#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2r s HIS 2 N 0.00 1.40 0.35 -1.55 -3.43 -1.26 -4.95 115.29 105.84 2k2r s HIS 2 Ca 0.00 0.93 -0.14 0.00 -0.80 0.00 0.00 55.06 55.05 2k2r s HIS 2 Cb 0.00 -3.90 -0.09 0.00 -1.43 0.00 0.00 32.58 27.16 2k2r s HIS 2 CO 0.00 -2.96 0.76 -1.83 -2.00 0.00 0.00 174.74 168.71 2k2r s GLU 3 N 6.92 3.96 0.02 -0.38 -1.05 -1.26 -5.03 118.70 121.89 2k2r s GLU 3 Ca 0.88 0.66 -0.28 0.00 -0.15 0.00 0.00 54.97 56.07 2k2r s GLU 3 Cb -0.21 -2.40 -0.04 0.00 -0.44 0.00 0.00 34.13 31.03 2k2r s GLU 3 CO 0.29 0.10 0.90 0.50 0.95 0.00 0.00 175.26 177.99 2k2r s ARG 4 N -3.20 4.56 0.00 -4.83 3.00 -1.26 -5.00 118.95 112.23 2k2r s ARG 4 Ca 0.54 1.29 0.00 0.00 -1.00 0.00 0.00 55.73 56.56 2k2r s ARG 4 Cb -0.10 -3.42 0.00 0.00 0.00 0.00 0.00 34.95 31.43 2k2r s ARG 4 CO 0.20 0.08 0.00 -3.47 0.00 0.00 0.00 175.30 172.11 2k2r n ASP 5 N 3.45 0.00 -0.06 -2.12 2.03 -1.26 -5.04 116.55 113.55 2k2r n ASP 5 Ca 0.03 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.29 2k2r n ASP 5 Cb 0.50 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.87 2k2r n ASP 5 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k2r h ALA 6 N 1.00 0.01 -0.63 -1.67 0.00 -2.00 -3.31 119.26 112.66 2k2r h ALA 6 Ca 0.00 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.75 2k2r h ALA 6 Cb 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.79 2k2r h ALA 6 CO 0.00 0.11 -0.46 0.27 0.00 0.00 0.00 179.25 179.17 2k2r h PHE 7 N -1.00 -1.37 -0.03 0.00 -0.00 -1.97 0.30 116.94 112.87 2k2r h PHE 7 Ca -0.02 0.09 0.00 0.00 -0.00 0.00 0.00 57.97 58.04 2k2r h PHE 7 Cb 0.36 0.69 -0.00 0.00 -0.00 0.00 0.00 35.95 37.00 2k2r h PHE 7 CO 0.04 -0.42 -0.03 0.22 -0.00 0.00 0.00 178.31 178.12 2k2r h ASP 8 N -0.21 -0.09 -0.22 -0.68 1.82 -1.95 1.52 116.42 116.61 2k2r h ASP 8 Ca 0.18 0.01 0.05 0.00 -0.39 0.00 0.00 57.03 56.89 2k2r h ASP 8 Cb 0.55 0.04 -0.06 0.00 0.68 0.00 0.00 39.33 40.55 2k2r h ASP 8 CO -0.73 -0.02 -0.15 0.74 -1.61 0.00 0.00 179.24 177.48 2k2r h THR 9 N -0.01 0.57 0.42 2.25 2.02 -1.52 0.79 112.91 117.43 2k2r h THR 9 Ca 0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 2k2r h THR 9 Cb 0.02 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 2k2r h THR 9 CO -0.03 0.00 -0.48 -0.07 0.37 0.00 0.00 175.52 175.30 2k2r h LEU 10 N -0.14 -1.34 -0.00 2.58 4.07 0.43 0.44 115.31 121.34 2k2r h LEU 10 Ca 0.12 0.12 0.03 0.00 0.08 0.00 0.00 57.88 58.23 2k2r h LEU 10 Cb 0.33 0.45 -0.04 0.00 1.08 0.00 0.00 40.66 42.49 2k2r h LEU 10 CO -0.30 -0.62 -0.19 -0.26 -1.08 0.00 0.00 178.44 175.98 2k2r h PHE 11 N -0.92 -0.49 -0.09 1.13 0.04 0.24 2.61 116.94 119.46 2k2r h PHE 11 Ca -0.04 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.78 2k2r h PHE 11 Cb 0.82 0.22 -0.06 0.00 2.20 0.00 0.00 35.95 39.13 2k2r h PHE 11 CO -0.28 -0.27 -0.49 0.22 -0.60 0.00 0.00 178.31 176.90 2k2r h ASP 12 N -0.30 -1.53 -0.68 2.17 3.58 0.10 -2.81 116.42 116.96 2k2r h ASP 12 Ca 0.06 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.69 2k2r h ASP 12 Cb 0.38 0.60 0.00 0.00 1.72 0.00 0.00 39.33 42.03 2k2r h ASP 12 CO -0.18 -0.47 0.00 1.57 -2.88 0.00 0.00 179.24 177.28 2k2r n HIS 13 N -5.45 0.90 -2.70 0.28 -0.00 0.15 -4.73 115.22 103.67 2k2r n HIS 13 Ca -0.06 -0.49 -0.06 0.00 0.46 0.00 0.00 57.72 57.57 2k2r n HIS 13 Cb 0.38 -0.00 0.07 0.00 -0.12 0.00 0.00 29.99 30.32 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 1.50 -2.52 0.32 1.57 0.00 0.88 -4.95 120.51 117.31 2k2r n ALA 14 Ca 0.23 -0.81 0.14 0.00 0.00 0.00 0.00 53.44 53.00 2k2r n ALA 14 Cb 0.60 -2.36 0.64 0.00 0.00 0.00 0.00 19.45 18.32 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 3.36 0.00 0.15 0.00 0.14 -1.47 -2.82 132.00 131.36 2k2r h PRO 15 Ca -0.20 0.00 -0.35 0.00 0.14 0.00 0.00 66.00 65.59 2k2r h PRO 15 Cb 1.13 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.27 2k2r h PRO 15 CO 0.04 0.00 -1.77 -0.44 0.14 0.00 0.00 178.00 175.97 2k2r h ASP 16 N 0.00 0.51 -0.69 1.44 3.32 -1.89 -3.31 116.42 115.80 2k2r h ASP 16 Ca 0.00 -0.84 -0.02 0.00 0.02 0.00 0.00 57.03 56.19 2k2r h ASP 16 Cb 0.31 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 2k2r h ASP 16 CO 0.00 1.72 0.37 0.11 -1.72 0.00 0.00 179.24 179.72 2k2r h LYS 17 N 0.09 0.99 -0.87 3.56 1.57 -1.85 -1.14 116.57 118.92 2k2r h LYS 17 Ca -0.35 -0.12 0.05 0.00 -1.87 0.00 0.00 60.65 58.36 2k2r h LYS 17 Cb 2.07 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 34.13 2k2r h LYS 17 CO 0.15 0.75 0.57 -0.07 -0.57 0.00 0.00 179.45 180.27 2k2r h LEU 18 N 1.00 0.90 -0.27 2.94 3.38 -1.66 0.31 115.31 121.90 2k2r h LEU 18 Ca 0.25 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.23 2k2r h LEU 18 Cb 0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2k2r h LEU 18 CO -0.04 0.60 0.15 -1.13 0.09 0.00 0.00 178.44 178.11 2k2r h ASN 19 N 1.03 0.24 -0.21 -0.43 -1.24 -1.30 -0.43 115.58 113.25 2k2r h ASN 19 Ca 0.36 0.01 -0.12 0.00 0.71 0.00 0.00 56.30 57.25 2k2r h ASN 19 Cb 0.11 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 2k2r h ASN 19 CO -0.12 0.18 -0.28 0.58 -1.29 0.00 0.00 177.43 176.50 2k2r h VAL 20 N 0.32 1.28 -0.46 2.57 2.07 -0.96 -2.56 116.25 118.51 2k2r h VAL 20 Ca 0.11 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.19 2k2r h VAL 20 Cb 0.01 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2k2r h VAL 20 CO -0.06 0.46 0.15 0.58 0.02 0.00 0.00 177.57 178.72 2k2r h VAL 21 N 0.60 1.18 -0.46 2.57 2.07 0.17 -1.00 116.25 121.39 2k2r h VAL 21 Ca 0.07 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 2k2r h VAL 21 Cb 0.79 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 2k2r h VAL 21 CO 0.06 0.23 0.02 0.50 0.02 0.00 0.00 177.57 178.40 2k2r h LYS 22 N 0.66 0.80 -0.00 1.57 3.64 -0.82 -1.37 116.57 121.04 2k2r h LYS 22 Ca 0.16 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2k2r h LYS 22 Cb 0.18 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2k2r h LYS 22 CO -0.01 0.85 0.00 0.87 -2.27 0.00 0.00 179.45 178.89 2k2r h LYS 23 N 0.65 0.00 0.11 1.90 1.57 -0.82 0.37 116.57 120.35 2k2r h LYS 23 Ca 0.13 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.64 2k2r h LYS 23 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2k2r h LYS 23 CO 0.02 0.00 -1.21 1.15 -0.57 0.00 0.00 179.45 178.85 2k2r h THR 24 N 0.00 1.49 -0.05 -0.16 2.02 -0.23 -2.46 112.91 113.52 2k2r h THR 24 Ca 0.00 -2.98 -0.10 0.00 0.77 0.00 0.00 66.41 64.10 2k2r h THR 24 Cb 0.01 2.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.29 2k2r h THR 24 CO -0.00 0.87 -0.43 -0.07 0.37 0.00 0.00 175.52 176.26 2k2r h LEU 25 N 0.09 0.12 -0.82 2.58 3.38 -0.58 -1.83 115.31 118.25 2k2r h LEU 25 Ca -0.13 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 2k2r h LEU 25 Cb 1.92 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.60 2k2r h LEU 25 CO 0.20 0.54 0.31 0.40 0.09 0.00 0.00 178.44 179.97 2k2r h ILE 26 N 0.09 1.26 -0.43 1.22 2.04 -0.89 -1.69 117.51 119.11 2k2r h ILE 26 Ca 0.01 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 2k2r h ILE 26 Cb 0.80 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2k2r h ILE 26 CO 0.06 0.34 0.04 0.74 0.00 0.00 0.00 178.15 179.33 2k2r h THR 27 N 1.14 1.21 0.26 -0.27 2.02 -0.88 0.04 112.91 116.44 2k2r h THR 27 Ca 0.26 -0.83 0.01 0.00 0.77 0.00 0.00 66.41 66.61 2k2r h THR 27 Cb 0.22 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2k2r h THR 27 CO -0.02 0.30 -0.31 0.15 0.37 0.00 0.00 175.52 176.01 2k2r h PHE 28 N 0.64 -0.82 -0.44 3.16 3.57 -0.80 -1.49 116.94 120.76 2k2r h PHE 28 Ca 0.14 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.50 2k2r h PHE 28 Cb 0.34 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 2k2r h PHE 28 CO 0.02 -0.43 -0.29 0.28 -2.23 0.00 0.00 178.31 175.66 2k2r h VAL 29 N -0.61 1.27 -0.25 1.41 2.07 -1.36 -2.39 116.25 116.38 2k2r h VAL 29 Ca -0.00 -1.46 0.07 0.00 0.82 0.00 0.00 66.70 66.13 2k2r h VAL 29 Cb 0.58 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2k2r h VAL 29 CO -0.09 0.50 0.41 -1.13 0.02 0.00 0.00 177.57 177.27 2k2r h ASN 30 N 0.81 0.00 0.04 0.57 -0.73 -0.59 1.62 115.58 117.31 2k2r h ASN 30 Ca 0.09 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.26 2k2r h ASN 30 Cb 0.87 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.46 2k2r h ASN 30 CO 0.08 0.00 -0.02 0.50 -0.37 0.00 0.00 177.43 177.62 2k2r h LYS 31 N 0.00 -0.05 -0.11 6.67 3.11 -0.76 2.35 116.57 127.78 2k2r h LYS 31 Ca 0.12 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.96 2k2r h LYS 31 Cb 0.94 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.17 2k2r h LYS 31 CO -0.00 0.38 0.04 0.45 -2.81 0.00 0.00 179.45 177.51 2k2r h HIS 32 N -0.98 0.14 0.02 1.91 3.86 -0.98 -2.04 115.15 117.08 2k2r h HIS 32 Ca -0.01 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 2k2r h HIS 32 Cb 0.46 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.88 2k2r h HIS 32 CO 0.11 0.12 -0.35 -0.07 0.86 0.00 0.00 177.93 178.61 2k2r h LEU 33 N 0.15 0.08 -1.40 2.43 -0.00 0.23 -3.21 115.31 113.59 2k2r h LEU 33 Ca 0.04 -0.92 0.05 0.00 -0.00 0.00 0.00 57.88 57.05 2k2r h LEU 33 Cb 0.03 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.66 2k2r h LEU 33 CO -0.00 1.15 0.60 -1.13 -0.00 0.00 0.00 178.44 179.06 2k2r h ASN 34 N -0.89 0.00 0.91 -0.43 -0.73 0.45 -0.30 115.58 114.58 2k2r h ASN 34 Ca -0.08 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.05 2k2r h ASN 34 Cb 1.16 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.75 2k2r h ASN 34 CO -0.01 0.00 -0.48 0.50 -0.37 0.00 0.00 177.43 177.08 2k2r h LYS 35 N 0.00 -1.22 0.00 6.67 1.63 -1.39 -0.64 116.57 121.62 2k2r h LYS 35 Ca 0.08 0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 2k2r h LYS 35 Cb 1.28 0.28 0.00 0.00 -0.60 0.00 0.00 32.23 33.19 2k2r h LYS 35 CO -0.00 -0.81 0.00 -0.11 -3.45 0.00 0.00 179.45 175.07 2k2r n LEU 36 N -5.53 0.00 -2.43 5.20 7.94 -0.28 -4.91 117.00 116.99 2k2r n LEU 36 Ca -0.16 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.70 2k2r n LEU 36 Cb 0.51 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.46 2k2r n LEU 36 CO 0.37 0.00 -0.06 -0.46 -1.11 0.00 0.00 177.39 176.13 2k2r n ASN 37 N -0.75 -6.26 0.00 1.96 0.23 -0.25 -5.09 115.26 105.11 2k2r n ASN 37 Ca 0.11 0.55 0.00 0.00 -0.53 0.00 0.00 54.58 54.71 2k2r n ASN 37 Cb 0.05 -4.12 0.00 0.00 -2.08 0.00 0.00 39.78 33.63 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 -0.14 0.00 -3.38 -4.53 4.32 -1.14 -4.94 117.00 107.19 2k2r n LEU 38 Ca 0.06 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.07 2k2r n LEU 38 Cb 0.24 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.01 2k2r n LEU 38 CO 0.34 0.00 0.50 -0.70 -1.22 0.00 0.00 177.39 176.31 2k2r s GLU 39 N 1.43 0.35 0.25 3.23 2.12 -1.26 -4.53 118.70 120.30 2k2r s GLU 39 Ca 0.00 0.83 0.02 0.00 0.36 0.00 0.00 54.97 56.18 2k2r s GLU 39 Cb 0.00 0.49 -0.03 0.00 0.26 0.00 0.00 34.13 34.85 2k2r s GLU 39 CO 0.00 -0.18 0.41 0.54 -0.54 0.00 0.00 175.26 175.49 2k2r s VAL 40 N 2.64 5.21 0.00 3.70 0.11 -1.26 -5.01 120.40 125.79 2k2r s VAL 40 Ca -0.01 -0.68 0.00 0.00 -2.93 0.00 0.00 61.98 58.36 2k2r s VAL 40 Cb -0.08 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 30.94 2k2r s VAL 40 CO -0.17 -0.34 0.00 0.41 -3.33 0.00 0.00 175.10 171.67 2k2r n THR 41 N -1.27 0.00 -3.80 5.04 -1.04 -1.26 -4.97 114.28 106.99 2k2r n THR 41 Ca -0.07 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.66 2k2r n THR 41 Cb 0.56 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.95 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 -0.44 1.95 0.21 -2.82 2.02 -1.26 -4.94 118.70 113.42 2k2r s GLU 42 Ca 0.00 -2.82 -0.09 0.00 0.02 0.00 0.00 54.97 52.08 2k2r s GLU 42 Cb 0.00 -2.91 0.27 0.00 0.10 0.00 0.00 34.13 31.59 2k2r s GLU 42 CO 0.00 -1.25 1.78 1.25 0.02 0.00 0.00 175.26 177.05 2k2r h LEU 43 N 5.82 0.42 -0.12 1.80 7.12 -1.94 0.11 115.31 128.52 2k2r h LEU 43 Ca 0.10 0.05 0.02 0.00 0.13 0.00 0.00 57.88 58.19 2k2r h LEU 43 Cb 0.83 -0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 40.89 2k2r h LEU 43 CO 0.62 0.26 -0.44 -0.33 -0.13 0.00 0.00 178.44 178.41 2k2r h GLU 44 N 0.56 -0.45 0.00 1.25 5.08 -1.90 -0.35 114.58 118.78 2k2r h GLU 44 Ca 0.31 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2k2r h GLU 44 Cb 0.29 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2k2r h GLU 44 CO -0.24 -0.30 0.00 0.25 -1.00 0.00 0.00 179.01 177.72 2k2r n THR 45 N -4.87 0.08 0.35 1.13 -2.24 -1.01 -2.72 114.28 105.00 2k2r n THR 45 Ca -0.05 0.02 0.14 0.00 -2.27 0.00 0.00 64.05 61.89 2k2r n THR 45 Cb 0.30 -0.62 0.39 0.00 -2.10 0.00 0.00 70.33 68.30 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 0.84 -2.03 115.11 114.22 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 -1.07 1.19 -0.95 0.00 0.00 178.83 178.00 2k2r n PHE 47 N -2.79 0.26 0.37 2.96 3.01 -1.10 -3.14 117.46 117.03 2k2r n PHE 47 Ca 0.03 0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.57 2k2r n PHE 47 Cb 0.41 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 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 -1.84 1.75 -0.34 4.37 0.00 -0.76 -1.65 120.51 122.04 2k2r n ALA 48 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2k2r n ALA 48 Cb 0.44 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2k2r n ALA 48 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k2r n ASP 49 N 0.63 0.00 -0.03 0.00 2.03 -1.25 -4.94 116.55 112.99 2k2r n ASP 49 Ca 0.00 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k2r n ASP 49 Cb 0.15 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.55 2k2r n ASP 49 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k2r n GLY 50 N 0.00 0.02 0.14 0.27 0.00 -0.66 -4.71 105.19 100.25 2k2r n GLY 50 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.88 -2.85 116.25 115.19 2k2r h VAL 51 Ca -0.00 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2k2r h VAL 51 Cb 0.32 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2k2r h VAL 51 CO 0.00 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 176.37 2k2r n TYR 52 N -4.52 0.10 0.05 1.57 4.02 -1.26 -2.17 117.16 114.96 2k2r n TYR 52 Ca -0.03 0.05 -0.03 0.00 -0.01 0.00 0.00 57.90 57.87 2k2r n TYR 52 Cb 0.11 -0.58 -0.02 0.00 -0.02 0.00 0.00 39.34 38.83 2k2r n TYR 52 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2k2r h LEU 53 N 0.00 -0.18 -2.65 7.72 5.85 -1.76 -1.74 115.31 122.56 2k2r h LEU 53 Ca 0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2k2r h LEU 53 Cb 0.07 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 2k2r h LEU 53 CO 0.00 0.16 0.07 0.58 -0.34 0.00 0.00 178.44 178.91 2k2r h VAL 54 N -0.78 0.19 -0.01 1.05 2.07 -1.29 -0.95 116.25 116.53 2k2r h VAL 54 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2k2r h VAL 54 Cb 0.16 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2k2r h VAL 54 CO 0.04 0.00 -0.01 0.25 0.02 0.00 0.00 177.57 177.87 2k2r h LEU 55 N 0.00 0.02 -1.29 2.57 6.46 -1.41 -2.81 115.31 118.84 2k2r h LEU 55 Ca 0.01 -0.45 0.13 0.00 -0.12 0.00 0.00 57.88 57.46 2k2r h LEU 55 Cb 0.15 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.01 2k2r h LEU 55 CO -0.00 0.46 0.57 0.17 -0.62 0.00 0.00 178.44 179.02 2k2r h LEU 56 N -0.42 0.67 0.40 2.25 8.10 -0.23 -2.08 115.31 123.99 2k2r h LEU 56 Ca 0.00 0.04 -0.02 0.00 0.11 0.00 0.00 57.88 58.01 2k2r h LEU 56 Cb 0.46 -0.10 -0.00 0.00 -0.44 0.00 0.00 40.66 40.58 2k2r h LEU 56 CO 0.00 0.35 -0.21 0.24 -4.11 0.00 0.00 178.44 174.71 2k2r h MET 57 N 0.71 -0.55 -0.35 0.17 2.86 -1.29 -1.11 114.93 115.37 2k2r h MET 57 Ca 0.43 0.04 0.06 0.00 -2.06 0.00 0.00 59.70 58.17 2k2r h MET 57 Cb 0.66 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 32.39 2k2r h MET 57 CO -0.19 -0.37 -0.00 0.78 1.06 0.00 0.00 176.91 178.19 2k2r h GLY 58 N -0.57 0.34 2.00 8.32 0.00 -1.14 0.56 103.07 112.58 2k2r h GLY 58 Ca -0.05 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2k2r h GLY 58 CO 0.07 -0.08 0.00 1.41 0.00 0.00 0.00 176.54 177.94 2k2r h LEU 59 N 0.10 0.00 0.22 3.11 3.38 -1.30 0.01 115.31 120.83 2k2r h LEU 59 Ca 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2k2r h LEU 59 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2k2r h LEU 59 CO -0.28 0.00 -0.10 0.25 0.09 0.00 0.00 178.44 178.39 2k2r h LEU 60 N 0.00 -0.25 -0.17 1.67 6.46 0.14 -3.18 115.31 119.99 2k2r h LEU 60 Ca 0.00 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.52 2k2r h LEU 60 Cb 0.08 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 2k2r h LEU 60 CO 0.00 0.11 0.03 -0.08 -0.62 0.00 0.00 178.44 177.88 2k2r h GLU 61 N -0.64 0.28 0.00 1.25 4.81 -0.88 -3.48 114.58 115.91 2k2r h GLU 61 Ca -0.03 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2k2r h GLU 61 Cb 0.46 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2k2r h GLU 61 CO 0.05 0.44 0.00 0.41 -0.73 0.00 0.00 179.01 179.18 2k2r n GLY 62 N -0.45 0.81 3.59 1.92 0.00 -0.13 -5.14 105.19 105.80 2k2r n GLY 62 Ca -0.05 -0.60 -0.04 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.09 -0.14 0.25 1.61 5.04 -1.24 -5.02 117.35 117.77 2k2r s TYR 63 Ca 0.00 0.08 -0.30 0.00 -2.44 0.00 0.00 57.07 54.41 2k2r s TYR 63 Cb 0.00 0.52 -0.10 0.00 0.35 0.00 0.00 41.96 42.73 2k2r s TYR 63 CO 0.00 -0.24 1.41 -0.06 -1.34 0.00 0.00 175.55 175.32 2k2r s PHE 64 N -2.48 3.05 -0.48 4.97 0.08 -1.26 -4.36 117.98 117.50 2k2r s PHE 64 Ca 0.09 1.09 -0.03 0.00 0.12 0.00 0.00 56.93 58.21 2k2r s PHE 64 Cb -0.01 -3.78 0.13 0.00 -0.57 0.00 0.00 43.02 38.79 2k2r s PHE 64 CO -0.05 -2.48 0.28 0.08 -0.10 0.00 0.00 175.22 172.95 2k2r s VAL 65 N -0.12 3.43 0.58 -0.44 1.01 -1.26 -5.03 120.40 118.57 2k2r s VAL 65 Ca 0.58 -2.37 -0.20 0.00 0.00 0.00 0.00 61.98 59.99 2k2r s VAL 65 Cb -0.41 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2k2r s VAL 65 CO 0.44 -0.76 1.29 -2.65 0.00 0.00 0.00 175.10 173.43 2k2r n PRO 66 N 4.21 1.44 0.13 2.72 -0.02 -1.26 -4.89 135.00 137.33 2k2r n PRO 66 Ca 0.01 0.54 0.01 0.00 -2.02 0.00 0.00 63.50 62.04 2k2r n PRO 66 Cb 0.40 -2.51 0.34 0.00 -0.02 0.00 0.00 33.50 31.71 2k2r n PRO 66 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2k2r h LEU 67 N 1.08 0.19 -1.48 2.45 4.07 -1.99 -1.85 115.31 117.77 2k2r h LEU 67 Ca -0.50 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.40 2k2r h LEU 67 Cb 1.32 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 43.01 2k2r h LEU 67 CO 0.55 0.44 0.00 0.00 -1.08 0.00 0.00 178.44 178.35 2k2r n HIS 68 N -4.18 0.55 0.09 1.13 1.44 -1.26 -3.93 115.22 109.06 2k2r n HIS 68 Ca -0.01 -0.27 -0.06 0.00 -2.01 0.00 0.00 57.72 55.37 2k2r n HIS 68 Cb 0.34 -0.01 0.01 0.00 0.12 0.00 0.00 29.99 30.45 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 2.32 0.09 0.00 4.39 0.87 -1.68 -3.45 113.55 116.08 2k2r h SER 69 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2k2r h SER 69 Cb 0.55 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2k2r h SER 69 CO 0.01 0.89 0.00 2.22 -0.53 0.00 0.00 176.83 179.41 2k2r n PHE 70 N -3.59 0.00 -0.22 2.24 -1.74 -1.25 -5.06 117.46 107.84 2k2r n PHE 70 Ca -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.87 2k2r n PHE 70 Cb 0.80 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.80 2k2r n PHE 70 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2k2r n PHE 71 N 0.00 -1.23 -2.25 2.97 7.35 -1.26 -5.03 117.46 118.01 2k2r n PHE 71 Ca 0.00 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.42 2k2r n PHE 71 Cb 0.00 0.00 0.04 0.00 0.35 0.00 0.00 39.48 39.87 2k2r n PHE 71 CO 0.00 0.00 0.00 -0.48 -0.76 0.00 0.00 176.76 175.52 2k2r s LEU 72 N 0.00 3.07 -0.11 -2.13 2.34 -1.26 -4.83 118.68 115.76 2k2r s LEU 72 Ca 0.00 0.75 -0.29 0.00 0.06 0.00 0.00 54.13 54.64 2k2r s LEU 72 Cb 0.00 -3.52 -0.05 0.00 -0.56 0.00 0.00 46.19 42.06 2k2r s LEU 72 CO 0.00 -1.24 1.74 -0.89 -1.06 0.00 0.00 176.35 174.90 2k2r s THR 73 N -3.12 3.49 0.23 5.48 2.01 -1.26 -4.91 115.64 117.55 2k2r s THR 73 Ca 0.56 0.57 -0.31 0.00 0.31 0.00 0.00 61.69 62.82 2k2r s THR 73 Cb -0.11 -3.44 -0.14 0.00 0.01 0.00 0.00 72.50 68.83 2k2r s THR 73 CO 0.46 -0.13 1.28 -2.65 -0.69 0.00 0.00 174.62 172.89 2k2r n PRO 74 N 7.52 1.69 -0.03 4.92 -0.02 -1.26 -4.89 135.00 142.92 2k2r n PRO 74 Ca 0.19 0.60 -0.04 0.00 -2.02 0.00 0.00 63.50 62.23 2k2r n PRO 74 Cb 0.44 -2.17 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 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 1.91 3.10 -2.35 2.55 -0.08 -1.26 -4.96 116.55 115.45 2k2r n ASP 75 Ca 0.12 -0.01 -0.05 0.00 -1.51 0.00 0.00 54.79 53.33 2k2r n ASP 75 Cb 0.30 -0.09 -0.01 0.00 2.34 0.00 0.00 41.12 43.65 2k2r n ASP 75 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2k2r n SER 76 N -2.74 2.00 0.35 1.67 3.41 -1.26 -5.03 113.62 112.02 2k2r n SER 76 Ca -0.09 -1.39 -0.15 0.00 -0.26 0.00 0.00 58.87 56.98 2k2r n SER 76 Cb 0.59 0.09 -0.08 0.00 -0.26 0.00 0.00 64.21 64.55 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 1.06 -0.85 -1.00 7.33 3.57 -1.99 -2.37 116.94 122.69 2k2r h PHE 77 Ca -0.07 -0.02 0.25 0.00 3.53 0.00 0.00 57.97 61.66 2k2r h PHE 77 Cb 0.22 0.28 -0.13 0.00 2.79 0.00 0.00 35.95 39.12 2k2r h PHE 77 CO 0.00 -0.50 0.59 1.49 -2.23 0.00 0.00 178.31 177.65 2k2r h GLU 78 N -1.17 0.55 -0.17 1.11 4.81 -1.98 0.58 114.58 118.31 2k2r h GLU 78 Ca -0.09 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 2k2r h GLU 78 Cb 0.73 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2k2r h GLU 78 CO 0.15 0.36 -0.22 1.96 -0.73 0.00 0.00 179.01 180.54 2k2r h GLN 79 N 0.57 0.30 0.01 1.92 4.20 -1.93 -1.19 115.11 118.99 2k2r h GLN 79 Ca 0.65 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 59.19 2k2r h GLN 79 Cb 1.23 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.99 2k2r h GLN 79 CO -0.48 0.51 -0.29 0.87 -0.67 0.00 0.00 178.83 178.77 2k2r h LYS 80 N 0.28 0.18 -0.27 1.46 1.57 0.57 -2.13 116.57 118.22 2k2r h LYS 80 Ca 0.05 -0.21 0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2k2r h LYS 80 Cb 0.54 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2k2r h LYS 80 CO 0.04 0.96 0.28 0.28 -0.57 0.00 0.00 179.45 180.43 2k2r h VAL 81 N -0.51 0.49 0.20 0.50 2.07 -0.63 -0.46 116.25 117.91 2k2r h VAL 81 Ca -0.04 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.14 2k2r h VAL 81 Cb 1.07 0.78 0.02 0.00 -1.52 0.00 0.00 31.29 31.63 2k2r h VAL 81 CO 0.06 0.00 -1.61 0.25 0.02 0.00 0.00 177.57 176.28 2k2r h LEU 82 N 0.00 0.66 -1.74 2.57 5.85 -1.12 -1.21 115.31 120.33 2k2r h LEU 82 Ca 0.13 -0.85 -0.03 0.00 0.84 0.00 0.00 57.88 57.96 2k2r h LEU 82 Cb 0.68 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 2k2r h LEU 82 CO -0.00 1.70 -0.14 -1.13 -0.34 0.00 0.00 178.44 178.53 2k2r h ASN 83 N 0.12 0.00 0.25 1.25 -0.73 -0.43 -0.78 115.58 115.25 2k2r h ASN 83 Ca -0.29 0.00 -0.34 0.00 1.87 0.00 0.00 56.30 57.53 2k2r h ASN 83 Cb 2.11 0.00 0.01 0.00 0.27 0.00 0.00 38.32 40.71 2k2r h ASN 83 CO 0.21 0.14 -1.71 0.58 -0.37 0.00 0.00 177.43 176.29 2k2r h VAL 84 N 0.00 0.98 0.00 2.57 2.07 -1.29 -2.88 116.25 117.70 2k2r h VAL 84 Ca -0.00 -2.57 -0.03 0.00 0.82 0.00 0.00 66.70 64.92 2k2r h VAL 84 Cb 0.26 2.77 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 2k2r h VAL 84 CO 0.02 0.85 -0.12 -1.28 0.02 0.00 0.00 177.57 177.05 2k2r h SER 85 N 0.10 0.00 0.20 0.57 0.87 -0.89 0.10 113.55 114.49 2k2r h SER 85 Ca -0.32 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 2k2r h SER 85 Cb 2.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.05 2k2r h SER 85 CO 0.18 0.12 -0.10 0.15 -0.53 0.00 0.00 176.83 176.66 2k2r h PHE 86 N 0.00 -0.25 -0.98 2.24 3.57 -1.19 0.19 116.94 120.52 2k2r h PHE 86 Ca -0.00 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.62 2k2r h PHE 86 Cb 0.28 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.02 2k2r h PHE 86 CO 0.00 0.11 0.62 0.00 -2.23 0.00 0.00 178.31 176.81 2k2r h ALA 87 N -0.56 1.59 0.00 2.41 0.00 -1.28 1.16 119.26 122.58 2k2r h ALA 87 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k2r h ALA 87 Cb 0.47 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2k2r h ALA 87 CO 0.04 0.16 0.00 0.35 0.00 0.00 0.00 179.25 179.80 2k2r h PHE 88 N 0.93 0.00 0.04 0.00 3.57 -0.91 -1.82 116.94 118.74 2k2r h PHE 88 Ca 0.49 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.99 2k2r h PHE 88 Cb 0.56 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2k2r h PHE 88 CO -0.00 0.00 -0.02 0.93 -2.23 0.00 0.00 178.31 176.99 2k2r h GLU 89 N 0.00 -0.05 0.00 1.11 4.39 0.35 -0.63 114.58 119.75 2k2r h GLU 89 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k2r h GLU 89 Cb 0.40 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2k2r h GLU 89 CO 0.00 0.58 0.00 -0.07 -1.16 0.00 0.00 179.01 178.36 2k2r h LEU 90 N -0.92 0.00 0.00 1.33 3.38 -1.30 -2.29 115.31 115.51 2k2r h LEU 90 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2k2r h LEU 90 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2k2r h LEU 90 CO 0.01 0.00 -0.25 0.24 0.09 0.00 0.00 178.44 178.53 2k2r h MET 91 N 0.00 0.00 -0.58 1.13 2.86 -1.26 0.21 114.93 117.29 2k2r h MET 91 Ca 0.00 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.81 2k2r h MET 91 Cb 0.22 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 2k2r h MET 91 CO 0.00 0.47 0.66 0.37 1.06 0.00 0.00 176.91 179.47 2k2r h GLN 92 N -1.00 0.00 0.11 1.72 4.15 -0.89 0.81 115.11 120.01 2k2r h GLN 92 Ca -0.05 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.10 2k2r h GLN 92 Cb 0.59 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 2k2r h GLN 92 CO -0.03 0.00 -1.38 0.22 -1.93 0.00 0.00 178.83 175.71 2k2r h ASP 93 N 0.00 0.35 0.00 -0.69 1.82 -1.45 -3.21 116.42 113.25 2k2r h ASP 93 Ca 0.27 -0.84 0.00 0.00 -0.39 0.00 0.00 57.03 56.07 2k2r h ASP 93 Cb 1.60 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.49 2k2r h ASP 93 CO -0.00 1.60 0.06 0.61 -1.61 0.00 0.00 179.24 179.90 2k2r n GLY 94 N 1.73 -0.38 0.00 -0.78 0.00 0.26 -4.86 105.19 101.17 2k2r n GLY 94 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.37 1.62 5.25 -0.02 0.00 -0.06 -5.04 105.19 105.57 2k2r n GLY 95 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2k2r n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k2r n LEU 96 N 0.00 0.00 0.00 0.99 7.99 -1.26 -4.63 117.00 120.09 2k2r n LEU 96 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2k2r n LEU 96 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2k2r n LEU 96 CO 0.00 0.00 0.00 -1.84 -1.51 0.00 0.00 177.39 174.04 2k2r n GLU 97 N 0.00 0.00 -5.08 3.23 0.28 -1.26 -5.11 120.64 112.69 2k2r n GLU 97 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.71 2k2r n GLU 97 Cb 0.00 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 32.71 2k2r n GLU 97 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2k2r s LYS 98 N 0.00 2.34 0.48 3.44 1.02 -1.26 -5.01 119.74 120.75 2k2r s LYS 98 Ca 0.00 -0.78 -0.23 0.00 0.02 0.00 0.00 55.97 54.98 2k2r s LYS 98 Cb 0.00 -1.95 -0.08 0.00 -0.52 0.00 0.00 37.83 35.28 2k2r s LYS 98 CO 0.00 0.28 1.09 -2.30 -0.92 0.00 0.00 175.35 173.51 2k2r n PRO 99 N 3.15 1.42 0.05 -1.68 -0.02 -1.26 -4.95 135.00 131.71 2k2r n PRO 99 Ca -0.18 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2k2r n PRO 99 Cb 0.52 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2k2r n PRO 99 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2k2r n LYS 100 N -0.27 0.00 0.00 -0.52 0.00 -1.26 -5.08 118.16 111.03 2k2r n LYS 100 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 2k2r n LYS 100 Cb 0.42 -0.42 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2k2r n LYS 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2k2r n PRO 101 N -3.42 2.54 -3.98 -1.58 -0.04 -1.26 -5.12 135.00 122.14 2k2r n PRO 101 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 2k2r n PRO 101 Cb 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.34 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 1.09 0.29 0.63 0.54 0.52 -1.26 -4.99 118.95 115.76 2k2r s ARG 102 Ca 0.00 -0.47 0.18 0.00 -0.52 0.00 0.00 55.73 54.92 2k2r s ARG 102 Cb 0.00 -0.02 0.69 0.00 0.52 0.00 0.00 34.95 36.14 2k2r s ARG 102 CO 0.00 -0.01 1.27 -1.35 0.02 0.00 0.00 175.30 175.23 2k2r h PRO 103 N 5.05 0.00 0.00 3.54 0.11 -1.92 0.66 132.00 139.44 2k2r h PRO 103 Ca -0.31 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 2k2r h PRO 103 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k2r h PRO 103 CO 0.44 0.00 -0.00 0.93 -0.21 0.00 0.00 178.00 179.15 2k2r h GLU 104 N 0.00 0.00 -1.04 1.05 5.08 -1.94 -2.80 114.58 114.93 2k2r h GLU 104 Ca 0.29 0.00 0.30 0.00 -1.00 0.00 0.00 59.36 58.95 2k2r h GLU 104 Cb 2.40 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.61 2k2r h GLU 104 CO -0.00 0.18 1.20 -0.44 -1.00 0.00 0.00 179.01 178.95 2k2r h ASP 105 N -1.00 0.00 0.00 1.42 5.19 -0.05 1.38 116.42 123.36 2k2r h ASP 105 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k2r h ASP 105 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 2k2r h ASP 105 CO -0.00 0.00 -0.03 0.40 -3.12 0.00 0.00 179.24 176.49 2k2r h ILE 106 N 0.00 0.00 -1.36 0.35 1.08 -1.52 -3.31 117.51 112.74 2k2r h ILE 106 Ca 0.49 -0.10 0.41 0.00 -0.39 0.00 0.00 64.86 65.27 2k2r h ILE 106 Cb 2.89 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 36.54 2k2r h ILE 106 CO -0.01 0.00 0.93 0.58 -0.69 0.00 0.00 178.15 178.96 2k2r h VAL 107 N -0.10 0.24 0.00 1.67 2.07 -0.65 0.52 116.25 119.99 2k2r h VAL 107 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2k2r h VAL 107 Cb 0.03 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 2k2r h VAL 107 CO 0.00 0.02 0.00 -3.20 0.02 0.00 0.00 177.57 174.41 2k2r n ASN 108 N -4.42 0.00 0.00 0.57 4.05 0.45 -4.44 115.26 111.48 2k2r n ASN 108 Ca 0.34 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.37 2k2r n ASN 108 Cb 1.40 0.00 0.00 0.00 1.23 0.00 0.00 39.78 42.41 2k2r n ASN 108 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k2r s ASP 110 N -1.52 3.79 -0.24 0.00 1.01 -1.24 -4.73 116.67 113.73 2k2r s ASP 110 Ca 0.00 2.18 -0.16 0.00 0.71 0.00 0.00 52.55 55.29 2k2r s ASP 110 Cb 0.00 -2.57 -0.10 0.00 1.01 0.00 0.00 42.92 41.26 2k2r s ASP 110 CO 0.00 -2.53 -0.31 0.18 0.21 0.00 0.00 175.17 172.72 2k2r n LEU 111 N -3.44 1.94 0.00 1.23 4.77 -1.26 -4.29 117.00 115.96 2k2r n LEU 111 Ca 0.12 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2k2r n LEU 111 Cb 0.51 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2k2r n LEU 111 CO 0.49 0.25 0.18 1.17 -1.33 0.00 0.00 177.39 178.15 2k2r n LYS 112 N -4.34 0.00 0.32 3.23 4.81 -1.26 -0.33 118.16 120.59 2k2r n LYS 112 Ca -0.38 0.36 -0.18 0.00 -0.87 0.00 0.00 58.31 57.23 2k2r n LYS 112 Cb 0.73 -0.63 -0.09 0.00 0.02 0.00 0.00 35.03 35.06 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 -1.27 -0.98 3.14 4.64 -1.86 -2.59 113.55 114.63 2k2r h SER 113 Ca 0.00 0.09 0.33 0.00 -0.47 0.00 0.00 61.79 61.75 2k2r h SER 113 Cb 0.00 0.41 -0.18 0.00 -0.31 0.00 0.00 62.40 62.32 2k2r h SER 113 CO 0.00 -0.66 0.30 0.00 -0.87 0.00 0.00 176.83 175.60 2k2r h THR 114 N -1.02 0.06 -0.41 2.95 1.03 -1.60 0.94 112.91 114.86 2k2r h THR 114 Ca -0.07 -0.02 -0.01 0.00 -0.01 0.00 0.00 66.41 66.30 2k2r h THR 114 Cb 0.86 0.01 -0.02 0.00 -1.07 0.00 0.00 68.15 67.93 2k2r h THR 114 CO -0.01 0.01 0.20 -0.07 -0.01 0.00 0.00 175.52 175.63 2k2r h LEU 115 N 0.05 0.53 -0.10 0.00 3.38 -0.29 -0.97 115.31 117.92 2k2r h LEU 115 Ca 0.71 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.59 2k2r h LEU 115 Cb 1.67 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.25 2k2r h LEU 115 CO -0.81 0.50 -0.13 -0.09 0.09 0.00 0.00 178.44 178.01 2k2r h ARG 116 N 0.52 -0.16 -0.22 1.13 2.43 0.11 0.36 114.38 118.55 2k2r h ARG 116 Ca 0.14 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.18 2k2r h ARG 116 Cb 0.11 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2k2r h ARG 116 CO -0.02 -0.11 -0.43 0.28 -1.51 0.00 0.00 179.97 178.19 2k2r h VAL 117 N -0.17 1.32 -0.26 0.20 2.07 -1.38 -2.40 116.25 115.63 2k2r h VAL 117 Ca 0.08 -1.64 -0.10 0.00 0.82 0.00 0.00 66.70 65.85 2k2r h VAL 117 Cb 0.28 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 2k2r h VAL 117 CO -0.20 0.52 -0.27 -0.07 0.02 0.00 0.00 177.57 177.57 2k2r h LEU 118 N 0.37 0.53 0.20 2.57 3.38 -1.09 -2.46 115.31 118.81 2k2r h LEU 118 Ca 0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2k2r h LEU 118 Cb 1.03 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2k2r h LEU 118 CO 0.09 0.78 -0.10 0.22 0.09 0.00 0.00 178.44 179.53 2k2r h TYR 119 N 0.45 -0.25 -0.99 1.13 3.20 -0.90 -1.11 116.97 118.49 2k2r h TYR 119 Ca 0.06 -0.01 0.31 0.00 3.14 0.00 0.00 58.73 62.24 2k2r h TYR 119 Cb 0.71 0.08 -0.15 0.00 1.54 0.00 0.00 36.73 38.91 2k2r h TYR 119 CO 0.02 -0.14 0.53 -0.97 -1.64 0.00 0.00 178.16 175.97 2k2r h ASN 120 N -0.30 0.46 0.30 -2.11 -0.73 -1.01 -0.55 115.58 111.64 2k2r h ASN 120 Ca -0.03 0.19 -0.01 0.00 1.87 0.00 0.00 56.30 58.32 2k2r h ASN 120 Cb 0.23 0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.97 2k2r h ASN 120 CO 0.05 -0.13 -0.14 -0.07 -0.37 0.00 0.00 177.43 176.76 2k2r h LEU 121 N 0.32 -0.34 -1.60 0.34 4.07 -0.84 -2.85 115.31 114.41 2k2r h LEU 121 Ca 0.71 0.01 0.47 0.00 0.08 0.00 0.00 57.88 59.15 2k2r h LEU 121 Cb 1.59 0.09 -0.06 0.00 1.08 0.00 0.00 40.66 43.36 2k2r h LEU 121 CO -0.61 -0.10 1.35 0.33 -1.08 0.00 0.00 178.44 178.34 2k2r n PHE 122 N -3.90 0.00 0.04 1.13 7.35 -0.53 0.13 117.46 121.68 2k2r n PHE 122 Ca -0.05 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.52 2k2r n PHE 122 Cb 0.16 -0.40 -0.09 0.00 0.35 0.00 0.00 39.48 39.50 2k2r n PHE 122 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 2k2r h THR 123 N 0.00 1.09 0.00 -2.13 2.02 -1.00 -0.90 112.91 111.98 2k2r h THR 123 Ca 0.76 -1.14 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 2k2r h THR 123 Cb 3.46 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 71.63 2k2r h THR 123 CO -0.01 0.26 -0.18 0.11 0.37 0.00 0.00 175.52 176.07 2k2r h LYS 124 N -0.72 0.00 0.00 6.66 1.57 0.13 -3.31 116.57 120.91 2k2r h LYS 124 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2k2r h LYS 124 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2k2r h LYS 124 CO 0.03 0.18 -0.78 0.66 -0.57 0.00 0.00 179.45 178.96 2k2r n TYR 125 N -3.20 0.00 -0.53 -1.35 4.02 -0.23 -4.50 117.16 111.37 2k2r n TYR 125 Ca 0.02 0.00 0.45 0.00 -0.01 0.00 0.00 57.90 58.36 2k2r n TYR 125 Cb 0.52 -0.05 0.74 0.00 -0.02 0.00 0.00 39.34 40.53 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 0.00 0.00 -0.72 2.43 -1.24 2.89 114.38 117.74 2k2r h ARG 126 Ca 0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2k2r h ARG 126 Cb 0.36 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2k2r h ARG 126 CO 0.00 0.00 -1.05 -0.91 -1.51 0.00 0.00 179.97 176.50 2k2r h ASN 127 N 0.00 0.00 -3.28 -3.80 -0.26 -1.83 -3.45 115.58 102.97 2k2r h ASN 127 Ca 0.77 0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 55.94 2k2r h ASN 127 Cb 3.28 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 40.48 2k2r h ASN 127 CO -0.01 0.27 -0.06 -0.69 -1.06 0.00 0.00 177.43 175.88 2k2r s VAL 128 N -3.15 4.98 -2.00 2.81 1.01 0.97 -5.24 120.40 119.78 2k2r s VAL 128 Ca -0.01 1.15 0.19 0.00 0.00 0.00 0.00 61.98 63.31 2k2r s VAL 128 Cb 0.09 -3.89 0.54 0.00 0.00 0.00 0.00 36.38 33.13 2k2r s VAL 128 CO 0.79 0.42 1.54 -0.62 0.00 0.00 0.00 175.10 177.22