 134 N 0.71 2.15 -0.01 1.98 2.02 0.10 -4.97 118.70 120.68 2r1i s GLU 134 Ca -0.09 -1.24 -0.06 0.00 0.02 0.00 0.00 54.97 53.60 2r1i s GLU 134 Cb -0.16 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 31.87 2r1i s GLU 134 CO 0.01 0.43 0.12 0.42 0.02 0.00 0.00 175.26 176.26 2r1i s ILE 135 N -1.75 0.07 -0.16 -1.63 1.01 -1.26 -0.60 121.20 116.87 2r1i s ILE 135 Ca 0.26 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 2r1i s ILE 135 Cb -0.09 -0.36 -0.02 0.00 0.01 0.00 0.00 42.46 42.01 2r1i s ILE 135 CO 0.16 -0.31 -0.07 0.20 0.00 0.00 0.00 174.94 174.92 2r1i s ASN 136 N -1.05 4.42 -0.04 3.58 -0.87 -1.26 -5.06 114.94 114.66 2r1i s ASN 136 Ca -0.11 -0.25 0.02 0.00 -1.57 0.00 0.00 52.86 50.95 2r1i s ASN 136 Cb -0.06 -1.71 0.01 0.00 -0.02 0.00 0.00 41.25 39.46 2r1i s ASN 136 CO 0.01 0.13 -0.10 -0.69 -2.57 0.00 0.00 177.10 173.88 2r1i s VAL 137 N 0.56 0.90 0.21 1.60 1.01 -1.26 -5.11 120.40 118.31 2r1i s VAL 137 Ca -0.05 -0.38 -0.31 0.00 0.00 0.00 0.00 61.98 61.24 2r1i s VAL 137 Cb -0.15 -0.82 -0.10 0.00 0.00 0.00 0.00 36.38 35.31 2r1i s VAL 137 CO 0.03 0.29 1.53 -0.62 0.00 0.00 0.00 175.10 176.33 2r1i s ASP 138 N 0.45 6.58 0.50 3.32 -1.08 -1.26 -4.88 116.67 120.31 2r1i s ASP 138 Ca -0.08 2.67 0.20 0.00 -0.52 0.00 0.00 52.55 54.82 2r1i s ASP 138 Cb -0.12 -2.61 1.30 0.00 -1.46 0.00 0.00 42.92 40.03 2r1i s ASP 138 CO 0.02 -0.79 2.09 1.23 0.52 0.00 0.00 175.17 178.24 2r1i h GLY 139 N 5.97 0.00 2.00 2.66 0.00 -2.03 -0.79 103.07 110.88 2r1i h GLY 139 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2r1i h GLY 139 CO 0.85 0.00 0.00 -2.09 0.00 0.00 0.00 176.54 175.30 2r1i h GLU 140 N 0.00 0.00 -3.93 4.80 4.81 -2.07 -3.39 114.58 114.81 2r1i h GLU 140 Ca -0.00 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.49 2r1i h GLU 140 Cb 0.19 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.46 2r1i h GLU 140 CO 0.01 0.00 2.35 -3.47 -0.73 0.00 0.00 179.01 177.18 2r1i n ASP 141 N -2.56 4.68 0.24 1.04 -0.08 -0.30 -4.81 116.55 114.76 2r1i n ASP 141 Ca 0.02 -3.00 0.09 0.00 -1.51 0.00 0.00 54.79 50.40 2r1i n ASP 141 Cb 0.31 -1.56 0.59 0.00 2.34 0.00 0.00 41.12 42.80 2r1i n ASP 141 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2r1i h THR 142 N 4.02 0.77 -0.24 5.18 1.35 -1.83 -1.59 112.91 120.58 2r1i h THR 142 Ca 0.45 -0.76 -0.04 0.00 -0.55 0.00 0.00 66.41 65.51 2r1i h THR 142 Cb 0.67 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 2r1i h THR 142 CO 1.67 0.19 -0.02 0.44 -0.25 0.00 0.00 175.52 177.55 2r1i h ASP 143 N 0.00 0.42 -0.41 5.36 3.32 -1.97 -0.61 116.42 122.53 2r1i h ASP 143 Ca -0.00 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 56.65 2r1i h ASP 143 Cb 0.45 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2r1i h ASP 143 CO 0.02 0.65 -0.01 0.00 -1.72 0.00 0.00 179.24 178.19 2r1i h ALA 144 N 0.79 0.56 -0.48 3.45 0.00 -1.83 -1.90 119.26 119.84 2r1i h ALA 144 Ca 0.06 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2r1i h ALA 144 Cb 0.45 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2r1i h ALA 144 CO 0.02 0.35 0.30 0.00 0.00 0.00 0.00 179.25 179.92 2r1i h ARG 145 N 0.57 0.59 -0.63 0.00 3.08 -1.26 -0.46 114.38 116.27 2r1i h ARG 145 Ca 0.12 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 2r1i h ARG 145 Cb 0.50 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 2r1i h ARG 145 CO 0.02 0.39 0.22 -0.09 -1.07 0.00 0.00 179.97 179.44 2r1i h ARG 146 N 0.61 0.94 -0.10 0.04 2.43 -0.98 -1.32 114.38 115.99 2r1i h ARG 146 Ca 0.18 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2r1i h ARG 146 Cb -0.03 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 2r1i h ARG 146 CO -0.06 0.79 0.02 0.35 -1.51 0.00 0.00 179.97 179.56 2r1i h PHE 147 N 0.91 0.18 -0.24 2.20 3.04 -0.80 -2.14 116.94 120.08 2r1i h PHE 147 Ca 0.21 -0.02 -0.18 0.00 3.98 0.00 0.00 57.97 61.96 2r1i h PHE 147 Cb 0.23 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.69 2r1i h PHE 147 CO 0.02 0.36 -0.56 1.88 -2.02 0.00 0.00 178.31 177.98 2r1i h TYR 148 N -0.06 0.93 -0.05 0.41 0.05 -1.00 -3.09 116.97 114.17 2r1i h TYR 148 Ca 0.03 -0.34 -0.06 0.00 0.05 0.00 0.00 58.73 58.42 2r1i h TYR 148 Cb 0.27 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 2r1i h TYR 148 CO 0.01 1.13 -0.23 0.93 -1.05 0.00 0.00 178.16 178.95 2r1i h GLU 149 N 0.56 0.08 0.00 4.88 5.08 -1.23 -0.57 114.58 123.39 2r1i h GLU 149 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2r1i h GLU 149 Cb 1.15 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2r1i h GLU 149 CO 0.12 0.32 0.00 0.00 -1.00 0.00 0.00 179.01 178.45 2r1i n ALA 150 N -2.49 1.96 -2.16 3.43 0.00 -0.81 -3.60 120.51 116.84 2r1i n ALA 150 Ca -0.02 -0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 2r1i n ALA 150 Cb 0.31 -1.36 0.05 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.64 2.90 -0.46 0.00 1.74 -0.25 -4.99 116.66 113.95 2r1i n ARG 151 Ca 0.05 -3.87 0.00 0.00 -0.77 0.00 0.00 57.85 53.26 2r1i n ARG 151 Cb 0.26 -2.00 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 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 -0.69 0.73 3.86 -0.13 0.00 -1.15 -4.99 105.19 102.82 2r1i n GLY 152 Ca 0.32 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.82 3.60 0.12 1.61 0.40 -1.01 -5.04 117.98 114.82 2r1i s PHE 153 Ca 0.00 0.90 0.05 0.00 -0.60 0.00 0.00 56.93 57.28 2r1i s PHE 153 Cb 0.00 -2.25 -0.04 0.00 0.51 0.00 0.00 43.02 41.25 2r1i s PHE 153 CO 0.00 0.49 -0.11 -0.08 0.70 0.00 0.00 175.22 176.21 2r1i s THR 154 N -1.42 1.12 -1.29 0.64 -1.32 -1.26 -4.23 115.64 107.88 2r1i s THR 154 Ca 0.35 -1.75 0.13 0.00 -1.21 0.00 0.00 61.69 59.20 2r1i s THR 154 Cb -0.14 -1.51 0.25 0.00 -1.51 0.00 0.00 72.50 69.59 2r1i s THR 154 CO 0.18 -0.55 1.14 -3.20 -2.21 0.00 0.00 174.62 169.98 2r1i n ASN 155 N 0.40 2.67 -3.86 8.08 2.85 -1.26 -4.95 115.26 119.19 2r1i n ASN 155 Ca -0.15 -1.81 -0.12 0.00 -0.11 0.00 0.00 54.58 52.39 2r1i n ASN 155 Cb 0.58 -0.16 -0.14 0.00 1.24 0.00 0.00 39.78 41.30 2r1i n ASN 155 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2r1i s THR 156 N -1.03 -0.00 0.87 -0.44 -4.23 -1.26 -4.20 115.64 105.34 2r1i s THR 156 Ca 0.22 0.01 -0.11 0.00 -1.18 0.00 0.00 61.69 60.63 2r1i s THR 156 Cb 0.13 -0.02 0.11 0.00 1.34 0.00 0.00 72.50 74.06 2r1i s THR 156 CO 0.17 0.00 1.09 -1.61 -0.54 0.00 0.00 174.62 173.74 2r1i s GLU 157 N 0.06 1.49 0.13 3.99 2.02 -1.26 -4.91 118.70 120.21 2r1i s GLU 157 Ca -0.00 0.85 -0.17 0.00 0.02 0.00 0.00 54.97 55.67 2r1i s GLU 157 Cb -0.01 -1.83 -0.03 0.00 0.10 0.00 0.00 34.13 32.36 2r1i s GLU 157 CO -0.00 -2.09 1.70 -1.35 0.02 0.00 0.00 175.26 173.54 2r1i h PRO 158 N -1.44 0.48 -0.27 0.39 0.11 -2.01 -1.87 132.00 127.39 2r1i h PRO 158 Ca -0.48 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.56 2r1i h PRO 158 Cb 1.27 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2r1i h PRO 158 CO 0.55 0.44 0.00 0.09 -0.21 0.00 0.00 178.00 178.87 2r1i n ASN 159 N -4.75 1.49 -4.84 -2.05 3.02 -1.26 -4.87 115.26 102.00 2r1i n ASN 159 Ca -0.01 -1.96 -0.32 0.00 -0.03 0.00 0.00 54.58 52.26 2r1i n ASN 159 Cb 0.11 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.04 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 -1.07 2.26 -0.01 7.41 0.00 -0.70 -5.02 107.32 110.18 2r1i s GLY 160 Ca 0.21 0.14 0.15 0.00 0.00 0.00 0.00 44.72 45.21 2r1i s GLY 160 CO 0.14 0.38 0.45 -0.37 0.00 0.00 0.00 173.10 173.70 2r1i n THR 161 N -0.75 0.00 -3.90 0.90 5.66 -1.26 -4.75 114.28 110.17 2r1i n THR 161 Ca 0.05 -0.26 -0.09 0.00 -3.05 0.00 0.00 64.05 60.70 2r1i n THR 161 Cb 0.54 0.51 -0.04 0.00 -1.55 0.00 0.00 70.33 69.79 2r1i n THR 161 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2r1i s GLU 162 N -2.76 1.58 0.00 1.09 -1.05 -1.26 -5.14 118.70 111.15 2r1i s GLU 162 Ca -0.01 -1.09 0.00 0.00 -0.15 0.00 0.00 54.97 53.72 2r1i s GLU 162 Cb 0.10 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.31 2r1i s GLU 162 CO 0.61 -0.68 0.00 -2.30 0.95 0.00 0.00 175.26 173.84 2r1i n PRO 163 N -0.39 2.76 -3.58 -4.83 -0.02 -1.26 -4.70 135.00 122.99 2r1i n PRO 163 Ca -0.04 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.30 2r1i n PRO 163 Cb 0.61 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 34.03 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 -0.60 -0.25 2.45 1.43 -1.26 -5.00 118.68 115.45 2r1i s LEU 165 Ca 0.00 0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 53.86 2r1i s LEU 165 Cb 0.00 2.30 -0.05 0.00 0.03 0.00 0.00 46.19 48.47 2r1i s LEU 165 CO 0.00 -0.40 0.17 -0.47 0.23 0.00 0.00 176.35 175.88 2r1i s TYR 166 N -0.57 3.29 0.07 0.29 5.04 -1.26 -5.09 117.35 119.12 2r1i s TYR 166 Ca -0.04 0.20 0.08 0.00 -2.44 0.00 0.00 57.07 54.87 2r1i s TYR 166 Cb -0.02 -2.31 -0.03 0.00 0.35 0.00 0.00 41.96 39.95 2r1i s TYR 166 CO 0.04 -0.00 -0.20 0.71 -1.34 0.00 0.00 175.55 174.75 2r1i s TYR 167 N 1.28 2.49 0.14 4.97 1.51 -1.26 -5.15 117.35 121.33 2r1i s TYR 167 Ca 0.08 -0.29 -0.07 0.00 -1.01 0.00 0.00 57.07 55.77 2r1i s TYR 167 Cb -0.14 -1.40 -0.01 0.00 -0.11 0.00 0.00 41.96 40.29 2r1i s TYR 167 CO 0.06 0.27 0.21 1.52 -1.11 0.00 0.00 175.55 176.51 2r1i s TYR 168 N -0.97 0.44 -0.04 2.71 1.13 -1.26 -5.14 117.35 114.21 2r1i s TYR 168 Ca 0.15 -0.82 -0.02 0.00 -1.41 0.00 0.00 57.07 54.97 2r1i s TYR 168 Cb -0.10 -0.15 0.03 0.00 -1.10 0.00 0.00 41.96 40.64 2r1i s TYR 168 CO 0.06 -0.63 0.08 0.50 -2.51 0.00 0.00 175.55 173.04 2r1i s ARG 169 N -3.96 -0.02 0.00 -3.49 3.52 -1.26 -5.13 118.95 108.61 2r1i s ARG 169 Ca 0.15 0.34 -0.28 0.00 -0.13 0.00 0.00 55.73 55.81 2r1i s ARG 169 Cb 0.05 -0.33 -0.04 0.00 -1.56 0.00 0.00 34.95 33.06 2r1i s ARG 169 CO -0.02 -0.25 0.89 -1.21 -0.81 0.00 0.00 175.30 173.90 2r1i s GLU 170 N 1.66 4.54 0.00 5.12 2.02 -1.26 -5.38 118.70 125.40 2r1i s GLU 170 Ca -0.02 1.26 0.08 0.00 0.02 0.00 0.00 54.97 56.31 2r1i s GLU 170 Cb -0.12 -3.44 0.06 0.00 0.10 0.00 0.00 34.13 30.73 2r1i s GLU 170 CO -0.04 0.04 0.74 1.28 0.02 0.00 0.00 175.26 177.30