#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mjp s ILE 11 N 0.00 4.40 0.21 0.58 1.01 -0.49 -4.76 121.20 122.16 2mjp s ILE 11 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 60.65 60.37 2mjp s ILE 11 Cb 0.00 -2.94 -0.07 0.00 0.01 0.00 0.00 42.46 39.46 2mjp s ILE 11 CO 0.00 0.50 0.54 -0.31 0.00 0.00 0.00 174.94 175.67 2mjp s TYR 12 N 0.13 3.45 -0.33 3.97 2.02 -0.73 0.76 117.35 126.61 2mjp s TYR 12 Ca 0.02 0.88 0.00 0.00 -0.37 0.00 0.00 57.07 57.60 2mjp s TYR 12 Cb -0.13 -2.26 0.08 0.00 -0.40 0.00 0.00 41.96 39.25 2mjp s TYR 12 CO 0.02 0.30 0.05 0.12 -1.57 0.00 0.00 175.55 174.46 2mjp s PHE 13 N -1.76 3.48 -1.06 2.71 2.19 -0.43 0.50 117.98 123.61 2mjp s PHE 13 Ca 0.46 -2.38 -0.23 0.00 0.33 0.00 0.00 56.93 55.10 2mjp s PHE 13 Cb -0.12 -2.58 -0.04 0.00 -1.31 0.00 0.00 43.02 38.98 2mjp s PHE 13 CO 0.21 -0.90 1.85 0.00 1.83 0.00 0.00 175.22 178.22 2mjp s ALA 14 N 1.11 2.02 0.01 11.12 0.00 -0.53 -1.84 121.76 133.65 2mjp s ALA 14 Ca 0.02 -1.97 -0.16 0.00 0.00 0.00 0.00 51.96 49.84 2mjp s ALA 14 Cb -0.20 -4.60 0.03 0.00 0.00 0.00 0.00 23.12 18.34 2mjp s ALA 14 CO -0.04 -4.64 0.35 -0.08 0.00 0.00 0.00 175.76 171.35 2mjp s THR 15 N 9.11 0.06 -0.24 0.00 -1.32 -1.12 -4.77 115.64 117.37 2mjp s THR 15 Ca 0.65 -0.51 0.22 0.00 -1.21 0.00 0.00 61.69 60.84 2mjp s THR 15 Cb -0.03 -0.81 -0.09 0.00 -1.51 0.00 0.00 72.50 70.06 2mjp s THR 15 CO 0.04 -0.28 0.92 0.61 -2.21 0.00 0.00 174.62 173.70 2mjp n GLY 16 N 0.86 -1.33 3.68 6.08 0.00 -1.26 -4.50 105.19 108.72 2mjp n GLY 16 Ca -0.20 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 2mjp n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2mjp s ASN 17 N -4.97 6.83 0.32 1.61 3.04 -1.26 -4.94 114.94 115.56 2mjp s ASN 17 Ca -0.02 1.01 0.21 0.00 0.04 0.00 0.00 52.86 54.10 2mjp s ASN 17 Cb 0.11 -2.39 0.16 0.00 -1.54 0.00 0.00 41.25 37.59 2mjp s ASN 17 CO 0.82 -0.27 1.35 1.55 -3.04 0.00 0.00 177.10 177.51 2mjp h PRO 18 N 7.26 0.00 0.00 0.43 0.14 -2.01 -3.18 132.00 134.65 2mjp h PRO 18 Ca -0.33 0.00 -0.02 0.00 0.14 0.00 0.00 66.00 65.79 2mjp h PRO 18 Cb 1.15 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.29 2mjp h PRO 18 CO 0.79 0.08 -0.10 -0.91 0.14 0.00 0.00 178.00 178.01 2mjp h ASN 19 N 0.00 0.00 -0.44 1.44 2.35 -1.98 -1.92 115.58 115.03 2mjp h ASN 19 Ca -0.01 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.61 2mjp h ASN 19 Cb 1.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 2mjp h ASN 19 CO 0.01 0.10 -0.22 0.11 -1.65 0.00 0.00 177.43 175.77 2mjp h LYS 20 N 0.00 0.93 0.00 0.81 1.57 -1.97 0.44 116.57 118.35 2mjp h LYS 20 Ca -0.00 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2mjp h LYS 20 Cb 0.46 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2mjp h LYS 20 CO 0.01 1.07 -0.01 0.44 -0.57 0.00 0.00 179.45 180.39 2mjp n ILE 21 N -4.16 0.07 0.01 1.86 -5.35 -0.80 -1.21 119.36 109.79 2mjp n ILE 21 Ca -0.01 -0.04 -0.15 0.00 -0.27 0.00 0.00 62.75 62.29 2mjp n ILE 21 Cb 0.46 -0.49 -0.14 0.00 -1.74 0.00 0.00 39.64 37.72 2mjp n ILE 21 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 2mjp h LYS 22 N 0.00 0.15 -0.08 6.28 6.56 -0.83 -2.87 116.57 125.78 2mjp h LYS 22 Ca 0.00 -0.26 -0.06 0.00 -1.06 0.00 0.00 60.65 59.27 2mjp h LYS 22 Cb 0.53 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.29 2mjp h LYS 22 CO 0.00 0.91 -0.19 1.49 -2.06 0.00 0.00 179.45 179.59 2mjp h GLU 23 N 0.04 0.28 -0.33 3.15 4.22 0.03 -3.07 114.58 118.89 2mjp h GLU 23 Ca -0.31 -0.19 0.00 0.00 0.08 0.00 0.00 59.36 58.94 2mjp h GLU 23 Cb 2.02 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.27 2mjp h GLU 23 CO 0.10 0.79 0.22 0.00 -2.18 0.00 0.00 179.01 177.94 2mjp h ALA 24 N 0.49 0.42 0.00 2.92 0.00 -1.29 -2.67 119.26 119.13 2mjp h ALA 24 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2mjp h ALA 24 Cb 0.79 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2mjp h ALA 24 CO 0.04 -0.12 -0.16 -0.91 0.00 0.00 0.00 179.25 178.10 2mjp h ASN 25 N 0.45 0.00 0.47 0.00 -0.26 -1.59 -1.63 115.58 113.02 2mjp h ASN 25 Ca 0.12 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.84 2mjp h ASN 25 Cb -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.22 2mjp h ASN 25 CO -0.03 0.16 -0.23 0.40 -1.06 0.00 0.00 177.43 176.67 2mjp h ILE 26 N 0.00 0.00 -0.73 2.81 1.08 -1.38 -1.64 117.51 117.66 2mjp h ILE 26 Ca -0.00 -0.12 0.21 0.00 -0.39 0.00 0.00 64.86 64.56 2mjp h ILE 26 Cb 0.42 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.14 2mjp h ILE 26 CO 0.02 0.00 0.61 0.40 -0.69 0.00 0.00 178.15 178.49 2mjp h ILE 27 N -0.75 0.45 -0.00 -0.67 2.04 -1.37 1.08 117.51 118.28 2mjp h ILE 27 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2mjp h ILE 27 Cb 0.49 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2mjp h ILE 27 CO 0.11 0.00 -0.03 0.18 0.00 0.00 0.00 178.15 178.40 2mjp n LEU 28 N -3.99 0.13 0.00 1.44 7.99 -0.63 -4.59 117.00 117.35 2mjp n LEU 28 Ca 0.15 0.19 0.00 0.00 -0.01 0.00 0.00 56.01 56.33 2mjp n LEU 28 Cb 0.87 -0.24 0.00 0.00 -0.11 0.00 0.00 43.42 43.95 2mjp n LEU 28 CO 0.34 0.02 0.03 0.29 -1.51 0.00 0.00 177.39 176.56 2mjp n LYS 29 N -1.17 0.00 0.03 3.23 5.02 0.37 -2.11 118.16 123.53 2mjp n LYS 29 Ca 0.15 0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.38 2mjp n LYS 29 Cb 0.24 -0.08 -0.04 0.00 -0.02 0.00 0.00 35.03 35.13 2mjp n LYS 29 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2mjp h ASP 30 N 0.00 -0.79 -2.16 4.39 3.45 -1.83 -3.45 116.42 116.03 2mjp h ASP 30 Ca 0.00 0.12 -0.61 0.00 0.43 0.00 0.00 57.03 56.97 2mjp h ASP 30 Cb 0.00 0.33 0.15 0.00 -0.56 0.00 0.00 39.33 39.26 2mjp h ASP 30 CO 0.00 -0.32 -0.60 0.18 -1.57 0.00 0.00 179.24 176.93 2mjp n LEU 31 N -5.38 -0.97 -0.45 1.55 4.32 -0.90 -4.86 117.00 110.31 2mjp n LEU 31 Ca -0.04 0.86 0.11 0.00 -0.02 0.00 0.00 56.01 56.92 2mjp n LEU 31 Cb 0.29 -1.04 0.42 0.00 -1.62 0.00 0.00 43.42 41.48 2mjp n LEU 31 CO 0.20 -3.37 0.80 0.29 -1.22 0.00 0.00 177.39 174.08 2mjp n LYS 32 N 0.80 1.59 -0.02 3.23 4.01 -1.26 -2.92 118.16 123.60 2mjp n LYS 32 Ca 0.11 -0.89 0.05 0.00 -0.51 0.00 0.00 58.31 57.08 2mjp n LYS 32 Cb 0.40 -1.39 0.05 0.00 -0.51 0.00 0.00 35.03 33.59 2mjp n LYS 32 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2mjp n ASP 33 N 0.11 1.94 0.00 4.39 5.75 -1.26 -4.84 116.55 122.64 2mjp n ASP 33 Ca 0.16 -1.48 0.00 0.00 -0.01 0.00 0.00 54.79 53.46 2mjp n ASP 33 Cb 0.28 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 2mjp n ASP 33 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2mjp n VAL 34 N 0.56 0.00 -1.51 2.12 0.24 -1.15 -4.49 118.33 114.11 2mjp n VAL 34 Ca 0.06 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.96 2mjp n VAL 34 Cb 0.27 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.55 2mjp n VAL 34 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2mjp n GLU 35 N -1.43 0.61 -4.53 7.34 4.07 -1.26 -4.80 120.64 120.63 2mjp n GLU 35 Ca 0.00 0.04 -0.33 0.00 -0.06 0.00 0.00 57.16 56.81 2mjp n GLU 35 Cb 0.00 -2.48 -0.13 0.00 -0.06 0.00 0.00 31.44 28.77 2mjp n GLU 35 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2mjp s ILE 36 N 10.07 3.52 -0.19 6.31 -1.09 -1.26 -1.40 121.20 137.16 2mjp s ILE 36 Ca 1.16 -0.49 0.01 0.00 -2.23 0.00 0.00 60.65 59.10 2mjp s ILE 36 Cb -0.74 -2.52 0.04 0.00 -1.58 0.00 0.00 42.46 37.65 2mjp s ILE 36 CO 0.40 0.50 -0.12 -0.70 -1.23 0.00 0.00 174.94 173.79 2mjp s GLU 37 N 0.41 2.16 0.52 2.79 2.12 0.23 -4.93 118.70 122.00 2mjp s GLU 37 Ca -0.07 -0.83 -0.22 0.00 0.36 0.00 0.00 54.97 54.22 2mjp s GLU 37 Cb -0.15 -2.41 -0.07 0.00 0.26 0.00 0.00 34.13 31.77 2mjp s GLU 37 CO 0.04 -0.39 1.10 0.94 -0.54 0.00 0.00 175.26 176.41 2mjp n GLN 38 N 4.68 1.33 -3.71 4.30 7.27 -1.26 -1.31 117.38 128.67 2mjp n GLN 38 Ca -0.15 0.49 -0.11 0.00 0.07 0.00 0.00 57.00 57.29 2mjp n GLN 38 Cb 0.47 -2.26 -0.12 0.00 2.41 0.00 0.00 30.24 30.74 2mjp n GLN 38 CO 0.00 0.00 0.00 -1.50 0.07 0.00 0.00 177.06 175.63 2mjp s ILE 39 N -1.36 -0.05 -1.48 1.69 2.07 -0.77 -4.76 121.20 116.54 2mjp s ILE 39 Ca 0.70 0.12 -0.10 0.00 -1.41 0.00 0.00 60.65 59.96 2mjp s ILE 39 Cb -0.46 -0.50 0.02 0.00 0.13 0.00 0.00 42.46 41.65 2mjp s ILE 39 CO 0.51 0.05 2.51 0.29 -1.91 0.00 0.00 174.94 176.40 2mjp n LYS 40 N 4.29 3.65 -4.04 3.50 4.01 -1.26 -2.78 118.16 125.53 2mjp n LYS 40 Ca -0.24 -2.74 -0.34 0.00 -0.51 0.00 0.00 58.31 54.49 2mjp n LYS 40 Cb 0.54 -2.91 -0.15 0.00 -0.51 0.00 0.00 35.03 31.99 2mjp n LYS 40 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2mjp s ILE 41 N 1.54 2.52 0.24 -0.18 1.01 -1.26 -5.06 121.20 120.01 2mjp s ILE 41 Ca 0.57 -0.85 -0.18 0.00 0.00 0.00 0.00 60.65 60.19 2mjp s ILE 41 Cb 0.16 -2.13 -0.08 0.00 0.01 0.00 0.00 42.46 40.42 2mjp s ILE 41 CO -0.07 0.45 0.71 -0.94 0.00 0.00 0.00 174.94 175.09 2mjp s SER 42 N 1.34 6.95 0.07 3.58 1.04 -1.26 -4.62 113.70 120.79 2mjp s SER 42 Ca 0.04 1.34 0.00 0.00 0.48 0.00 0.00 55.95 57.81 2mjp s SER 42 Cb -0.14 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 2mjp s SER 42 CO -0.09 -0.03 -0.05 -0.72 0.98 0.00 0.00 173.24 173.33 2mjp s TYR 43 N -1.65 0.65 0.09 5.02 1.13 -1.26 -4.88 117.35 116.45 2mjp s TYR 43 Ca 0.46 -0.91 -0.31 0.00 -1.41 0.00 0.00 57.07 54.91 2mjp s TYR 43 Cb -0.15 -0.42 -0.06 0.00 -1.10 0.00 0.00 41.96 40.23 2mjp s TYR 43 CO 0.20 -0.25 1.23 -2.14 -2.51 0.00 0.00 175.55 172.08 2mjp s PRO 44 N -3.44 4.43 -0.50 -3.49 0.02 -1.26 -4.99 135.00 125.77 2mjp s PRO 44 Ca 0.05 1.83 -0.17 0.00 0.02 0.00 0.00 61.00 62.73 2mjp s PRO 44 Cb 0.04 -3.32 0.08 0.00 0.02 0.00 0.00 34.50 31.32 2mjp s PRO 44 CO -0.06 -0.26 0.50 -1.21 -0.33 0.00 0.00 177.00 175.64 2mjp s GLU 45 N 0.88 3.03 0.69 5.54 2.02 -1.26 -4.49 118.70 125.11 2mjp s GLU 45 Ca 0.59 -1.24 -0.11 0.00 0.02 0.00 0.00 54.97 54.22 2mjp s GLU 45 Cb -0.31 -4.15 0.01 0.00 0.10 0.00 0.00 34.13 29.78 2mjp s GLU 45 CO 0.30 -1.16 1.06 0.96 0.02 0.00 0.00 175.26 176.45 2mjp s ILE 46 N 2.02 4.04 -0.11 -1.63 -4.36 -1.26 -5.00 121.20 114.89 2mjp s ILE 46 Ca 0.08 0.66 -0.27 0.00 -0.26 0.00 0.00 60.65 60.86 2mjp s ILE 46 Cb -0.23 -3.43 -0.02 0.00 1.25 0.00 0.00 42.46 40.03 2mjp s ILE 46 CO 0.08 -0.87 0.88 -1.10 0.24 0.00 0.00 174.94 174.17 2mjp s GLN 47 N -5.07 4.39 0.00 0.37 -0.21 -1.26 -4.64 119.66 113.25 2mjp s GLN 47 Ca 0.58 1.15 0.00 0.00 0.02 0.00 0.00 55.36 57.11 2mjp s GLN 47 Cb -0.14 -3.53 0.00 0.00 1.00 0.00 0.00 33.01 30.35 2mjp s GLN 47 CO 0.55 -0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.91 2mjp n GLY 48 N 3.22 -0.83 3.80 3.09 0.00 -1.26 -4.98 105.19 108.21 2mjp n GLY 48 Ca 0.05 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 2mjp n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2mjp s THR 49 N -3.00 2.41 0.26 2.61 -4.23 -1.26 -4.79 115.64 107.64 2mjp s THR 49 Ca 0.00 0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.61 2mjp s THR 49 Cb 0.00 -2.88 0.26 0.00 1.34 0.00 0.00 72.50 71.21 2mjp s THR 49 CO 0.00 -0.17 1.87 -0.07 -0.54 0.00 0.00 174.62 175.70 2mjp h LEU 50 N -1.33 0.97 -1.17 4.79 4.07 -1.97 -0.35 115.31 120.32 2mjp h LEU 50 Ca -0.49 0.02 -0.05 0.00 0.08 0.00 0.00 57.88 57.43 2mjp h LEU 50 Cb 1.31 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.84 2mjp h LEU 50 CO 0.61 0.61 0.03 -0.33 -1.08 0.00 0.00 178.44 178.28 2mjp h GLU 51 N 1.10 0.61 -0.22 1.13 3.07 -1.93 -1.31 114.58 117.03 2mjp h GLU 51 Ca 0.42 -0.13 -0.06 0.00 -0.50 0.00 0.00 59.36 59.09 2mjp h GLU 51 Cb 0.20 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 2mjp h GLU 51 CO -0.18 0.61 -0.10 0.93 -1.40 0.00 0.00 179.01 178.87 2mjp h GLU 52 N 0.58 0.45 -0.45 2.33 5.08 -1.44 -2.08 114.58 119.05 2mjp h GLU 52 Ca 0.13 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2mjp h GLU 52 Cb 0.33 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2mjp h GLU 52 CO 0.01 0.73 0.25 0.28 -1.00 0.00 0.00 179.01 179.27 2mjp h VAL 53 N 0.17 1.16 -0.43 3.13 2.07 -1.11 -1.10 116.25 120.14 2mjp h VAL 53 Ca 0.05 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 67.05 2mjp h VAL 53 Cb 0.58 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2mjp h VAL 53 CO 0.03 0.17 -0.16 0.00 0.02 0.00 0.00 177.57 177.63 2mjp h ALA 54 N 1.09 0.91 -0.06 1.67 0.00 -1.22 0.18 119.26 121.84 2mjp h ALA 54 Ca 0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2mjp h ALA 54 Cb 0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2mjp h ALA 54 CO -0.03 0.62 -0.04 1.49 0.00 0.00 0.00 179.25 181.30 2mjp h GLU 55 N 0.71 0.13 0.14 0.00 4.81 -1.30 0.59 114.58 119.67 2mjp h GLU 55 Ca 0.11 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2mjp h GLU 55 Cb 0.67 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2mjp h GLU 55 CO 0.05 0.53 -0.07 0.35 -0.73 0.00 0.00 179.01 179.14 2mjp h PHE 56 N -0.27 -0.18 -0.95 0.92 3.04 -1.18 -2.67 116.94 115.65 2mjp h PHE 56 Ca 0.01 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.01 2mjp h PHE 56 Cb 0.49 0.06 -0.06 0.00 2.56 0.00 0.00 35.95 39.00 2mjp h PHE 56 CO 0.07 0.01 0.61 0.78 -2.02 0.00 0.00 178.31 177.76 2mjp h GLY 57 N -0.34 1.42 1.00 2.40 0.00 -0.63 -1.45 103.07 105.46 2mjp h GLY 57 Ca -0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 2mjp h GLY 57 CO 0.03 0.35 -0.24 0.00 0.00 0.00 0.00 176.54 176.68 2mjp h ALA 58 N 1.41 -0.67 0.00 3.60 0.00 -0.77 -2.50 119.26 120.33 2mjp h ALA 58 Ca 0.40 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2mjp h ALA 58 Cb 0.09 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2mjp h ALA 58 CO -0.15 -0.87 -0.20 -0.22 0.00 0.00 0.00 179.25 177.81 2mjp h LYS 59 N -0.68 0.00 0.01 0.00 1.63 -1.41 -1.69 116.57 114.42 2mjp h LYS 59 Ca -0.07 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2mjp h LYS 59 Cb 0.52 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 2mjp h LYS 59 CO 0.11 0.20 -0.01 2.35 -3.45 0.00 0.00 179.45 178.66 2mjp h TRP 60 N 0.00 -0.01 0.00 1.91 2.91 -1.05 -1.51 115.95 118.21 2mjp h TRP 60 Ca -0.00 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2mjp h TRP 60 Cb 0.38 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.04 2mjp h TRP 60 CO 0.00 0.38 0.00 -0.24 -1.03 0.00 0.00 178.44 177.55 2mjp h VAL 61 N -0.41 0.00 -0.12 2.65 3.04 -1.39 -3.07 116.25 116.95 2mjp h VAL 61 Ca -0.00 -0.74 -0.17 0.00 -1.01 0.00 0.00 66.70 64.77 2mjp h VAL 61 Cb 0.40 1.73 0.01 0.00 -2.01 0.00 0.00 31.29 31.41 2mjp h VAL 61 CO 0.00 0.00 -0.61 0.22 -1.01 0.00 0.00 177.57 176.18 2mjp h TYR 62 N 0.00 0.84 0.00 3.17 3.20 -1.22 0.05 116.97 123.00 2mjp h TYR 62 Ca 0.00 -0.37 -0.02 0.00 3.14 0.00 0.00 58.73 61.48 2mjp h TYR 62 Cb 0.77 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 2mjp h TYR 62 CO 0.00 1.17 -0.09 -0.97 -1.64 0.00 0.00 178.16 176.63 2mjp h ASN 63 N 0.27 0.00 0.09 -2.11 -0.00 -1.21 1.26 115.58 113.88 2mjp h ASN 63 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.25 2mjp h ASN 63 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.57 2mjp h ASN 63 CO 0.13 0.09 -0.04 0.40 -0.00 0.00 0.00 177.43 178.00 2mjp h ILE 64 N 0.00 0.00 0.00 2.57 2.04 -1.43 -3.39 117.51 117.30 2mjp h ILE 64 Ca -0.00 -0.45 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 2mjp h ILE 64 Cb 0.20 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 2mjp h ILE 64 CO 0.01 0.00 -0.29 0.25 0.00 0.00 0.00 178.15 178.12 2mjp h LEU 65 N -0.56 0.00 -1.70 1.44 5.85 -0.88 -3.48 115.31 115.98 2mjp h LEU 65 Ca -0.01 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 58.18 2mjp h LEU 65 Cb 0.09 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.01 2mjp h LEU 65 CO 0.02 0.29 -0.88 0.29 -0.34 0.00 0.00 178.44 177.83 2mjp n LYS 66 N -3.44 -3.10 -3.80 1.25 4.76 0.43 -4.96 118.16 109.31 2mjp n LYS 66 Ca 0.00 0.37 -0.10 0.00 -2.87 0.00 0.00 58.31 55.72 2mjp n LYS 66 Cb 0.48 -4.61 -0.05 0.00 -1.84 0.00 0.00 35.03 29.00 2mjp n LYS 66 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2mjp s LYS 67 N -6.72 1.15 0.10 1.97 1.02 -1.26 -5.05 119.74 110.94 2mjp s LYS 67 Ca 0.20 -0.94 -0.31 0.00 0.02 0.00 0.00 55.97 54.95 2mjp s LYS 67 Cb -0.11 0.44 -0.08 0.00 -0.52 0.00 0.00 37.83 37.55 2mjp s LYS 67 CO 0.91 -0.44 1.55 -2.14 -0.92 0.00 0.00 175.35 174.31 2mjp s PRO 68 N -3.88 4.23 0.04 -1.68 0.02 -1.26 -4.82 135.00 127.66 2mjp s PRO 68 Ca 0.09 2.25 -0.04 0.00 0.02 0.00 0.00 61.00 63.33 2mjp s PRO 68 Cb 0.02 -3.41 -0.02 0.00 0.02 0.00 0.00 34.50 31.11 2mjp s PRO 68 CO -0.06 -0.63 0.05 0.14 -0.33 0.00 0.00 177.00 176.17 2mjp s VAL 69 N 1.91 0.16 0.06 3.83 -7.23 -1.12 -1.78 120.40 116.23 2mjp s VAL 69 Ca 0.70 -1.32 0.06 0.00 -1.81 0.00 0.00 61.98 59.61 2mjp s VAL 69 Cb -0.39 -1.07 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 2mjp s VAL 69 CO 0.31 -0.73 -0.18 0.27 -0.31 0.00 0.00 175.10 174.46 2mjp s ILE 70 N -3.03 1.43 0.39 -0.62 -4.36 0.18 -1.54 121.20 113.65 2mjp s ILE 70 Ca -0.01 -1.22 0.04 0.00 -0.26 0.00 0.00 60.65 59.19 2mjp s ILE 70 Cb 0.01 -1.29 -0.05 0.00 1.25 0.00 0.00 42.46 42.39 2mjp s ILE 70 CO -0.07 0.03 0.06 0.68 0.24 0.00 0.00 174.94 175.89 2mjp s VAL 71 N -0.95 1.16 -0.24 8.37 -7.23 -0.18 -1.46 120.40 119.88 2mjp s VAL 71 Ca 0.04 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.04 2mjp s VAL 71 Cb -0.09 -2.61 0.07 0.00 0.56 0.00 0.00 36.38 34.31 2mjp s VAL 71 CO 0.02 0.00 0.60 -0.70 -0.31 0.00 0.00 175.10 174.71 2mjp s GLU 72 N -3.81 0.65 -0.04 4.82 -6.30 -1.26 -1.28 118.70 111.48 2mjp s GLU 72 Ca 0.28 0.99 0.01 0.00 -2.50 0.00 0.00 54.97 53.74 2mjp s GLU 72 Cb 0.06 0.19 0.02 0.00 0.00 0.00 0.00 34.13 34.41 2mjp s GLU 72 CO 0.14 -0.13 -0.03 0.34 0.02 0.00 0.00 175.26 175.60 2mjp s ASP 73 N 1.05 0.79 0.27 -1.70 3.68 -0.65 -4.98 116.67 115.13 2mjp s ASP 73 Ca -0.06 -0.10 0.09 0.00 2.13 0.00 0.00 52.55 54.62 2mjp s ASP 73 Cb -0.05 -0.38 -0.05 0.00 -1.45 0.00 0.00 42.92 40.98 2mjp s ASP 73 CO -0.10 -0.07 -0.14 -0.44 0.13 0.00 0.00 175.17 174.55 2mjp s SER 74 N 0.95 3.16 0.20 -0.34 0.01 -1.26 -1.11 113.70 115.31 2mjp s SER 74 Ca -0.11 -1.08 -0.13 0.00 1.31 0.00 0.00 55.95 55.94 2mjp s SER 74 Cb -0.14 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.86 2mjp s SER 74 CO -0.00 -0.13 0.43 -0.83 0.41 0.00 0.00 173.24 173.11 2mjp s GLY 75 N -3.46 0.32 -0.13 3.44 0.00 -0.15 -4.84 107.32 102.50 2mjp s GLY 75 Ca 0.28 -0.68 0.03 0.00 0.00 0.00 0.00 44.72 44.35 2mjp s GLY 75 CO 0.12 -0.58 -0.22 -0.12 0.00 0.00 0.00 173.10 172.30 2mjp s PHE 76 N -3.96 2.66 -0.15 1.90 5.99 -1.25 -1.41 117.98 121.76 2mjp s PHE 76 Ca 0.17 -1.27 0.02 0.00 0.00 0.00 0.00 56.93 55.84 2mjp s PHE 76 Cb 0.01 -1.80 0.01 0.00 0.00 0.00 0.00 43.02 41.24 2mjp s PHE 76 CO 0.02 -0.57 -0.20 -0.06 -0.00 0.00 0.00 175.22 174.41 2mjp s PHE 77 N 0.73 2.60 -0.12 10.12 0.08 -0.30 -0.65 117.98 130.45 2mjp s PHE 77 Ca -0.09 -1.39 -0.01 0.00 0.12 0.00 0.00 56.93 55.56 2mjp s PHE 77 Cb -0.16 -1.79 -0.02 0.00 -0.57 0.00 0.00 43.02 40.47 2mjp s PHE 77 CO 0.00 -0.66 -0.07 0.54 -0.10 0.00 0.00 175.22 174.93 2mjp s VAL 78 N 1.01 3.59 0.08 -0.44 0.11 -0.73 -1.29 120.40 122.74 2mjp s VAL 78 Ca -0.03 -0.49 -0.31 0.00 -2.93 0.00 0.00 61.98 58.23 2mjp s VAL 78 Cb -0.15 -2.52 -0.16 0.00 -1.53 0.00 0.00 36.38 32.03 2mjp s VAL 78 CO -0.06 0.54 1.63 -0.08 -3.33 0.00 0.00 175.10 173.80 2mjp h GLU 79 N 6.18 -0.71 -0.01 1.54 4.81 -1.24 -0.45 114.58 124.70 2mjp h GLU 79 Ca -0.36 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2mjp h GLU 79 Cb 1.19 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.73 2mjp h GLU 79 CO 0.57 -0.47 0.01 0.00 -0.73 0.00 0.00 179.01 178.39 2mjp h ALA 80 N -0.26 1.46 -0.55 2.92 0.00 -1.74 -1.10 119.26 119.98 2mjp h ALA 80 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2mjp h ALA 80 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2mjp h ALA 80 CO 0.05 -0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.56 2mjp n LEU 81 N -3.72 5.04 -2.69 0.00 4.77 -1.07 -4.95 117.00 114.39 2mjp n LEU 81 Ca -0.03 -2.56 -0.21 0.00 -0.03 0.00 0.00 56.01 53.19 2mjp n LEU 81 Cb 0.09 -0.63 0.02 0.00 -2.33 0.00 0.00 43.42 40.57 2mjp n LEU 81 CO 0.26 0.65 -0.06 0.59 -1.33 0.00 0.00 177.39 177.50 2mjp n ASN 82 N 0.73 -5.79 0.00 -1.43 3.02 -0.42 -2.92 115.26 108.45 2mjp n ASN 82 Ca 0.25 -0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 2mjp n ASN 82 Cb 1.03 -4.66 0.00 0.00 -0.61 0.00 0.00 39.78 35.53 2mjp n ASN 82 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2mjp n GLY 83 N -1.38 2.91 3.47 7.41 0.00 -0.20 -5.00 105.19 112.41 2mjp n GLY 83 Ca -0.13 -0.61 -0.44 0.00 0.00 0.00 0.00 46.02 44.83 2mjp n GLY 83 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2mjp n PHE 84 N 0.00 -0.10 0.20 1.61 7.35 -1.15 -1.72 117.46 123.65 2mjp n PHE 84 Ca 0.00 0.72 0.09 0.00 -0.76 0.00 0.00 57.45 57.50 2mjp n PHE 84 Cb 0.00 -2.04 0.29 0.00 0.35 0.00 0.00 39.48 38.08 2mjp n PHE 84 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 2mjp h PRO 85 N 1.15 0.00 0.00 -7.13 0.11 -1.89 -1.95 132.00 122.29 2mjp h PRO 85 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2mjp h PRO 85 Cb 1.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.51 2mjp h PRO 85 CO 0.55 0.25 0.00 0.41 -0.21 0.00 0.00 178.00 179.00 2mjp n GLY 86 N 0.65 3.05 0.00 -0.55 0.00 0.18 -0.86 105.19 107.65 2mjp n GLY 86 Ca 0.01 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.92 2mjp n GLY 86 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2mjp n THR 87 N 0.00 0.81 -1.40 2.61 5.66 -1.26 -1.88 114.28 118.83 2mjp n THR 87 Ca 0.00 0.20 -0.11 0.00 -3.05 0.00 0.00 64.05 61.09 2mjp n THR 87 Cb 0.00 -1.05 0.19 0.00 -1.55 0.00 0.00 70.33 67.92 2mjp n THR 87 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2mjp n TYR 88 N -1.29 1.78 -0.31 1.09 4.01 -0.04 -4.73 117.16 117.67 2mjp n TYR 88 Ca 0.04 -1.72 0.01 0.00 -0.16 0.00 0.00 57.90 56.07 2mjp n TYR 88 Cb 0.07 -0.65 0.19 0.00 -0.31 0.00 0.00 39.34 38.64 2mjp n TYR 88 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2mjp h SER 89 N 1.03 0.99 -0.26 7.72 0.02 -1.45 -0.84 113.55 120.77 2mjp h SER 89 Ca 0.37 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.24 2mjp h SER 89 Cb 2.04 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 64.34 2mjp h SER 89 CO 0.64 0.70 -0.06 0.50 -1.14 0.00 0.00 176.83 177.47 2mjp h LYS 90 N 1.16 0.49 -0.38 3.45 1.63 -1.87 0.11 116.57 121.16 2mjp h LYS 90 Ca 0.35 -0.19 -0.00 0.00 -0.85 0.00 0.00 60.65 59.96 2mjp h LYS 90 Cb -0.04 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 2mjp h LYS 90 CO -0.10 0.71 0.23 0.35 -3.45 0.00 0.00 179.45 177.19 2mjp h PHE 91 N 0.24 0.50 -0.53 1.91 3.04 -1.89 0.21 116.94 120.41 2mjp h PHE 91 Ca 0.07 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.93 2mjp h PHE 91 Cb 0.52 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.85 2mjp h PHE 91 CO 0.05 0.35 -0.01 0.28 -2.02 0.00 0.00 178.31 176.96 2mjp h VAL 92 N 0.50 1.26 -0.31 1.41 2.07 -1.06 -1.04 116.25 119.07 2mjp h VAL 92 Ca 0.14 -1.09 -0.08 0.00 0.82 0.00 0.00 66.70 66.49 2mjp h VAL 92 Cb -0.00 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2mjp h VAL 92 CO -0.03 0.39 -0.13 -0.61 0.02 0.00 0.00 177.57 177.22 2mjp h GLN 93 N 0.84 0.53 0.00 1.57 5.75 -0.22 -1.68 115.11 121.91 2mjp h GLN 93 Ca 0.16 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2mjp h GLN 93 Cb 0.51 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.01 2mjp h GLN 93 CO 0.03 0.65 -0.46 -0.85 -2.65 0.00 0.00 178.83 175.55 2mjp n GLU 94 N -4.19 0.25 -0.12 1.69 0.28 0.68 -2.92 120.64 116.30 2mjp n GLU 94 Ca 0.01 0.10 -0.24 0.00 -0.16 0.00 0.00 57.16 56.87 2mjp n GLU 94 Cb 0.33 -1.68 -0.08 0.00 1.43 0.00 0.00 31.44 31.44 2mjp n GLU 94 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2mjp n THR 95 N -2.06 1.47 0.28 3.84 -2.24 -0.43 -4.77 114.28 110.37 2mjp n THR 95 Ca 0.04 -0.25 0.06 0.00 -2.27 0.00 0.00 64.05 61.63 2mjp n THR 95 Cb 0.42 -1.97 -0.08 0.00 -2.10 0.00 0.00 70.33 66.60 2mjp n THR 95 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2mjp n ILE 96 N -4.25 0.00 -3.42 2.28 -5.35 -0.71 -5.07 119.36 102.84 2mjp n ILE 96 Ca -0.43 -0.25 0.08 0.00 -0.27 0.00 0.00 62.75 61.88 2mjp n ILE 96 Cb 0.78 0.63 -0.02 0.00 -1.74 0.00 0.00 39.64 39.29 2mjp n ILE 96 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2mjp n GLY 97 N 1.54 -1.28 0.37 3.28 0.00 -0.73 -1.02 105.19 107.36 2mjp n GLY 97 Ca 0.00 -1.02 0.06 0.00 0.00 0.00 0.00 46.02 45.06 2mjp n GLY 97 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2mjp h ASN 98 N -0.54 0.95 -0.88 1.61 -0.26 -1.89 0.12 115.58 114.70 2mjp h ASN 98 Ca 0.01 0.04 0.15 0.00 -0.56 0.00 0.00 56.30 55.94 2mjp h ASN 98 Cb 0.53 -0.16 -0.09 0.00 -1.06 0.00 0.00 38.32 37.54 2mjp h ASN 98 CO 0.00 0.54 0.48 1.05 -1.06 0.00 0.00 177.43 178.44 2mjp h GLU 99 N 1.04 0.66 -0.57 0.81 9.09 -1.99 -1.38 114.58 122.25 2mjp h GLU 99 Ca 0.48 -0.04 -0.09 0.00 0.05 0.00 0.00 59.36 59.75 2mjp h GLU 99 Cb 0.40 -0.15 -0.02 0.00 -1.65 0.00 0.00 28.75 27.33 2mjp h GLU 99 CO -0.23 0.43 -0.01 0.78 0.05 0.00 0.00 179.01 180.03 2mjp h GLY 100 N 0.68 1.07 2.00 1.06 0.00 1.00 -2.32 103.07 106.55 2mjp h GLY 100 Ca 0.48 -0.77 -0.14 0.00 0.00 0.00 0.00 47.33 46.90 2mjp h GLY 100 CO -0.35 0.71 -0.67 0.16 0.00 0.00 0.00 176.54 176.39 2mjp h ILE 101 N 0.91 1.33 -0.24 2.60 -0.00 -1.10 -2.56 117.51 118.45 2mjp h ILE 101 Ca 0.16 -2.41 -0.13 0.00 -0.00 0.00 0.00 64.86 62.48 2mjp h ILE 101 Cb 0.54 2.35 -0.01 0.00 -0.00 0.00 0.00 36.82 39.70 2mjp h ILE 101 CO 0.03 0.65 -0.40 -0.07 -0.00 0.00 0.00 178.15 178.36 2mjp h LEU 102 N 0.00 0.59 -0.33 0.16 4.07 -1.15 -1.17 115.31 117.47 2mjp h LEU 102 Ca -0.01 -0.26 -0.18 0.00 0.08 0.00 0.00 57.88 57.52 2mjp h LEU 102 Cb 1.30 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.87 2mjp h LEU 102 CO 0.09 0.92 -0.49 0.50 -1.08 0.00 0.00 178.44 178.39 2mjp h LYS 103 N 0.46 0.91 -0.35 1.13 3.64 -1.37 -1.74 116.57 119.24 2mjp h LYS 103 Ca 0.04 -0.54 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 2mjp h LYS 103 Cb 0.90 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 2mjp h LYS 103 CO 0.08 1.18 0.08 1.25 -2.27 0.00 0.00 179.45 179.76 2mjp h LEU 104 N 0.71 0.48 -0.38 5.20 5.85 -1.33 -2.53 115.31 123.31 2mjp h LEU 104 Ca 0.03 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2mjp h LEU 104 Cb 1.09 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2mjp h LEU 104 CO 0.11 0.49 -0.26 0.18 -0.34 0.00 0.00 178.44 178.62 2mjp n LEU 105 N -4.34 0.86 -4.63 2.25 4.77 -0.45 -4.89 117.00 110.56 2mjp n LEU 105 Ca 0.02 -0.18 -0.44 0.00 -0.03 0.00 0.00 56.01 55.38 2mjp n LEU 105 Cb 0.19 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 2mjp n LEU 105 CO 0.38 0.16 0.73 -0.62 -1.33 0.00 0.00 177.39 176.71 2mjp n GLU 106 N -0.82 1.67 -0.40 3.23 1.02 -0.68 -1.33 120.64 123.33 2mjp n GLU 106 Ca 0.12 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 2mjp n GLU 106 Cb 0.34 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 2mjp n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2mjp n GLY 107 N 1.18 0.88 3.82 0.62 0.00 -1.26 -4.97 105.19 105.45 2mjp n GLY 107 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 2mjp n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2mjp s LYS 108 N -0.30 4.10 -0.02 1.61 -0.14 -0.45 -4.98 119.74 119.57 2mjp s LYS 108 Ca 0.00 0.61 0.21 0.00 -1.36 0.00 0.00 55.97 55.43 2mjp s LYS 108 Cb 0.00 -3.24 -0.25 0.00 -1.68 0.00 0.00 37.83 32.67 2mjp s LYS 108 CO 0.00 0.64 0.53 -3.47 -0.76 0.00 0.00 175.35 172.29 2mjp n ASP 109 N 1.82 0.24 -4.48 2.83 4.64 -1.26 -4.70 116.55 115.63 2mjp n ASP 109 Ca -0.12 0.10 -0.43 0.00 -1.38 0.00 0.00 54.79 52.97 2mjp n ASP 109 Cb 0.51 1.34 -0.03 0.00 -1.04 0.00 0.00 41.12 41.90 2mjp n ASP 109 CO 0.00 0.00 0.00 0.21 -0.82 0.00 0.00 177.20 176.59 2mjp s ASN 110 N -4.99 6.32 -0.25 1.67 2.47 -1.26 -4.80 114.94 114.10 2mjp s ASN 110 Ca -0.07 -1.20 0.12 0.00 0.42 0.00 0.00 52.86 52.13 2mjp s ASN 110 Cb 0.11 -2.46 0.74 0.00 -1.45 0.00 0.00 41.25 38.19 2mjp s ASN 110 CO 0.86 -1.44 1.69 0.54 -3.72 0.00 0.00 177.10 175.04 2mjp n ARG 111 N 7.90 4.27 -2.33 0.43 1.74 -1.26 -4.16 116.66 123.24 2mjp n ARG 111 Ca 0.09 -2.91 -0.41 0.00 -0.77 0.00 0.00 57.85 53.85 2mjp n ARG 111 Cb 0.48 -2.20 -0.03 0.00 -1.02 0.00 0.00 32.46 29.68 2mjp n ARG 111 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2mjp s ASN 112 N -0.78 7.07 0.26 0.55 -0.87 -1.26 0.94 114.94 120.85 2mjp s ASN 112 Ca 0.51 2.39 -0.19 0.00 -1.57 0.00 0.00 52.86 54.00 2mjp s ASN 112 Cb 0.40 -2.63 0.02 0.00 -0.02 0.00 0.00 41.25 39.02 2mjp s ASN 112 CO 0.14 -0.33 0.64 0.00 -2.57 0.00 0.00 177.10 174.99 2mjp s ALA 113 N -0.83 -0.99 -0.01 0.60 0.00 -0.54 -0.70 121.76 119.28 2mjp s ALA 113 Ca 0.48 -0.39 -0.25 0.00 0.00 0.00 0.00 51.96 51.80 2mjp s ALA 113 Cb -0.35 0.90 0.05 0.00 0.00 0.00 0.00 23.12 23.73 2mjp s ALA 113 CO 0.43 -0.96 0.55 1.52 0.00 0.00 0.00 175.76 177.30 2mjp s TYR 114 N -3.93 -0.49 0.12 0.00 1.13 -0.41 0.59 117.35 114.36 2mjp s TYR 114 Ca 0.13 0.75 -0.03 0.00 -1.41 0.00 0.00 57.07 56.51 2mjp s TYR 114 Cb -0.04 0.32 -0.05 0.00 -1.10 0.00 0.00 41.96 41.10 2mjp s TYR 114 CO 0.06 -0.57 0.32 -0.06 -2.51 0.00 0.00 175.55 172.78 2mjp s PHE 115 N -1.60 3.49 -0.05 -3.49 0.40 -0.18 -1.15 117.98 115.40 2mjp s PHE 115 Ca -0.10 0.43 -0.05 0.00 -0.60 0.00 0.00 56.93 56.61 2mjp s PHE 115 Cb -0.01 -1.90 0.01 0.00 0.51 0.00 0.00 43.02 41.63 2mjp s PHE 115 CO 0.05 0.49 0.14 0.21 0.70 0.00 0.00 175.22 176.81 2mjp s LYS 116 N -2.66 0.16 0.03 0.44 2.20 -0.50 -2.17 119.74 117.24 2mjp s LYS 116 Ca 0.39 0.19 0.06 0.00 -0.36 0.00 0.00 55.97 56.24 2mjp s LYS 116 Cb -0.12 0.08 -0.02 0.00 -1.51 0.00 0.00 37.83 36.25 2mjp s LYS 116 CO 0.26 -0.02 -0.17 0.99 -0.36 0.00 0.00 175.35 176.05 2mjp s THR 117 N 0.06 1.38 -0.09 3.43 2.01 -0.42 -0.98 115.64 121.03 2mjp s THR 117 Ca -0.00 -1.05 -0.01 0.00 0.31 0.00 0.00 61.69 60.94 2mjp s THR 117 Cb -0.01 -1.21 0.03 0.00 0.01 0.00 0.00 72.50 71.32 2mjp s THR 117 CO 0.00 0.14 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.37 2mjp s VAL 118 N -0.76 0.59 -0.20 3.82 1.01 -0.27 -2.10 120.40 122.49 2mjp s VAL 118 Ca 0.05 -0.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 2mjp s VAL 118 Cb -0.08 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 2mjp s VAL 118 CO 0.01 0.27 0.40 -0.63 0.00 0.00 0.00 175.10 175.15 2mjp s ILE 119 N 1.88 5.20 -0.30 2.22 1.01 0.16 -1.64 121.20 129.73 2mjp s ILE 119 Ca 0.05 0.71 -0.12 0.00 0.00 0.00 0.00 60.65 61.28 2mjp s ILE 119 Cb -0.13 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2mjp s ILE 119 CO -0.06 0.25 0.24 -0.83 0.00 0.00 0.00 174.94 174.54 2mjp s GLY 120 N 1.05 1.93 -0.08 6.18 0.00 -0.40 -1.42 107.32 114.57 2mjp s GLY 120 Ca 0.19 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 43.74 2mjp s GLY 120 CO 0.08 0.76 -0.01 -0.47 0.00 0.00 0.00 173.10 173.46 2mjp s TYR 121 N 1.81 3.13 -0.03 1.90 5.04 0.11 -1.01 117.35 128.30 2mjp s TYR 121 Ca 0.08 0.17 -0.01 0.00 -2.44 0.00 0.00 57.07 54.87 2mjp s TYR 121 Cb -0.16 -1.78 0.03 0.00 0.35 0.00 0.00 41.96 40.39 2mjp s TYR 121 CO 0.11 0.45 0.06 0.00 -1.34 0.00 0.00 175.55 174.83 2mjp n ASP 123 N 3.99 3.04 0.00 0.00 4.64 0.33 -2.80 116.55 125.75 2mjp n ASP 123 Ca -0.25 -2.81 0.09 0.00 -1.38 0.00 0.00 54.79 50.45 2mjp n ASP 123 Cb 0.52 0.24 0.47 0.00 -1.04 0.00 0.00 41.12 41.31 2mjp n ASP 123 CO 0.00 0.00 0.00 -1.84 -0.82 0.00 0.00 177.20 174.54 2mjp n GLU 124 N -1.15 0.29 -0.08 -0.67 0.00 -1.26 -2.37 120.64 115.41 2mjp n GLU 124 Ca -0.15 0.10 -0.23 0.00 0.00 0.00 0.00 57.16 56.89 2mjp n GLU 124 Cb 0.53 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.35 2mjp n GLU 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2mjp n ASN 125 N -1.25 1.98 0.00 -1.84 3.02 -1.26 -5.12 115.26 110.79 2mjp n ASN 125 Ca 0.09 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 2mjp n ASN 125 Cb 0.14 -0.85 0.00 0.00 -0.61 0.00 0.00 39.78 38.46 2mjp n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2mjp n GLY 126 N 1.69 -0.04 3.76 7.41 0.00 -1.00 -5.14 105.19 111.87 2mjp n GLY 126 Ca -0.37 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 2mjp n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2mjp s VAL 127 N -3.38 4.53 -0.02 1.61 1.01 -1.26 -0.51 120.40 122.39 2mjp s VAL 127 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2mjp s VAL 127 Cb 0.00 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.30 2mjp s VAL 127 CO 0.00 0.27 0.02 -0.13 0.00 0.00 0.00 175.10 175.26 2mjp s ARG 128 N -1.95 0.02 -0.02 2.72 1.81 -0.25 -4.98 118.95 116.29 2mjp s ARG 128 Ca 0.25 0.14 0.01 0.00 -1.72 0.00 0.00 55.73 54.40 2mjp s ARG 128 Cb -0.12 -0.25 -0.03 0.00 -0.45 0.00 0.00 34.95 34.10 2mjp s ARG 128 CO 0.16 -0.14 0.00 -0.51 -0.68 0.00 0.00 175.30 174.14 2mjp s LEU 129 N 0.89 3.52 -0.05 2.53 1.43 -1.26 0.06 118.68 125.80 2mjp s LEU 129 Ca -0.08 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 2mjp s LEU 129 Cb -0.11 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.17 2mjp s LEU 129 CO -0.02 0.31 -0.08 -0.36 0.23 0.00 0.00 176.35 176.42 2mjp s PHE 130 N -1.03 1.08 0.21 0.29 0.08 -0.51 -4.95 117.98 113.15 2mjp s PHE 130 Ca 0.18 -0.36 0.11 0.00 0.12 0.00 0.00 56.93 56.98 2mjp s PHE 130 Cb -0.11 -0.85 -0.04 0.00 -0.57 0.00 0.00 43.02 41.44 2mjp s PHE 130 CO 0.08 -0.23 -0.22 0.15 -0.10 0.00 0.00 175.22 174.91 2mjp s LYS 131 N 0.78 1.61 -0.02 0.44 1.02 -1.26 0.36 119.74 122.67 2mjp s LYS 131 Ca -0.13 -1.54 -0.06 0.00 0.02 0.00 0.00 55.97 54.26 2mjp s LYS 131 Cb -0.15 -1.87 0.01 0.00 -0.52 0.00 0.00 37.83 35.29 2mjp s LYS 131 CO 0.02 0.39 0.13 0.20 -0.92 0.00 0.00 175.35 175.17 2mjp s GLY 132 N -2.83 -0.00 -0.17 -3.33 0.00 -0.89 -3.73 107.32 96.36 2mjp s GLY 132 Ca 0.23 0.05 -0.14 0.00 0.00 0.00 0.00 44.72 44.86 2mjp s GLY 132 CO 0.11 -0.05 0.45 -0.42 0.00 0.00 0.00 173.10 173.19 2mjp s ILE 133 N -0.83 -0.01 -0.16 0.90 1.01 -1.26 -1.30 121.20 119.55 2mjp s ILE 133 Ca -0.09 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.58 2mjp s ILE 133 Cb -0.05 -0.64 0.03 0.00 0.01 0.00 0.00 42.46 41.81 2mjp s ILE 133 CO 0.01 0.01 -0.11 -0.69 0.00 0.00 0.00 174.94 174.16 2mjp s VAL 134 N 0.55 1.44 0.43 2.92 1.01 -0.92 -4.73 120.40 121.09 2mjp s VAL 134 Ca -0.02 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 2mjp s VAL 134 Cb -0.04 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2mjp s VAL 134 CO -0.03 0.34 0.70 -0.54 0.00 0.00 0.00 175.10 175.57 2mjp s LYS 135 N 1.52 3.52 0.00 2.72 -0.14 -1.26 -1.01 119.74 125.09 2mjp s LYS 135 Ca 0.03 0.00 0.00 0.00 -1.36 0.00 0.00 55.97 54.64 2mjp s LYS 135 Cb -0.14 -2.48 0.00 0.00 -1.68 0.00 0.00 37.83 33.53 2mjp s LYS 135 CO -0.09 -0.07 0.00 0.41 -0.76 0.00 0.00 175.35 174.83 2mjp n GLY 136 N -2.08 -0.89 3.25 -3.33 0.00 0.20 -2.42 105.19 99.93 2mjp n GLY 136 Ca -0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 2mjp n GLY 136 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2mjp s ARG 137 N -0.09 0.99 -0.10 1.61 1.70 -0.86 -1.47 118.95 120.72 2mjp s ARG 137 Ca 0.00 -1.16 -0.18 0.00 -0.47 0.00 0.00 55.73 53.92 2mjp s ARG 137 Cb 0.00 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.67 2mjp s ARG 137 CO 0.00 -0.33 0.48 0.08 -1.08 0.00 0.00 175.30 174.45 2mjp s VAL 138 N -3.95 5.16 0.69 4.99 1.01 0.27 -1.14 120.40 127.44 2mjp s VAL 138 Ca 0.14 0.96 -0.16 0.00 0.00 0.00 0.00 61.98 62.92 2mjp s VAL 138 Cb 0.05 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.63 2mjp s VAL 138 CO -0.04 0.35 1.24 -0.55 0.00 0.00 0.00 175.10 176.11 2mjp s SER 139 N 0.46 4.37 0.02 3.32 0.15 0.50 -4.90 113.70 117.62 2mjp s SER 139 Ca 0.26 2.47 0.27 0.00 0.70 0.00 0.00 55.95 59.65 2mjp s SER 139 Cb -0.15 -2.60 1.11 0.00 -1.71 0.00 0.00 66.02 62.66 2mjp s SER 139 CO 0.11 -2.15 1.85 -1.84 1.20 0.00 0.00 173.24 172.40 2mjp n GLU 140 N -2.36 0.03 -3.56 5.44 0.00 -1.26 -4.88 120.64 114.05 2mjp n GLU 140 Ca 0.14 0.06 -0.09 0.00 0.00 0.00 0.00 57.16 57.28 2mjp n GLU 140 Cb 0.49 -1.53 -0.02 0.00 0.00 0.00 0.00 31.44 30.38 2mjp n GLU 140 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2mjp s GLU 141 N -3.01 1.13 0.17 3.44 -1.05 -1.26 -5.08 118.70 113.04 2mjp s GLU 141 Ca 0.13 -0.49 -0.30 0.00 -0.15 0.00 0.00 54.97 54.15 2mjp s GLU 141 Cb 0.17 0.48 -0.08 0.00 -0.44 0.00 0.00 34.13 34.25 2mjp s GLU 141 CO 0.50 -0.50 1.29 0.42 0.95 0.00 0.00 175.26 177.91 2mjp s ILE 142 N -3.43 3.36 -0.08 1.83 1.01 -1.26 -4.75 121.20 117.88 2mjp s ILE 142 Ca 0.06 1.10 -0.03 0.00 0.00 0.00 0.00 60.65 61.77 2mjp s ILE 142 Cb -0.02 -3.70 0.04 0.00 0.01 0.00 0.00 42.46 38.80 2mjp s ILE 142 CO -0.07 0.15 0.13 -0.13 0.00 0.00 0.00 174.94 175.02 2mjp s ARG 143 N 0.10 0.01 0.01 2.79 0.52 -0.23 -5.05 118.95 117.09 2mjp s ARG 143 Ca 0.57 0.47 -0.04 0.00 -0.52 0.00 0.00 55.73 56.21 2mjp s ARG 143 Cb -0.35 -0.44 -0.01 0.00 0.52 0.00 0.00 34.95 34.67 2mjp s ARG 143 CO 0.36 -0.34 0.07 0.45 0.02 0.00 0.00 175.30 175.86 2mjp s SER 144 N 2.25 0.10 0.00 0.23 0.15 -1.26 -4.35 113.70 110.82 2mjp s SER 144 Ca 0.04 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.39 2mjp s SER 144 Cb -0.12 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 2mjp s SER 144 CO -0.05 -0.33 0.74 0.29 1.20 0.00 0.00 173.24 175.09 2mjp n LYS 145 N 1.59 1.12 0.00 5.44 5.02 -0.25 -4.90 118.16 126.18 2mjp n LYS 145 Ca -0.23 -1.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.06 2mjp n LYS 145 Cb 0.56 -0.97 0.00 0.00 -0.02 0.00 0.00 35.03 34.60 2mjp n LYS 145 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2mjp n GLY 146 N -0.26 0.60 3.94 0.72 0.00 -1.15 -4.98 105.19 104.06 2mjp n GLY 146 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2mjp n GLY 146 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2mjp s TYR 147 N -2.00 3.44 0.15 1.61 2.02 -0.92 -4.98 117.35 116.67 2mjp s TYR 147 Ca 0.00 0.41 0.00 0.00 -0.37 0.00 0.00 57.07 57.11 2mjp s TYR 147 Cb 0.00 -2.07 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 2mjp s TYR 147 CO 0.00 -0.07 0.00 0.41 -1.57 0.00 0.00 175.55 174.32 2mjp n GLY 148 N -1.95 -1.80 3.49 0.71 0.00 -1.26 -4.08 105.19 100.30 2mjp n GLY 148 Ca -0.02 -1.24 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 2mjp n GLY 148 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2mjp s PHE 149 N -1.22 0.26 0.00 1.61 0.40 -1.26 -4.98 117.98 112.79 2mjp s PHE 149 Ca 0.00 -0.61 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 2mjp s PHE 149 Cb 0.00 0.16 0.00 0.00 0.51 0.00 0.00 43.02 43.69 2mjp s PHE 149 CO 0.00 -0.88 0.00 0.00 0.70 0.00 0.00 175.22 175.04 2mjp n ALA 150 N -0.32 0.00 1.56 5.36 0.00 -1.26 -2.06 120.51 123.80 2mjp n ALA 150 Ca -0.06 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.46 2mjp n ALA 150 Cb 0.62 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.43 2mjp n ALA 150 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2mjp n TYR 151 N 5.31 0.14 0.15 0.00 4.01 -1.26 -4.18 117.16 121.33 2mjp n TYR 151 Ca 0.00 -0.07 0.14 0.00 -0.16 0.00 0.00 57.90 57.81 2mjp n TYR 151 Cb 0.00 0.00 0.68 0.00 -0.31 0.00 0.00 39.34 39.71 2mjp n TYR 151 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2mjp h ASP 152 N 1.10 0.00 -0.22 7.72 3.45 -1.78 -1.84 116.42 124.85 2mjp h ASP 152 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2mjp h ASP 152 Cb 0.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 2mjp h ASP 152 CO 0.00 0.00 0.00 -1.54 -1.57 0.00 0.00 179.24 176.13 2mjp n SER 153 N -4.42 1.24 0.00 6.45 3.41 -1.26 -1.61 113.62 117.43 2mjp n SER 153 Ca 0.03 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 2mjp n SER 153 Cb 0.32 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2mjp n SER 153 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2mjp n ILE 154 N 0.14 0.18 -4.08 -1.33 -5.35 -0.71 -1.07 119.36 107.14 2mjp n ILE 154 Ca 0.07 -0.24 -0.35 0.00 -0.27 0.00 0.00 62.75 61.96 2mjp n ILE 154 Cb 0.20 1.19 -0.13 0.00 -1.74 0.00 0.00 39.64 39.17 2mjp n ILE 154 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 2mjp s PHE 155 N -0.18 3.00 -0.35 4.28 2.19 -1.11 0.19 117.98 126.00 2mjp s PHE 155 Ca 0.00 -0.59 -0.08 0.00 0.33 0.00 0.00 56.93 56.59 2mjp s PHE 155 Cb 0.00 -2.07 0.04 0.00 -1.31 0.00 0.00 43.02 39.67 2mjp s PHE 155 CO 0.00 -0.32 0.13 0.42 1.83 0.00 0.00 175.22 177.28 2mjp s ILE 156 N 1.08 3.98 0.13 3.12 1.01 -0.29 -1.03 121.20 129.20 2mjp s ILE 156 Ca 0.02 -1.06 -0.02 0.00 0.00 0.00 0.00 60.65 59.59 2mjp s ILE 156 Cb -0.14 -3.24 0.03 0.00 0.01 0.00 0.00 42.46 39.11 2mjp s ILE 156 CO 0.01 -0.19 0.07 -0.81 0.00 0.00 0.00 174.94 174.02 2mjp n PRO 157 N 4.86 -1.23 0.00 2.79 -0.04 -1.26 -2.02 135.00 138.09 2mjp n PRO 157 Ca -0.12 -0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 2mjp n PRO 157 Cb 0.45 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.73 2mjp n PRO 157 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2mjp n GLU 158 N -1.73 0.00 -2.63 0.54 1.02 -1.01 -3.73 120.64 113.10 2mjp n GLU 158 Ca 0.01 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.85 2mjp n GLU 158 Cb 0.05 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.46 2mjp n GLU 158 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2mjp n GLU 159 N 0.00 3.51 -4.09 3.49 4.07 -1.26 -4.83 120.64 121.54 2mjp n GLU 159 Ca 0.00 -4.58 -0.27 0.00 -0.06 0.00 0.00 57.16 52.25 2mjp n GLU 159 Cb 0.00 -2.27 -0.04 0.00 -0.06 0.00 0.00 31.44 29.07 2mjp n GLU 159 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2mjp s GLU 160 N -3.66 2.25 0.00 5.31 8.01 -1.24 -5.04 118.70 124.33 2mjp s GLU 160 Ca 0.48 -2.03 0.04 0.00 0.01 0.00 0.00 54.97 53.47 2mjp s GLU 160 Cb 0.33 -1.98 -0.00 0.00 -4.31 0.00 0.00 34.13 28.17 2mjp s GLU 160 CO -0.19 -0.44 0.39 0.39 0.01 0.00 0.00 175.26 175.42 2mjp n GLU 161 N -1.54 2.69 -4.17 1.61 4.71 -1.26 -4.86 120.64 117.81 2mjp n GLU 161 Ca -0.05 -0.37 -0.29 0.00 -0.01 0.00 0.00 57.16 56.45 2mjp n GLU 161 Cb 0.65 -0.87 -0.08 0.00 -1.01 0.00 0.00 31.44 30.12 2mjp n GLU 161 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2mjp s ARG 162 N -0.82 2.41 0.86 3.49 0.52 -1.26 -5.07 118.95 119.08 2mjp s ARG 162 Ca 0.03 -0.95 -0.13 0.00 -0.52 0.00 0.00 55.73 54.15 2mjp s ARG 162 Cb 0.03 -2.44 0.12 0.00 0.52 0.00 0.00 34.95 33.18 2mjp s ARG 162 CO 0.09 0.51 1.22 0.95 0.02 0.00 0.00 175.30 178.10 2mjp s THR 163 N -1.39 2.00 0.36 0.02 -4.23 -1.26 -4.24 115.64 106.90 2mjp s THR 163 Ca 0.25 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.80 2mjp s THR 163 Cb -0.11 -2.99 0.24 0.00 1.34 0.00 0.00 72.50 70.98 2mjp s THR 163 CO 0.17 0.00 1.99 -0.26 -0.54 0.00 0.00 174.62 175.99 2mjp h PHE 164 N -1.27 0.68 0.00 3.99 0.04 -0.09 -2.08 116.94 118.20 2mjp h PHE 164 Ca -0.46 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.31 2mjp h PHE 164 Cb 1.30 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 39.23 2mjp h PHE 164 CO -0.17 0.47 0.00 0.00 -0.60 0.00 0.00 178.31 178.01 2mjp n ALA 165 N -2.46 1.71 0.66 2.45 0.00 -0.71 -2.16 120.51 120.00 2mjp n ALA 165 Ca 0.04 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.57 2mjp n ALA 165 Cb 0.09 -1.29 0.12 0.00 0.00 0.00 0.00 19.45 18.36 2mjp n ALA 165 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2mjp n GLU 166 N -1.71 1.99 -4.40 0.00 1.02 -0.79 -1.09 120.64 115.66 2mjp n GLU 166 Ca 0.03 -1.85 -0.31 0.00 -0.02 0.00 0.00 57.16 55.02 2mjp n GLU 166 Cb 0.20 -1.41 -0.11 0.00 -0.02 0.00 0.00 31.44 30.11 2mjp n GLU 166 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2mjp s MET 167 N -1.59 2.29 0.57 3.49 -1.94 -0.92 -4.86 119.30 116.35 2mjp s MET 167 Ca 0.27 -0.90 -0.14 0.00 -1.71 0.00 0.00 55.69 53.21 2mjp s MET 167 Cb 0.18 -2.36 -0.06 0.00 2.01 0.00 0.00 34.83 34.60 2mjp s MET 167 CO 0.26 0.55 1.01 0.99 -0.01 0.00 0.00 175.02 177.82 2mjp s THR 168 N -1.08 4.59 0.30 2.05 2.01 -1.26 -4.73 115.64 117.52 2mjp s THR 168 Ca 0.19 1.03 0.04 0.00 0.31 0.00 0.00 61.69 63.26 2mjp s THR 168 Cb -0.11 -3.78 0.30 0.00 0.01 0.00 0.00 72.50 68.92 2mjp s THR 168 CO 0.10 -0.92 1.67 0.74 -0.69 0.00 0.00 174.62 175.52 2mjp h THR 169 N 0.26 0.38 0.55 -0.82 2.02 -1.96 -0.00 112.91 113.33 2mjp h THR 169 Ca -0.45 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 2mjp h THR 169 Cb 1.19 0.05 0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2mjp h THR 169 CO 0.62 0.06 -0.26 1.05 0.37 0.00 0.00 175.52 177.35 2mjp h GLU 170 N 0.30 -0.71 -1.15 6.66 9.09 -2.00 -3.16 114.58 123.61 2mjp h GLU 170 Ca 0.58 0.05 0.42 0.00 0.05 0.00 0.00 59.36 60.46 2mjp h GLU 170 Cb 1.16 0.16 -0.16 0.00 -1.65 0.00 0.00 28.75 28.26 2mjp h GLU 170 CO -0.59 -0.40 0.69 0.93 0.05 0.00 0.00 179.01 179.69 2mjp h GLU 171 N -1.01 0.06 -1.01 1.06 5.08 -1.37 1.47 114.58 118.86 2mjp h GLU 171 Ca -0.07 -0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.72 2mjp h GLU 171 Cb 0.63 -0.01 -0.29 0.00 0.50 0.00 0.00 28.75 29.58 2mjp h GLU 171 CO 0.12 0.04 0.72 0.36 -1.00 0.00 0.00 179.01 179.26 2mjp n LYS 172 N -4.99 2.37 -0.02 2.33 2.85 -0.89 -4.45 118.16 115.36 2mjp n LYS 172 Ca 0.37 -3.01 0.03 0.00 -1.05 0.00 0.00 58.31 54.66 2mjp n LYS 172 Cb 1.34 -2.18 0.38 0.00 -0.65 0.00 0.00 35.03 33.92 2mjp n LYS 172 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2mjp h SER 173 N 1.36 0.51 0.03 -5.58 0.87 0.21 -3.17 113.55 107.78 2mjp h SER 173 Ca 0.61 -0.03 -0.33 0.00 -1.23 0.00 0.00 61.79 60.81 2mjp h SER 173 Cb 2.02 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 63.81 2mjp h SER 173 CO 1.26 0.41 -1.82 0.00 -0.53 0.00 0.00 176.83 176.14 2mjp n GLN 174 N -4.43 0.63 -0.96 2.24 3.00 -1.26 -4.46 117.38 112.13 2mjp n GLN 174 Ca 0.03 0.39 -0.11 0.00 -0.01 0.00 0.00 57.00 57.30 2mjp n GLN 174 Cb 0.09 -1.67 -0.13 0.00 0.00 0.00 0.00 30.24 28.54 2mjp n GLN 174 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 2mjp n ILE 175 N -4.03 2.86 -4.10 5.09 -5.35 -1.20 -4.83 119.36 107.80 2mjp n ILE 175 Ca -0.38 -1.47 -0.33 0.00 -0.27 0.00 0.00 62.75 60.31 2mjp n ILE 175 Cb 0.85 -1.87 -0.16 0.00 -1.74 0.00 0.00 39.64 36.72 2mjp n ILE 175 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2mjp s SER 176 N 1.83 3.52 0.32 7.28 0.15 -1.20 -4.94 113.70 120.65 2mjp s SER 176 Ca 0.55 -0.87 0.03 0.00 0.70 0.00 0.00 55.95 56.35 2mjp s SER 176 Cb 0.27 -1.49 0.55 0.00 -1.71 0.00 0.00 66.02 63.64 2mjp s SER 176 CO -0.02 -0.06 1.86 1.12 1.20 0.00 0.00 173.24 177.34 2mjp h HIS 177 N 7.89 0.63 -0.44 3.44 2.07 -1.88 -1.11 115.15 125.75 2mjp h HIS 177 Ca -0.38 -0.06 -0.01 0.00 -2.85 0.00 0.00 60.37 57.07 2mjp h HIS 177 Cb 1.11 -0.18 -0.02 0.00 2.57 0.00 0.00 27.41 30.89 2mjp h HIS 177 CO 0.52 0.59 0.22 0.00 -3.07 0.00 0.00 177.93 176.19 2mjp h ARG 178 N 0.59 0.63 -0.12 5.12 3.08 -1.93 -1.60 114.38 120.16 2mjp h ARG 178 Ca 0.13 -0.09 -0.23 0.00 0.07 0.00 0.00 59.98 59.85 2mjp h ARG 178 Cb 0.32 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.27 2mjp h ARG 178 CO 0.01 0.54 -0.84 0.87 -1.07 0.00 0.00 179.97 179.47 2mjp h LYS 179 N 0.58 0.76 -0.81 0.04 6.56 -1.89 -2.64 116.57 119.17 2mjp h LYS 179 Ca 0.15 -0.66 0.12 0.00 -1.06 0.00 0.00 60.65 59.20 2mjp h LYS 179 Cb 0.10 0.15 -0.08 0.00 -0.57 0.00 0.00 32.23 31.83 2mjp h LYS 179 CO -0.02 1.26 0.42 0.87 -2.06 0.00 0.00 179.45 179.92 2mjp h LYS 180 N 0.50 0.64 -0.62 3.15 1.57 -1.08 0.90 116.57 121.62 2mjp h LYS 180 Ca -0.07 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 2mjp h LYS 180 Cb 1.48 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.62 2mjp h LYS 180 CO 0.17 0.42 0.07 0.00 -0.57 0.00 0.00 179.45 179.55 2mjp h ALA 181 N 1.50 0.95 -0.02 3.86 0.00 -1.27 -2.46 119.26 121.82 2mjp h ALA 181 Ca 0.42 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 2mjp h ALA 181 Cb 0.51 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2mjp h ALA 181 CO -0.31 0.65 -0.76 0.74 0.00 0.00 0.00 179.25 179.57 2mjp h PHE 182 N 0.97 0.24 -0.46 0.00 0.04 -0.54 -2.59 116.94 114.60 2mjp h PHE 182 Ca 0.19 -0.11 -0.08 0.00 2.80 0.00 0.00 57.97 60.76 2mjp h PHE 182 Cb 0.45 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 2mjp h PHE 182 CO 0.03 0.86 -0.04 0.93 -0.60 0.00 0.00 178.31 179.49 2mjp h GLU 183 N 0.11 0.78 -0.65 1.51 4.39 0.82 -0.37 114.58 121.16 2mjp h GLU 183 Ca -0.02 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.45 2mjp h GLU 183 Cb 1.33 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.87 2mjp h GLU 183 CO 0.11 0.81 0.41 0.93 -1.16 0.00 0.00 179.01 180.12 2mjp h GLU 184 N 0.72 0.87 -0.39 2.33 4.39 -1.31 -2.40 114.58 118.80 2mjp h GLU 184 Ca 0.13 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 2mjp h GLU 184 Cb 0.50 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2mjp h GLU 184 CO 0.03 0.60 -0.04 0.35 -1.16 0.00 0.00 179.01 178.79 2mjp h PHE 185 N 0.89 0.69 0.00 4.33 -0.00 -0.99 -2.87 116.94 118.98 2mjp h PHE 185 Ca 0.24 -0.09 -0.06 0.00 -0.00 0.00 0.00 57.97 58.05 2mjp h PHE 185 Cb -0.06 -0.19 -0.01 0.00 -0.00 0.00 0.00 35.95 35.69 2mjp h PHE 185 CO -0.02 0.68 -0.30 -0.22 -0.00 0.00 0.00 178.31 178.45 2mjp h LYS 186 N 0.61 0.00 0.00 1.11 3.64 -0.62 -2.30 116.57 119.01 2mjp h LYS 186 Ca 0.12 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 2mjp h LYS 186 Cb 0.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2mjp h LYS 186 CO 0.02 0.30 -0.31 0.87 -2.27 0.00 0.00 179.45 178.06 2mjp h LYS 187 N 0.00 0.00 0.00 1.90 1.57 -1.22 -1.12 116.57 117.71 2mjp h LYS 187 Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 2mjp h LYS 187 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 2mjp h LYS 187 CO 0.04 0.31 -0.72 0.35 -0.57 0.00 0.00 179.45 178.86 2mjp h PHE 188 N 0.00 0.00 0.18 -1.35 3.04 -1.39 -3.14 116.94 114.28 2mjp h PHE 188 Ca -0.00 0.00 -0.29 0.00 3.98 0.00 0.00 57.97 61.66 2mjp h PHE 188 Cb 1.12 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.65 2mjp h PHE 188 CO 0.00 0.64 -1.35 -0.07 -2.02 0.00 0.00 178.31 175.50 2mjp h LEU 189 N 0.00 0.60 -2.09 0.59 3.38 -1.37 -3.24 115.31 113.19 2mjp h LEU 189 Ca -0.02 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.03 2mjp h LEU 189 Cb 1.51 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2mjp h LEU 189 CO 0.08 1.63 0.19 -0.07 0.09 0.00 0.00 178.44 180.36 2mjp h LEU 190 N -0.10 0.00 0.00 1.67 3.38 -1.24 0.36 115.31 119.39 2mjp h LEU 190 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2mjp h LEU 190 Cb 1.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.68 2mjp h LEU 190 CO 0.18 0.00 -0.76 0.47 0.09 0.00 0.00 178.44 178.42 2mjp n ASP 191 N -2.77 0.73 -4.40 -0.43 8.00 -1.19 -4.85 116.55 111.65 2mjp n ASP 191 Ca -0.02 -0.58 -0.35 0.00 0.71 0.00 0.00 54.79 54.55 2mjp n ASP 191 Cb 0.24 0.62 -0.13 0.00 -0.02 0.00 0.00 41.12 41.83 2mjp n ASP 191 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2mjp s ARG 192 N -3.01 3.51 0.00 -1.24 3.00 0.11 -5.12 118.95 116.21 2mjp s ARG 192 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 55.73 55.25 2mjp s ARG 192 Cb 0.17 -2.99 0.00 0.00 0.00 0.00 0.00 34.95 32.13 2mjp s ARG 192 CO 0.78 -0.02 0.00 0.44 0.00 0.00 0.00 175.30 176.51