#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2r n HIS 2 N 0.00 0.71 -1.34 2.89 8.25 -1.26 -4.87 115.22 119.60 2k2r n HIS 2 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 2k2r n HIS 2 Cb 0.00 -1.80 0.08 0.00 1.12 0.00 0.00 29.99 29.40 2k2r n HIS 2 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2k2r s GLU 3 N 8.16 2.38 -0.57 -0.41 2.02 -1.26 -4.96 118.70 124.07 2k2r s GLU 3 Ca 1.09 1.17 -0.22 0.00 0.02 0.00 0.00 54.97 57.03 2k2r s GLU 3 Cb -0.44 -1.91 0.06 0.00 0.10 0.00 0.00 34.13 31.93 2k2r s GLU 3 CO 0.29 -1.55 0.83 0.50 0.02 0.00 0.00 175.26 175.35 2k2r s ARG 4 N -4.84 3.19 0.00 1.61 3.00 -1.26 -4.68 118.95 115.97 2k2r s ARG 4 Ca 0.61 -0.68 0.00 0.00 -1.00 0.00 0.00 55.73 54.67 2k2r s ARG 4 Cb -0.17 -4.12 0.00 0.00 0.00 0.00 0.00 34.95 30.65 2k2r s ARG 4 CO 0.54 -1.48 0.00 -3.47 0.00 0.00 0.00 175.30 170.89 2k2r n ASP 5 N 7.03 0.12 0.21 -2.12 -0.08 -1.26 -4.97 116.55 115.47 2k2r n ASP 5 Ca -0.03 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.12 2k2r n ASP 5 Cb 0.46 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.85 2k2r n ASP 5 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k2r h ALA 6 N 1.05 -0.55 -0.90 -1.67 0.00 -2.02 -3.16 119.26 112.01 2k2r h ALA 6 Ca 0.00 -0.19 0.23 0.00 0.00 0.00 0.00 54.91 54.95 2k2r h ALA 6 Cb 0.00 0.21 -0.16 0.00 0.00 0.00 0.00 17.79 17.84 2k2r h ALA 6 CO 0.00 -0.62 0.05 0.74 0.00 0.00 0.00 179.25 179.42 2k2r h PHE 7 N -0.93 0.01 0.00 0.00 -1.00 -1.93 -2.04 116.94 111.05 2k2r h PHE 7 Ca -0.06 0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.79 2k2r h PHE 7 Cb 0.56 0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.26 2k2r h PHE 7 CO 0.02 -0.33 0.00 -3.47 -1.61 0.00 0.00 178.31 172.92 2k2r n ASP 8 N -5.40 0.00 -0.30 2.17 2.03 -1.19 0.20 116.55 114.05 2k2r n ASP 8 Ca 0.20 0.87 0.08 0.00 0.52 0.00 0.00 54.79 56.45 2k2r n ASP 8 Cb 0.65 -0.37 0.29 0.00 -0.72 0.00 0.00 41.12 40.97 2k2r n ASP 8 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2k2r h THR 9 N 0.00 0.94 0.52 5.18 2.02 -1.57 0.57 112.91 120.57 2k2r h THR 9 Ca 0.00 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 2k2r h THR 9 Cb 0.00 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.39 2k2r h THR 9 CO 0.00 0.16 -0.25 -0.07 0.37 0.00 0.00 175.52 175.73 2k2r h LEU 10 N 0.89 -0.59 -1.54 2.58 3.38 -0.57 -0.18 115.31 119.28 2k2r h LEU 10 Ca 0.44 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.31 2k2r h LEU 10 Cb 0.47 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2k2r h LEU 10 CO -0.20 -0.21 -0.23 -0.26 0.09 0.00 0.00 178.44 177.63 2k2r h PHE 11 N -1.06 0.00 -0.01 1.13 -1.00 0.25 1.41 116.94 117.66 2k2r h PHE 11 Ca -0.07 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.69 2k2r h PHE 11 Cb 0.61 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.17 2k2r h PHE 11 CO 0.01 0.23 -0.08 0.22 -1.61 0.00 0.00 178.31 177.08 2k2r h ASP 12 N 0.00 0.09 -0.11 2.17 1.82 0.18 -3.37 116.42 117.19 2k2r h ASP 12 Ca -0.00 -0.71 -0.05 0.00 -0.39 0.00 0.00 57.03 55.88 2k2r h ASP 12 Cb 0.50 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.46 2k2r h ASP 12 CO 0.03 0.79 -0.23 1.57 -1.61 0.00 0.00 179.24 179.79 2k2r n HIS 13 N -4.67 0.36 -2.69 0.28 -0.00 -0.09 -4.85 115.22 103.58 2k2r n HIS 13 Ca -0.09 -1.35 -0.05 0.00 0.46 0.00 0.00 57.72 56.69 2k2r n HIS 13 Cb 0.39 -0.29 0.08 0.00 -0.12 0.00 0.00 29.99 30.05 2k2r n HIS 13 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2k2r n ALA 14 N -1.14 -2.77 0.46 1.57 0.00 0.48 -4.94 120.51 114.18 2k2r n ALA 14 Ca 0.22 -0.65 0.13 0.00 0.00 0.00 0.00 53.44 53.14 2k2r n ALA 14 Cb 0.78 -2.64 0.45 0.00 0.00 0.00 0.00 19.45 18.05 2k2r n ALA 14 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2k2r h PRO 15 N 3.02 0.00 0.11 0.00 0.14 -1.75 -3.22 132.00 130.29 2k2r h PRO 15 Ca -0.23 0.00 -0.29 0.00 0.14 0.00 0.00 66.00 65.63 2k2r h PRO 15 Cb 1.17 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.30 2k2r h PRO 15 CO -0.02 0.00 -1.48 0.22 0.14 0.00 0.00 178.00 176.86 2k2r h ASP 16 N 0.00 0.35 -0.22 1.44 3.58 -1.93 -3.36 116.42 116.28 2k2r h ASP 16 Ca 0.00 -0.84 0.01 0.00 0.42 0.00 0.00 57.03 56.63 2k2r h ASP 16 Cb 0.58 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 2k2r h ASP 16 CO 0.00 1.64 0.11 0.11 -2.88 0.00 0.00 179.24 178.22 2k2r h LYS 17 N -0.31 0.23 -1.16 0.28 1.57 -1.94 -1.33 116.57 113.91 2k2r h LYS 17 Ca -0.33 -0.01 0.34 0.00 -1.87 0.00 0.00 60.65 58.78 2k2r h LYS 17 Cb 1.76 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 33.91 2k2r h LYS 17 CO 0.04 0.15 0.76 -0.07 -0.57 0.00 0.00 179.45 179.76 2k2r h LEU 18 N 0.24 0.33 0.48 2.94 3.38 -1.72 0.79 115.31 121.74 2k2r h LEU 18 Ca 0.09 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2k2r h LEU 18 Cb 0.02 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2k2r h LEU 18 CO -0.06 -0.02 -0.23 -1.13 0.09 0.00 0.00 178.44 177.09 2k2r h ASN 19 N 0.24 -0.55 0.04 -0.43 -0.00 -1.39 -2.57 115.58 110.92 2k2r h ASN 19 Ca 0.67 0.02 -0.00 0.00 -0.00 0.00 0.00 56.30 56.99 2k2r h ASN 19 Cb 1.98 0.14 -0.00 0.00 -0.00 0.00 0.00 38.32 40.44 2k2r h ASN 19 CO -0.31 -0.13 -0.02 0.58 -0.00 0.00 0.00 177.43 177.55 2k2r h VAL 20 N -1.16 0.66 -0.38 2.57 2.07 -0.93 -1.33 116.25 117.75 2k2r h VAL 20 Ca -0.07 -0.08 -0.13 0.00 0.82 0.00 0.00 66.70 67.25 2k2r h VAL 20 Cb 0.49 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2k2r h VAL 20 CO 0.11 0.02 -0.29 0.58 0.02 0.00 0.00 177.57 178.01 2k2r h VAL 21 N 0.00 1.28 -0.63 2.57 2.07 0.58 -1.95 116.25 120.17 2k2r h VAL 21 Ca -0.00 -1.44 -0.05 0.00 0.82 0.00 0.00 66.70 66.03 2k2r h VAL 21 Cb 0.04 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2k2r h VAL 21 CO 0.00 0.48 0.19 0.50 0.02 0.00 0.00 177.57 178.76 2k2r h LYS 22 N 0.70 0.95 -0.10 1.57 3.64 -0.83 -1.31 116.57 121.19 2k2r h LYS 22 Ca 0.08 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2k2r h LYS 22 Cb 0.83 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2k2r h LYS 22 CO 0.07 0.82 0.00 0.87 -2.27 0.00 0.00 179.45 178.95 2k2r h LYS 23 N 0.92 0.13 0.00 1.90 1.79 -1.08 0.23 116.57 120.47 2k2r h LYS 23 Ca 0.21 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.57 2k2r h LYS 23 Cb 0.27 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 2k2r h LYS 23 CO -0.01 0.15 -0.42 1.15 -1.08 0.00 0.00 179.45 179.24 2k2r h THR 24 N 0.14 0.83 0.00 -0.16 2.02 -0.53 -2.30 112.91 112.91 2k2r h THR 24 Ca 0.03 -1.81 -0.15 0.00 0.77 0.00 0.00 66.41 65.26 2k2r h THR 24 Cb 0.09 2.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 2k2r h THR 24 CO 0.00 0.41 -0.70 -0.07 0.37 0.00 0.00 175.52 175.53 2k2r h LEU 25 N 0.00 0.00 -1.12 2.58 3.38 -0.48 -2.62 115.31 117.05 2k2r h LEU 25 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2k2r h LEU 25 Cb 1.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2k2r h LEU 25 CO 0.05 0.70 -0.14 0.40 0.09 0.00 0.00 178.44 179.54 2k2r h ILE 26 N 0.00 1.23 0.17 1.22 2.04 -0.49 -2.85 117.51 118.82 2k2r h ILE 26 Ca -0.01 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 2k2r h ILE 26 Cb 1.44 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 2k2r h ILE 26 CO 0.09 0.33 -0.08 0.74 0.00 0.00 0.00 178.15 179.23 2k2r h THR 27 N 0.42 0.95 -0.74 -0.27 2.02 -1.09 -0.29 112.91 113.91 2k2r h THR 27 Ca 0.08 -0.66 0.16 0.00 0.77 0.00 0.00 66.41 66.76 2k2r h THR 27 Cb 0.50 1.35 -0.10 0.00 -1.74 0.00 0.00 68.15 68.15 2k2r h THR 27 CO 0.03 0.15 0.23 0.15 0.37 0.00 0.00 175.52 176.45 2k2r h PHE 28 N -0.55 0.37 -0.08 3.16 3.57 -1.34 0.39 116.94 122.46 2k2r h PHE 28 Ca -0.02 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 2k2r h PHE 28 Cb 0.42 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2k2r h PHE 28 CO 0.03 -0.03 -0.51 0.28 -2.23 0.00 0.00 178.31 175.84 2k2r h VAL 29 N 0.33 1.35 0.00 1.41 2.07 -1.44 -1.32 116.25 118.66 2k2r h VAL 29 Ca 0.42 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 66.17 2k2r h VAL 29 Cb 0.69 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 2k2r h VAL 29 CO -0.47 0.52 0.00 -1.13 0.02 0.00 0.00 177.57 176.51 2k2r h ASN 30 N 0.18 0.00 0.00 0.57 -0.73 0.16 0.20 115.58 115.95 2k2r h ASN 30 Ca 0.01 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 2k2r h ASN 30 Cb 0.97 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.56 2k2r h ASN 30 CO 0.08 0.00 -0.04 0.50 -0.37 0.00 0.00 177.43 177.60 2k2r h LYS 31 N 0.00 0.00 -0.27 6.67 3.11 0.01 2.26 116.57 128.35 2k2r h LYS 31 Ca 0.00 0.00 0.08 0.00 -2.81 0.00 0.00 60.65 57.92 2k2r h LYS 31 Cb 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.34 2k2r h LYS 31 CO 0.00 0.31 0.23 1.12 -2.81 0.00 0.00 179.45 178.29 2k2r h HIS 32 N -1.00 0.00 0.00 1.91 2.07 -1.27 -2.04 115.15 114.82 2k2r h HIS 32 Ca -0.01 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.42 2k2r h HIS 32 Cb 0.33 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.30 2k2r h HIS 32 CO 0.08 0.00 -0.57 -0.07 -3.07 0.00 0.00 177.93 174.29 2k2r h LEU 33 N 0.00 0.00 -0.72 6.12 3.38 -0.97 -3.30 115.31 119.82 2k2r h LEU 33 Ca 0.13 -0.54 0.09 0.00 0.09 0.00 0.00 57.88 57.64 2k2r h LEU 33 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2k2r h LEU 33 CO -0.00 1.10 0.92 0.78 0.09 0.00 0.00 178.44 181.33 2k2r h ASN 34 N -1.00 0.00 0.65 -0.43 4.21 0.45 0.85 115.58 120.31 2k2r h ASN 34 Ca -0.14 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.34 2k2r h ASN 34 Cb 0.93 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.14 2k2r h ASN 34 CO -0.08 0.00 -0.31 0.11 -1.29 0.00 0.00 177.43 175.85 2k2r h LYS 35 N 0.00 -0.84 0.00 0.81 6.56 -1.51 -0.83 116.57 120.76 2k2r h LYS 35 Ca 0.14 0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.79 2k2r h LYS 35 Cb 1.97 0.19 0.00 0.00 -0.57 0.00 0.00 32.23 33.82 2k2r h LYS 35 CO -0.00 -0.52 0.00 -0.11 -2.06 0.00 0.00 179.45 176.76 2k2r n LEU 36 N -5.40 0.00 -3.13 2.94 7.94 0.28 -4.88 117.00 114.75 2k2r n LEU 36 Ca -0.13 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.62 2k2r n LEU 36 Cb 0.37 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.33 2k2r n LEU 36 CO 0.33 0.00 -0.00 -0.46 -1.11 0.00 0.00 177.39 176.15 2k2r n ASN 37 N -0.59 -7.07 0.00 1.96 0.23 0.03 -5.04 115.26 104.78 2k2r n ASN 37 Ca 0.03 0.14 0.00 0.00 -0.53 0.00 0.00 54.58 54.22 2k2r n ASN 37 Cb 0.02 -4.15 0.00 0.00 -2.08 0.00 0.00 39.78 33.57 2k2r n ASN 37 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2k2r n LEU 38 N -0.72 0.00 -3.45 -4.53 4.77 -1.20 -4.95 117.00 106.93 2k2r n LEU 38 Ca 0.01 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.00 2k2r n LEU 38 Cb 0.54 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 2k2r n LEU 38 CO 0.52 0.00 0.52 -0.70 -1.33 0.00 0.00 177.39 176.40 2k2r s GLU 39 N 1.65 0.36 0.46 3.23 -6.30 -1.26 -4.52 118.70 112.32 2k2r s GLU 39 Ca 0.00 0.90 -0.05 0.00 -2.50 0.00 0.00 54.97 53.31 2k2r s GLU 39 Cb 0.00 0.54 -0.04 0.00 0.00 0.00 0.00 34.13 34.63 2k2r s GLU 39 CO 0.00 -0.14 0.76 0.54 0.02 0.00 0.00 175.26 176.44 2k2r s VAL 40 N 2.58 4.91 0.00 3.70 0.11 -1.26 -5.00 120.40 125.44 2k2r s VAL 40 Ca -0.03 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 2k2r s VAL 40 Cb -0.08 -3.85 0.00 0.00 -1.53 0.00 0.00 36.38 30.92 2k2r s VAL 40 CO -0.18 -0.78 0.00 0.41 -3.33 0.00 0.00 175.10 171.22 2k2r n THR 41 N -2.09 0.00 -3.60 5.04 -1.04 -1.26 -5.00 114.28 106.33 2k2r n THR 41 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 2k2r n THR 41 Cb 0.55 -0.15 -0.13 0.00 -1.82 0.00 0.00 70.33 68.78 2k2r n THR 41 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2k2r s GLU 42 N -1.11 0.76 0.20 -2.82 2.02 -1.26 -4.96 118.70 111.52 2k2r s GLU 42 Ca 0.00 -1.38 -0.11 0.00 0.02 0.00 0.00 54.97 53.50 2k2r s GLU 42 Cb 0.00 -1.74 0.16 0.00 0.10 0.00 0.00 34.13 32.65 2k2r s GLU 42 CO 0.00 -1.12 1.83 1.25 0.02 0.00 0.00 175.26 177.24 2k2r h LEU 43 N 7.33 0.63 -0.47 1.80 7.12 -1.93 -1.51 115.31 128.28 2k2r h LEU 43 Ca -0.04 0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.03 2k2r h LEU 43 Cb 0.97 -0.13 -0.07 0.00 -0.53 0.00 0.00 40.66 40.90 2k2r h LEU 43 CO 0.40 0.44 -0.45 -0.33 -0.13 0.00 0.00 178.44 178.36 2k2r h GLU 44 N 0.76 -0.21 0.00 1.25 5.08 -1.90 0.15 114.58 119.71 2k2r h GLU 44 Ca 0.25 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2k2r h GLU 44 Cb 0.03 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2k2r h GLU 44 CO -0.11 -0.14 0.00 0.25 -1.00 0.00 0.00 179.01 178.01 2k2r n THR 45 N -4.80 0.05 0.52 1.13 -2.24 -1.09 -2.77 114.28 105.08 2k2r n THR 45 Ca -0.01 0.01 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2k2r n THR 45 Cb 0.25 -0.59 0.42 0.00 -2.10 0.00 0.00 70.33 68.31 2k2r n THR 45 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2k2r h GLN 46 N 0.00 0.00 0.00 -0.78 1.08 0.37 -2.07 115.11 113.71 2k2r h GLN 46 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k2r h GLN 46 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2k2r h GLN 46 CO 0.00 0.00 -1.20 1.19 -0.95 0.00 0.00 178.83 177.87 2k2r n PHE 47 N -2.37 0.12 0.38 2.96 3.01 -1.11 -3.27 117.46 117.17 2k2r n PHE 47 Ca 0.04 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.54 2k2r n PHE 47 Cb 0.39 -0.30 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 2k2r n PHE 47 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2k2r n ALA 48 N -1.80 2.07 0.00 4.37 0.00 -0.78 -1.96 120.51 122.41 2k2r n ALA 48 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2k2r n ALA 48 Cb 0.43 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.80 2k2r n ALA 48 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k2r n ASP 49 N 0.90 0.00 0.00 0.00 5.68 -1.26 -4.89 116.55 116.98 2k2r n ASP 49 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2k2r n ASP 49 Cb 0.24 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 2k2r n ASP 49 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k2r n GLY 50 N -0.09 0.00 0.41 6.12 0.00 -0.83 -4.69 105.19 106.11 2k2r n GLY 50 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2k2r n GLY 50 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k2r h VAL 51 N 0.00 0.00 0.00 1.61 2.07 -1.89 -1.05 116.25 116.99 2k2r h VAL 51 Ca 0.00 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2k2r h VAL 51 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2k2r h VAL 51 CO 0.00 0.00 0.43 1.88 0.02 0.00 0.00 177.57 179.90 2k2r h TYR 52 N -1.12 0.00 0.07 1.57 0.05 -1.84 -0.16 116.97 115.55 2k2r h TYR 52 Ca -0.11 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.67 2k2r h TYR 52 Cb 0.80 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.54 2k2r h TYR 52 CO 0.03 0.00 -0.03 1.25 -1.05 0.00 0.00 178.16 178.36 2k2r h LEU 53 N 0.00 -0.08 -1.99 3.88 5.85 -1.46 -2.41 115.31 119.10 2k2r h LEU 53 Ca 0.00 -0.28 0.19 0.00 0.84 0.00 0.00 57.88 58.63 2k2r h LEU 53 Cb 0.86 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 2k2r h LEU 53 CO 0.00 0.53 0.51 0.58 -0.34 0.00 0.00 178.44 179.73 2k2r h VAL 54 N -0.99 0.58 -0.42 1.05 2.07 -0.73 0.86 116.25 118.66 2k2r h VAL 54 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 2k2r h VAL 54 Cb 0.35 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2k2r h VAL 54 CO 0.02 0.00 0.20 0.25 0.02 0.00 0.00 177.57 178.05 2k2r h LEU 55 N 0.00 0.55 -0.12 2.57 6.46 -1.42 -2.62 115.31 120.74 2k2r h LEU 55 Ca 0.32 -0.13 0.05 0.00 -0.12 0.00 0.00 57.88 57.99 2k2r h LEU 55 Cb 1.34 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 41.06 2k2r h LEU 55 CO -0.00 0.53 -0.33 0.25 -0.62 0.00 0.00 178.44 178.28 2k2r h LEU 56 N 0.54 -1.01 -1.10 2.25 5.85 0.13 0.13 115.31 122.09 2k2r h LEU 56 Ca 0.14 0.15 0.32 0.00 0.84 0.00 0.00 57.88 59.33 2k2r h LEU 56 Cb 0.13 0.42 -0.14 0.00 0.37 0.00 0.00 40.66 41.45 2k2r h LEU 56 CO -0.02 -0.36 0.62 0.24 -0.34 0.00 0.00 178.44 178.58 2k2r h MET 57 N -0.41 0.33 0.17 1.25 2.86 -1.11 -0.88 114.93 117.15 2k2r h MET 57 Ca 0.09 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 2k2r h MET 57 Cb 0.55 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2k2r h MET 57 CO -0.35 0.22 -0.08 0.78 1.06 0.00 0.00 176.91 178.54 2k2r h GLY 58 N 0.34 -0.24 1.49 8.32 0.00 -0.54 -2.76 103.07 109.68 2k2r h GLY 58 Ca 0.71 0.09 0.00 0.00 0.00 0.00 0.00 47.33 48.13 2k2r h GLY 58 CO -0.52 -0.09 0.21 1.41 0.00 0.00 0.00 176.54 177.55 2k2r h LEU 59 N -1.06 0.00 0.00 3.11 3.38 -0.84 1.02 115.31 120.92 2k2r h LEU 59 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2k2r h LEU 59 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2k2r h LEU 59 CO 0.04 0.00 -0.14 0.25 0.09 0.00 0.00 178.44 178.68 2k2r h LEU 60 N 0.00 0.00 -0.01 1.67 7.12 -1.20 -3.27 115.31 119.62 2k2r h LEU 60 Ca 0.00 -0.85 0.00 0.00 0.13 0.00 0.00 57.88 57.16 2k2r h LEU 60 Cb 0.42 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 2k2r h LEU 60 CO 0.00 1.00 -0.01 -0.62 -0.13 0.00 0.00 178.44 178.69 2k2r n GLU 61 N -4.61 0.38 -1.97 1.25 1.02 0.12 -4.91 120.64 111.93 2k2r n GLU 61 Ca -0.11 -0.01 -0.02 0.00 -0.02 0.00 0.00 57.16 56.99 2k2r n GLU 61 Cb 0.46 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.39 2k2r n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k2r n GLY 62 N 1.31 0.48 3.06 0.62 0.00 0.33 -5.07 105.19 105.92 2k2r n GLY 62 Ca 0.13 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 2k2r n GLY 62 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2k2r s TYR 63 N -3.06 0.55 0.07 1.61 5.04 -0.49 -4.98 117.35 116.09 2k2r s TYR 63 Ca 0.04 -0.68 -0.17 0.00 -2.44 0.00 0.00 57.07 53.82 2k2r s TYR 63 Cb -0.01 -0.35 -0.06 0.00 0.35 0.00 0.00 41.96 41.89 2k2r s TYR 63 CO 0.11 -0.18 0.52 0.12 -1.34 0.00 0.00 175.55 174.78 2k2r s PHE 64 N -2.22 3.75 -0.56 4.97 5.36 -1.26 -3.88 117.98 124.14 2k2r s PHE 64 Ca -0.05 1.16 -0.00 0.00 -0.96 0.00 0.00 56.93 57.07 2k2r s PHE 64 Cb -0.04 -2.41 0.14 0.00 -0.34 0.00 0.00 43.02 40.37 2k2r s PHE 64 CO -0.03 0.58 0.34 0.08 -1.46 0.00 0.00 175.22 174.73 2k2r s VAL 65 N -1.17 3.22 0.60 3.12 1.01 -1.26 -5.06 120.40 120.86 2k2r s VAL 65 Ca 0.29 -3.02 -0.09 0.00 0.00 0.00 0.00 61.98 59.16 2k2r s VAL 65 Cb -0.18 -3.16 0.15 0.00 0.00 0.00 0.00 36.38 33.19 2k2r s VAL 65 CO 0.18 -0.83 0.33 -2.65 0.00 0.00 0.00 175.10 172.13 2k2r n PRO 66 N 3.44 -2.48 -0.01 2.72 -0.02 -1.26 -4.87 135.00 132.53 2k2r n PRO 66 Ca 0.06 -0.55 -0.09 0.00 -2.02 0.00 0.00 63.50 60.89 2k2r n PRO 66 Cb 0.36 -0.79 -0.08 0.00 -0.02 0.00 0.00 33.50 32.97 2k2r n PRO 66 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2k2r h LEU 67 N 0.00 -0.08 0.00 2.45 5.85 -1.99 -3.15 115.31 118.38 2k2r h LEU 67 Ca -0.15 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.09 2k2r h LEU 67 Cb 0.51 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2k2r h LEU 67 CO 0.09 0.60 0.00 0.00 -0.34 0.00 0.00 178.44 178.79 2k2r n HIS 68 N -4.79 0.00 0.05 1.25 1.44 -1.26 -1.94 115.22 109.98 2k2r n HIS 68 Ca -0.07 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.63 2k2r n HIS 68 Cb 0.27 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.31 2k2r n HIS 68 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2k2r h SER 69 N 0.00 0.00 0.00 4.39 0.87 -1.88 -3.46 113.55 113.47 2k2r h SER 69 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k2r h SER 69 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2k2r h SER 69 CO 0.00 0.68 0.00 0.49 -0.53 0.00 0.00 176.83 177.47 2k2r n PHE 70 N -3.05 -0.11 -3.78 2.24 3.72 -0.82 -4.99 117.46 110.67 2k2r n PHE 70 Ca -0.07 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.04 2k2r n PHE 70 Cb 0.86 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.29 2k2r n PHE 70 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2k2r n PHE 71 N -0.11 3.47 -2.51 1.38 3.01 -1.26 -5.06 117.46 116.38 2k2r n PHE 71 Ca 0.00 -4.25 0.10 0.00 1.01 0.00 0.00 57.45 54.31 2k2r n PHE 71 Cb 0.00 -0.71 -0.03 0.00 -0.01 0.00 0.00 39.48 38.73 2k2r n PHE 71 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2k2r n LEU 72 N 1.84 0.00 -4.39 4.37 4.77 -1.26 -4.73 117.00 117.60 2k2r n LEU 72 Ca 0.22 0.80 -0.33 0.00 -0.03 0.00 0.00 56.01 56.66 2k2r n LEU 72 Cb 0.36 -2.28 -0.14 0.00 -2.33 0.00 0.00 43.42 39.04 2k2r n LEU 72 CO 0.31 -1.99 -0.41 0.42 -1.33 0.00 0.00 177.39 174.39 2k2r s THR 73 N -1.21 3.31 0.13 -5.08 -4.23 -1.26 -5.07 115.64 102.23 2k2r s THR 73 Ca 0.00 -0.56 -0.32 0.00 -1.18 0.00 0.00 61.69 59.63 2k2r s THR 73 Cb 0.00 -2.43 -0.12 0.00 1.34 0.00 0.00 72.50 71.30 2k2r s THR 73 CO 0.00 0.50 1.77 -2.65 -0.54 0.00 0.00 174.62 173.70 2k2r n PRO 74 N 3.74 2.60 -0.05 3.99 -0.02 -1.26 -4.86 135.00 139.13 2k2r n PRO 74 Ca -0.18 0.94 -0.08 0.00 -2.02 0.00 0.00 63.50 62.17 2k2r n PRO 74 Cb 0.52 -2.80 -0.04 0.00 -0.02 0.00 0.00 33.50 31.16 2k2r n PRO 74 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2k2r n ASP 75 N 4.93 2.55 -2.18 2.55 2.03 -1.26 -4.95 116.55 120.22 2k2r n ASP 75 Ca 0.18 -0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.45 2k2r n ASP 75 Cb 0.34 -0.19 -0.01 0.00 -0.72 0.00 0.00 41.12 40.54 2k2r n ASP 75 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2k2r n SER 76 N -2.97 1.91 0.36 1.67 3.41 -1.26 -5.03 113.62 111.71 2k2r n SER 76 Ca -0.18 -1.24 -0.15 0.00 -0.26 0.00 0.00 58.87 57.04 2k2r n SER 76 Cb 0.67 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.60 2k2r n SER 76 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2k2r h PHE 77 N 1.04 -0.88 -1.00 7.33 3.57 -1.99 -2.53 116.94 122.47 2k2r h PHE 77 Ca -0.04 -0.02 0.26 0.00 3.53 0.00 0.00 57.97 61.70 2k2r h PHE 77 Cb 0.14 0.29 -0.13 0.00 2.79 0.00 0.00 35.95 39.04 2k2r h PHE 77 CO 0.00 -0.53 0.59 1.49 -2.23 0.00 0.00 178.31 177.63 2k2r h GLU 78 N -1.22 0.52 -0.39 1.11 4.81 -1.97 0.53 114.58 117.96 2k2r h GLU 78 Ca -0.10 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 2k2r h GLU 78 Cb 0.74 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 2k2r h GLU 78 CO 0.16 0.34 -0.04 1.96 -0.73 0.00 0.00 179.01 180.70 2k2r h GLN 79 N 0.53 0.65 -0.02 1.92 4.20 -1.94 -1.18 115.11 119.26 2k2r h GLN 79 Ca 0.66 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 59.15 2k2r h GLN 79 Cb 1.31 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2k2r h GLN 79 CO -0.50 0.70 -0.19 0.87 -0.67 0.00 0.00 178.83 179.04 2k2r h LYS 80 N 0.60 0.17 -0.37 1.46 1.57 0.34 -2.50 116.57 117.84 2k2r h LYS 80 Ca 0.12 -0.15 0.11 0.00 -1.87 0.00 0.00 60.65 58.86 2k2r h LYS 80 Cb 0.45 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2k2r h LYS 80 CO 0.02 0.83 0.41 0.28 -0.57 0.00 0.00 179.45 180.43 2k2r h VAL 81 N -0.44 0.38 0.20 0.50 2.07 -0.55 0.36 116.25 118.76 2k2r h VAL 81 Ca -0.02 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.17 2k2r h VAL 81 Cb 0.88 0.67 0.02 0.00 -1.52 0.00 0.00 31.29 31.34 2k2r h VAL 81 CO 0.04 0.00 -1.58 0.25 0.02 0.00 0.00 177.57 176.29 2k2r h LEU 82 N 0.00 0.66 -1.86 2.57 5.85 -1.05 -0.66 115.31 120.82 2k2r h LEU 82 Ca 0.18 -0.83 -0.01 0.00 0.84 0.00 0.00 57.88 58.05 2k2r h LEU 82 Cb 1.00 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 2k2r h LEU 82 CO -0.00 1.68 -0.07 -1.13 -0.34 0.00 0.00 178.44 178.58 2k2r h ASN 83 N 0.11 0.01 0.61 1.25 -0.73 -0.50 -0.85 115.58 115.47 2k2r h ASN 83 Ca -0.28 -0.00 -0.27 0.00 1.87 0.00 0.00 56.30 57.61 2k2r h ASN 83 Cb 2.11 -0.00 -0.04 0.00 0.27 0.00 0.00 38.32 40.65 2k2r h ASN 83 CO 0.21 0.07 -1.54 0.58 -0.37 0.00 0.00 177.43 176.39 2k2r h VAL 84 N 0.01 1.05 0.00 2.57 2.07 -1.38 -2.83 116.25 117.74 2k2r h VAL 84 Ca 0.00 -2.87 -0.04 0.00 0.82 0.00 0.00 66.70 64.61 2k2r h VAL 84 Cb 0.12 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 2k2r h VAL 84 CO 0.01 0.61 -0.20 0.28 0.02 0.00 0.00 177.57 178.29 2k2r h SER 85 N 0.00 0.00 0.10 0.57 0.02 -0.34 0.66 113.55 114.56 2k2r h SER 85 Ca -0.22 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2k2r h SER 85 Cb 1.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.50 2k2r h SER 85 CO 0.09 0.20 -0.05 0.15 -1.14 0.00 0.00 176.83 176.08 2k2r h PHE 86 N 0.00 -0.12 -0.69 3.45 3.57 -1.22 -0.83 116.94 121.11 2k2r h PHE 86 Ca -0.00 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.63 2k2r h PHE 86 Cb 0.45 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 2k2r h PHE 86 CO 0.00 0.34 0.46 0.00 -2.23 0.00 0.00 178.31 176.88 2k2r h ALA 87 N -0.40 2.13 0.00 2.41 0.00 -1.26 1.41 119.26 123.55 2k2r h ALA 87 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2k2r h ALA 87 Cb 0.52 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k2r h ALA 87 CO 0.02 -0.30 -0.12 0.35 0.00 0.00 0.00 179.25 179.20 2k2r h PHE 88 N 0.37 0.00 0.06 0.00 3.04 -0.82 -1.38 116.94 118.22 2k2r h PHE 88 Ca 0.33 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 62.18 2k2r h PHE 88 Cb 0.78 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.30 2k2r h PHE 88 CO -0.00 0.12 -0.42 0.93 -2.02 0.00 0.00 178.31 176.92 2k2r h GLU 89 N 0.00 0.18 0.00 1.11 4.39 0.34 -0.42 114.58 120.18 2k2r h GLU 89 Ca -0.00 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2k2r h GLU 89 Cb 0.73 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2k2r h GLU 89 CO 0.02 1.09 0.00 -0.07 -1.16 0.00 0.00 179.01 178.89 2k2r h LEU 90 N -0.59 0.00 0.06 1.33 3.38 -1.18 -2.58 115.31 115.73 2k2r h LEU 90 Ca -0.07 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.71 2k2r h LEU 90 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2k2r h LEU 90 CO 0.08 0.00 -1.00 0.24 0.09 0.00 0.00 178.44 177.85 2k2r h MET 91 N 0.00 0.13 -0.33 1.13 2.86 -1.21 1.37 114.93 118.88 2k2r h MET 91 Ca 0.00 -0.22 0.10 0.00 -2.06 0.00 0.00 59.70 57.52 2k2r h MET 91 Cb 0.47 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 2k2r h MET 91 CO 0.00 1.10 0.27 -0.56 1.06 0.00 0.00 176.91 178.79 2k2r h GLN 92 N -0.65 0.00 0.00 1.72 -0.00 -0.97 0.48 115.11 115.69 2k2r h GLN 92 Ca -0.23 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.24 2k2r h GLN 92 Cb 1.46 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.91 2k2r h GLN 92 CO -0.02 0.00 -1.11 -3.47 -0.00 0.00 0.00 178.83 174.23 2k2r n ASP 93 N -4.16 1.85 0.00 0.06 -0.08 -0.98 -3.84 116.55 109.40 2k2r n ASP 93 Ca 0.05 0.48 0.00 0.00 -1.51 0.00 0.00 54.79 53.81 2k2r n ASP 93 Cb 0.44 -0.92 0.00 0.00 2.34 0.00 0.00 41.12 42.98 2k2r n ASP 93 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k2r n GLY 94 N 1.48 -0.02 0.00 0.27 0.00 0.47 -4.87 105.19 102.53 2k2r n GLY 94 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2k2r n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2r n GLY 95 N -0.99 0.98 4.46 -0.02 0.00 0.16 -4.96 105.19 104.82 2k2r n GLY 95 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2k2r n GLY 95 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k2r n LEU 96 N 0.00 0.00 0.00 0.99 7.94 -1.18 -4.16 117.00 120.59 2k2r n LEU 96 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2k2r n LEU 96 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2k2r n LEU 96 CO 0.00 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 175.66 2k2r n GLU 97 N -0.36 0.00 -3.72 1.96 1.02 -1.26 -4.34 120.64 113.94 2k2r n GLU 97 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 2k2r n GLU 97 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 2k2r n GLU 97 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2k2r s LYS 98 N 0.00 2.28 0.90 3.49 -0.14 -1.26 -5.07 119.74 119.94 2k2r s LYS 98 Ca 0.00 -2.05 -0.11 0.00 -1.36 0.00 0.00 55.97 52.45 2k2r s LYS 98 Cb 0.00 -3.70 0.13 0.00 -1.68 0.00 0.00 37.83 32.58 2k2r s LYS 98 CO 0.00 -1.13 1.09 -1.25 -0.76 0.00 0.00 175.35 173.30 2k2r s PRO 99 N 0.78 1.23 0.04 -1.68 0.04 -1.26 -5.01 135.00 129.14 2k2r s PRO 99 Ca 0.11 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.03 2k2r s PRO 99 Cb -0.22 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2k2r s PRO 99 CO -0.04 -2.27 0.00 1.63 0.04 0.00 0.00 177.00 176.36 2k2r n LYS 100 N -3.91 0.00 -1.35 4.56 5.02 -1.26 -5.12 118.16 116.10 2k2r n LYS 100 Ca 0.07 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.18 2k2r n LYS 100 Cb 0.55 -0.05 0.12 0.00 -0.02 0.00 0.00 35.03 35.62 2k2r n LYS 100 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2k2r n PRO 101 N -2.70 -0.63 -4.37 1.97 -0.04 -1.26 -5.09 135.00 122.87 2k2r n PRO 101 Ca 0.00 -1.40 -0.29 0.00 -0.04 0.00 0.00 63.50 61.76 2k2r n PRO 101 Cb 0.05 -0.79 -0.12 0.00 -0.04 0.00 0.00 33.50 32.60 2k2r n PRO 101 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2k2r s ARG 102 N -4.71 1.69 0.59 0.54 0.52 -1.26 -4.98 118.95 111.33 2k2r s ARG 102 Ca 0.47 -1.21 0.37 0.00 -0.52 0.00 0.00 55.73 54.83 2k2r s ARG 102 Cb -0.01 -2.05 1.30 0.00 0.52 0.00 0.00 34.95 34.70 2k2r s ARG 102 CO 0.33 0.48 1.46 -1.35 0.02 0.00 0.00 175.30 176.23 2k2r h PRO 103 N 3.86 0.00 0.26 3.54 0.11 -1.90 0.91 132.00 138.78 2k2r h PRO 103 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2k2r h PRO 103 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k2r h PRO 103 CO 0.44 0.00 -0.12 0.93 -0.21 0.00 0.00 178.00 179.04 2k2r h GLU 104 N 0.00 -0.34 -1.23 1.05 5.08 -1.94 -2.39 114.58 114.82 2k2r h GLU 104 Ca 0.66 0.02 0.36 0.00 -1.00 0.00 0.00 59.36 59.40 2k2r h GLU 104 Cb 3.15 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 32.43 2k2r h GLU 104 CO -0.01 -0.08 1.18 -0.44 -1.00 0.00 0.00 179.01 178.66 2k2r h ASP 105 N -1.02 0.00 0.00 1.42 3.32 0.47 0.88 116.42 121.49 2k2r h ASP 105 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2k2r h ASP 105 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2k2r h ASP 105 CO 0.06 0.00 -0.04 0.40 -1.72 0.00 0.00 179.24 177.94 2k2r h ILE 106 N 0.00 0.00 -1.49 0.35 1.08 -1.37 -3.32 117.51 112.76 2k2r h ILE 106 Ca 0.58 -0.20 0.43 0.00 -0.39 0.00 0.00 64.86 65.29 2k2r h ILE 106 Cb 2.93 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 36.62 2k2r h ILE 106 CO -0.01 0.00 1.08 0.58 -0.69 0.00 0.00 178.15 179.12 2k2r h VAL 107 N -0.20 0.24 0.00 1.67 2.07 -0.55 0.39 116.25 119.87 2k2r h VAL 107 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k2r h VAL 107 Cb 0.04 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 2k2r h VAL 107 CO 0.00 0.00 0.00 -3.20 0.02 0.00 0.00 177.57 174.39 2k2r n ASN 108 N -4.06 0.00 0.00 0.57 2.85 0.29 -4.53 115.26 110.38 2k2r n ASN 108 Ca 0.33 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.80 2k2r n ASN 108 Cb 1.55 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.57 2k2r n ASN 108 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k2r s ASP 110 N -1.19 2.94 -0.17 0.00 1.47 -1.26 -4.77 116.67 113.69 2k2r s ASP 110 Ca 0.00 1.48 -0.15 0.00 1.18 0.00 0.00 52.55 55.05 2k2r s ASP 110 Cb 0.00 -2.15 -0.05 0.00 -0.34 0.00 0.00 42.92 40.38 2k2r s ASP 110 CO 0.00 -2.97 -0.29 0.18 0.68 0.00 0.00 175.17 172.76 2k2r n LEU 111 N -4.10 1.90 0.00 2.11 7.99 -1.26 -4.29 117.00 119.35 2k2r n LEU 111 Ca 0.06 0.42 0.00 0.00 -0.01 0.00 0.00 56.01 56.49 2k2r n LEU 111 Cb 0.55 -0.78 0.00 0.00 -0.11 0.00 0.00 43.42 43.08 2k2r n LEU 111 CO 0.56 -0.31 0.14 1.17 -1.51 0.00 0.00 177.39 177.44 2k2r n LYS 112 N -4.50 0.00 0.41 3.23 4.81 -1.26 0.03 118.16 120.88 2k2r n LYS 112 Ca -0.13 0.28 -0.18 0.00 -0.87 0.00 0.00 58.31 57.40 2k2r n LYS 112 Cb 0.45 -0.50 -0.09 0.00 0.02 0.00 0.00 35.03 34.91 2k2r n LYS 112 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2k2r h SER 113 N 0.00 -0.88 -0.99 3.14 4.64 -1.85 -2.81 113.55 114.79 2k2r h SER 113 Ca 0.00 0.02 0.35 0.00 -0.47 0.00 0.00 61.79 61.69 2k2r h SER 113 Cb 0.00 0.23 -0.16 0.00 -0.31 0.00 0.00 62.40 62.16 2k2r h SER 113 CO 0.00 -0.60 0.52 0.00 -0.87 0.00 0.00 176.83 175.89 2k2r h THR 114 N -1.08 0.20 -0.56 2.95 1.03 -1.61 0.56 112.91 114.40 2k2r h THR 114 Ca -0.11 -0.07 -0.07 0.00 -0.01 0.00 0.00 66.41 66.15 2k2r h THR 114 Cb 0.80 -0.03 -0.02 0.00 -1.07 0.00 0.00 68.15 67.83 2k2r h THR 114 CO 0.17 0.04 0.06 -0.07 -0.01 0.00 0.00 175.52 175.71 2k2r h LEU 115 N 0.20 0.91 -0.09 0.00 3.38 -0.15 -1.48 115.31 118.08 2k2r h LEU 115 Ca 0.76 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 58.45 2k2r h LEU 115 Cb 1.82 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.32 2k2r h LEU 115 CO -0.67 0.96 0.05 0.03 0.09 0.00 0.00 178.44 178.90 2k2r h ARG 116 N 0.83 0.12 -0.41 1.13 -0.00 0.34 -1.27 114.38 115.11 2k2r h ARG 116 Ca 0.17 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.98 59.52 2k2r h ARG 116 Cb 0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.39 2k2r h ARG 116 CO 0.02 0.11 -0.18 0.28 0.00 0.00 0.00 179.97 180.20 2k2r h VAL 117 N 0.09 1.28 -0.45 2.04 2.07 -1.44 -2.78 116.25 117.05 2k2r h VAL 117 Ca 0.03 -1.31 0.04 0.00 0.82 0.00 0.00 66.70 66.28 2k2r h VAL 117 Cb 0.02 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 2k2r h VAL 117 CO -0.01 0.44 0.22 -0.07 0.02 0.00 0.00 177.57 178.17 2k2r h LEU 118 N 0.66 0.31 -0.51 2.57 4.07 -1.13 -0.24 115.31 121.04 2k2r h LEU 118 Ca 0.09 0.03 0.10 0.00 0.08 0.00 0.00 57.88 58.18 2k2r h LEU 118 Cb 0.73 -0.03 -0.10 0.00 1.08 0.00 0.00 40.66 42.34 2k2r h LEU 118 CO 0.06 0.22 -0.22 0.22 -1.08 0.00 0.00 178.44 177.64 2k2r h TYR 119 N 0.44 -0.55 -0.98 1.13 3.20 -1.08 0.71 116.97 119.84 2k2r h TYR 119 Ca 0.20 0.05 0.30 0.00 3.14 0.00 0.00 58.73 62.43 2k2r h TYR 119 Cb 0.12 0.32 -0.15 0.00 1.54 0.00 0.00 36.73 38.56 2k2r h TYR 119 CO -0.11 -0.30 0.51 -0.97 -1.64 0.00 0.00 178.16 175.65 2k2r h ASN 120 N -0.10 0.43 0.36 -2.11 -0.00 -0.79 -0.93 115.58 112.44 2k2r h ASN 120 Ca 0.24 0.19 -0.02 0.00 -0.00 0.00 0.00 56.30 56.71 2k2r h ASN 120 Cb 0.47 0.16 0.00 0.00 -0.00 0.00 0.00 38.32 38.95 2k2r h ASN 120 CO -0.57 -0.13 -0.17 -0.07 -0.00 0.00 0.00 177.43 176.48 2k2r h LEU 121 N 0.32 -0.41 -1.35 0.34 4.07 0.96 -2.74 115.31 116.50 2k2r h LEU 121 Ca 0.70 -0.03 0.36 0.00 0.08 0.00 0.00 57.88 58.99 2k2r h LEU 121 Cb 1.56 0.10 -0.05 0.00 1.08 0.00 0.00 40.66 43.36 2k2r h LEU 121 CO -0.61 0.04 1.23 0.15 -1.08 0.00 0.00 178.44 178.17 2k2r h PHE 122 N -1.10 0.00 0.00 1.13 3.57 -0.11 1.80 116.94 122.23 2k2r h PHE 122 Ca -0.05 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 2k2r h PHE 122 Cb 0.41 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2k2r h PHE 122 CO 0.01 0.00 -0.09 1.15 -2.23 0.00 0.00 178.31 177.15 2k2r h THR 123 N 0.00 1.61 0.00 4.41 2.02 -1.09 -0.46 112.91 119.40 2k2r h THR 123 Ca 0.59 -1.90 -0.06 0.00 0.77 0.00 0.00 66.41 65.81 2k2r h THR 123 Cb 3.04 2.87 -0.01 0.00 -1.74 0.00 0.00 68.15 72.31 2k2r h THR 123 CO -0.01 0.50 -0.27 0.11 0.37 0.00 0.00 175.52 176.23 2k2r h LYS 124 N -0.70 0.00 0.00 6.66 1.57 0.30 -3.26 116.57 121.15 2k2r h LYS 124 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2k2r h LYS 124 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 2k2r h LYS 124 CO 0.02 0.27 -1.65 0.66 -0.57 0.00 0.00 179.45 178.17 2k2r n TYR 125 N -3.83 0.00 -0.50 -1.35 4.02 -0.28 -4.40 117.16 110.81 2k2r n TYR 125 Ca -0.02 0.00 0.41 0.00 -0.01 0.00 0.00 57.90 58.29 2k2r n TYR 125 Cb 0.36 -0.33 0.72 0.00 -0.02 0.00 0.00 39.34 40.06 2k2r n TYR 125 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2k2r h ARG 126 N 0.00 0.06 0.00 -0.72 2.43 -1.11 0.65 114.38 115.68 2k2r h ARG 126 Ca 0.00 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2k2r h ARG 126 Cb 0.68 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 2k2r h ARG 126 CO 0.00 0.04 -1.97 0.09 -1.51 0.00 0.00 179.97 176.62 2k2r n ASN 127 N -4.36 0.17 -4.61 -3.80 3.02 -1.26 -4.88 115.26 99.55 2k2r n ASN 127 Ca 0.37 0.07 -0.34 0.00 -0.03 0.00 0.00 54.58 54.65 2k2r n ASN 127 Cb 1.56 1.35 -0.10 0.00 -0.61 0.00 0.00 39.78 41.98 2k2r n ASN 127 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2k2r s VAL 128 N -3.13 4.68 -2.00 2.41 1.01 0.23 -5.22 120.40 118.37 2k2r s VAL 128 Ca -0.07 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 61.91 2k2r s VAL 128 Cb 0.11 -3.11 0.23 0.00 0.00 0.00 0.00 36.38 33.61 2k2r s VAL 128 CO 0.87 0.46 0.93 -0.62 0.00 0.00 0.00 175.10 176.74