#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1obp s GLU 3 N 0.00 2.19 0.46 2.61 -1.05 -1.26 -5.08 118.70 116.57 1obp s GLU 3 Ca 0.00 -0.03 0.06 0.00 -0.15 0.00 0.00 54.97 54.86 1obp s GLU 3 Cb 0.00 -2.07 0.02 0.00 -0.44 0.00 0.00 34.13 31.64 1obp s GLU 3 CO 0.00 -1.34 0.64 -1.21 0.95 0.00 0.00 175.26 174.29 1obp s GLU 4 N -5.38 2.72 0.34 -4.83 0.41 -1.26 -5.08 118.70 105.62 1obp s GLU 4 Ca 0.60 -1.16 -0.29 0.00 -0.41 0.00 0.00 54.97 53.72 1obp s GLU 4 Cb -0.11 -2.69 -0.11 0.00 -1.78 0.00 0.00 34.13 29.45 1obp s GLU 4 CO 0.47 -0.42 1.39 -2.00 -0.49 0.00 0.00 175.26 174.21 1obp s GLU 5 N -4.47 4.25 -0.28 1.61 2.56 -1.26 -5.01 118.70 116.10 1obp s GLU 5 Ca 0.56 2.37 -0.16 0.00 0.00 0.00 0.00 54.97 57.74 1obp s GLU 5 Cb -0.10 -3.03 -0.03 0.00 2.00 0.00 0.00 34.13 32.97 1obp s GLU 5 CO 0.35 -0.35 0.43 0.00 -0.56 0.00 0.00 175.26 175.13 1obp s ALA 6 N -1.04 3.56 -0.41 6.30 0.00 -1.26 -5.02 121.76 123.89 1obp s ALA 6 Ca 0.51 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 51.41 1obp s ALA 6 Cb -0.43 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1obp s ALA 6 CO 0.56 -0.75 1.51 -2.00 0.00 0.00 0.00 175.76 175.08 1obp s GLU 7 N 2.18 3.48 -0.33 0.00 2.56 -1.26 -4.96 118.70 120.35 1obp s GLU 7 Ca 0.17 1.00 -0.02 0.00 0.00 0.00 0.00 54.97 56.13 1obp s GLU 7 Cb -0.16 -4.08 0.07 0.00 2.00 0.00 0.00 34.13 31.96 1obp s GLU 7 CO 0.10 -1.69 0.06 -1.14 -0.56 0.00 0.00 175.26 172.03 1obp s GLN 8 N 5.20 2.26 -0.59 4.30 -0.44 -1.26 -5.02 119.66 124.11 1obp s GLN 8 Ca 0.65 -1.45 0.04 0.00 -2.50 0.00 0.00 55.36 52.10 1obp s GLN 8 Cb -0.15 -3.30 0.15 0.00 -1.64 0.00 0.00 33.01 28.06 1obp s GLN 8 CO 0.32 -0.77 0.36 -0.80 0.50 0.00 0.00 175.29 174.90 1obp s ASN 9 N 1.40 4.39 0.00 6.67 0.02 -1.26 -4.87 114.94 121.28 1obp s ASN 9 Ca -0.00 -3.33 0.17 0.00 -1.02 0.00 0.00 52.86 48.68 1obp s ASN 9 Cb -0.21 -1.56 0.25 0.00 0.02 0.00 0.00 41.25 39.76 1obp s ASN 9 CO -0.02 -0.17 1.17 0.18 0.02 0.00 0.00 177.10 178.28 1obp n LEU 10 N 2.67 2.80 -0.28 0.60 4.32 -1.26 -4.66 117.00 121.19 1obp n LEU 10 Ca 0.12 -1.32 0.02 0.00 -0.02 0.00 0.00 56.01 54.80 1obp n LEU 10 Cb 0.34 -0.12 0.15 0.00 -1.62 0.00 0.00 43.42 42.17 1obp n LEU 10 CO 0.30 0.57 1.14 -1.28 -1.22 0.00 0.00 177.39 176.90 1obp h SER 11 N 3.39 0.68 0.00 -1.43 0.87 -1.90 -2.18 113.55 112.99 1obp h SER 11 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1obp h SER 11 Cb 0.78 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1obp h SER 11 CO 0.00 0.41 0.00 -0.62 -0.53 0.00 0.00 176.83 176.09 1obp n GLU 12 N -4.73 0.78 0.00 2.24 -0.58 -1.26 -2.54 120.64 114.55 1obp n GLU 12 Ca 0.12 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.99 1obp n GLU 12 Cb 0.24 -1.43 0.34 0.00 -0.57 0.00 0.00 31.44 30.02 1obp n GLU 12 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1obp n LEU 13 N -0.93 0.53 -4.70 -4.62 4.32 -0.82 -4.93 117.00 105.86 1obp n LEU 13 Ca 0.16 0.01 -0.36 0.00 -0.02 0.00 0.00 56.01 55.81 1obp n LEU 13 Cb 0.07 -0.25 0.09 0.00 -1.62 0.00 0.00 43.42 41.71 1obp n LEU 13 CO 0.12 0.12 0.79 -1.20 -1.22 0.00 0.00 177.39 176.01 1obp n SER 14 N -1.31 1.50 0.00 -1.43 7.64 -1.05 -4.91 113.62 114.06 1obp n SER 14 Ca 0.08 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.69 1obp n SER 14 Cb 0.33 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.02 1obp n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1obp n GLY 15 N 0.87 0.97 3.73 0.23 0.00 0.64 -4.98 105.19 106.64 1obp n GLY 15 Ca 0.15 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1obp n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1obp s PRO 16 N -2.00 4.51 0.10 1.61 0.04 -1.26 -0.91 135.00 137.09 1obp s PRO 16 Ca 0.00 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.80 1obp s PRO 16 Cb 0.00 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 1obp s PRO 16 CO 0.00 -0.10 -0.08 -1.58 0.04 0.00 0.00 177.00 175.28 1obp s TRP 17 N 0.43 0.97 0.08 0.56 0.52 -0.99 -1.74 118.94 118.77 1obp s TRP 17 Ca 0.54 -0.75 0.03 0.00 0.02 0.00 0.00 56.10 55.94 1obp s TRP 17 Cb -0.29 -0.54 -0.03 0.00 -1.15 0.00 0.00 33.47 31.46 1obp s TRP 17 CO 0.32 -0.06 -0.10 1.03 0.02 0.00 0.00 176.95 178.16 1obp s ARG 18 N -3.18 0.75 0.09 4.98 1.81 -0.34 -3.34 118.95 119.72 1obp s ARG 18 Ca 0.07 -1.03 -0.29 0.00 -1.72 0.00 0.00 55.73 52.77 1obp s ARG 18 Cb 0.00 -0.48 -0.05 0.00 -0.45 0.00 0.00 34.95 33.96 1obp s ARG 18 CO -0.02 0.08 0.92 0.99 -0.68 0.00 0.00 175.30 176.59 1obp s THR 19 N -2.05 4.58 -0.15 0.02 2.01 -1.26 -1.56 115.64 117.23 1obp s THR 19 Ca 0.00 1.98 -0.13 0.00 0.31 0.00 0.00 61.69 63.85 1obp s THR 19 Cb -0.05 -4.28 -0.06 0.00 0.01 0.00 0.00 72.50 68.12 1obp s THR 19 CO 0.00 0.31 -0.27 0.52 -0.69 0.00 0.00 174.62 174.49 1obp n VAL 20 N 2.88 1.37 -3.96 3.82 0.31 -0.36 -4.93 118.33 117.46 1obp n VAL 20 Ca 0.02 0.05 -0.09 0.00 -0.01 0.00 0.00 64.34 64.30 1obp n VAL 20 Cb 0.50 -2.07 -0.10 0.00 -0.91 0.00 0.00 33.84 31.26 1obp n VAL 20 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1obp s TYR 21 N -2.61 0.23 -0.08 3.52 2.02 -1.11 -5.00 117.35 114.32 1obp s TYR 21 Ca -0.25 -0.51 -0.03 0.00 -0.37 0.00 0.00 57.07 55.91 1obp s TYR 21 Cb 0.06 -0.17 0.04 0.00 -0.40 0.00 0.00 41.96 41.49 1obp s TYR 21 CO 0.35 -0.27 0.17 0.42 -1.57 0.00 0.00 175.55 174.64 1obp s ILE 22 N -2.00 -0.17 0.19 2.71 1.01 -1.26 -1.51 121.20 120.17 1obp s ILE 22 Ca -0.11 0.27 0.07 0.00 0.00 0.00 0.00 60.65 60.88 1obp s ILE 22 Cb -0.05 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 1obp s ILE 22 CO -0.02 0.11 0.05 -0.83 0.00 0.00 0.00 174.94 174.25 1obp s GLY 23 N 1.79 1.68 -0.06 6.18 0.00 0.31 -4.97 107.32 112.25 1obp s GLY 23 Ca -0.03 -1.38 -0.12 0.00 0.00 0.00 0.00 44.72 43.20 1obp s GLY 23 CO -0.06 -1.40 0.28 -0.45 0.00 0.00 0.00 173.10 171.47 1obp s SER 24 N -3.16 -0.23 0.40 1.64 0.15 -1.26 -2.03 113.70 109.20 1obp s SER 24 Ca 0.29 0.33 0.21 0.00 0.70 0.00 0.00 55.95 57.48 1obp s SER 24 Cb -0.09 0.46 0.69 0.00 -1.71 0.00 0.00 66.02 65.37 1obp s SER 24 CO 0.20 -0.25 1.73 0.71 1.20 0.00 0.00 173.24 176.83 1obp h THR 25 N 4.35 0.66 -3.73 6.45 1.35 -1.65 -3.38 112.91 116.96 1obp h THR 25 Ca -0.28 -1.41 -0.65 0.00 -0.55 0.00 0.00 66.41 63.52 1obp h THR 25 Cb 1.19 1.93 -0.39 0.00 -1.73 0.00 0.00 68.15 69.15 1obp h THR 25 CO 0.36 0.30 -0.76 0.21 -0.25 0.00 0.00 175.52 175.37 1obp s ASN 26 N -6.29 4.51 0.54 5.36 3.84 -1.26 -5.00 114.94 116.63 1obp s ASN 26 Ca 0.01 -1.73 0.24 0.00 0.21 0.00 0.00 52.86 51.59 1obp s ASN 26 Cb 0.10 -1.51 1.40 0.00 -0.55 0.00 0.00 41.25 40.69 1obp s ASN 26 CO 0.67 -0.29 2.04 1.55 -2.79 0.00 0.00 177.10 178.27 1obp h PRO 27 N 7.73 0.00 0.00 0.43 0.13 -2.00 -2.19 132.00 136.10 1obp h PRO 27 Ca -0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 1obp h PRO 27 Cb 1.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1obp h PRO 27 CO 0.48 0.00 -0.06 0.93 -0.23 0.00 0.00 178.00 179.12 1obp h GLU 28 N 0.00 0.00 0.00 0.86 5.08 -1.96 -2.25 114.58 116.31 1obp h GLU 28 Ca 0.18 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 1obp h GLU 28 Cb 0.75 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1obp h GLU 28 CO -0.00 0.06 -0.55 0.87 -1.00 0.00 0.00 179.01 178.39 1obp h LYS 29 N 0.00 0.00 -0.07 2.33 1.79 -1.79 -3.30 116.57 115.53 1obp h LYS 29 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1obp h LYS 29 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1obp h LYS 29 CO 0.01 0.55 0.00 0.44 -1.08 0.00 0.00 179.45 179.37 1obp n ILE 30 N -3.60 0.19 -1.54 1.86 -5.35 -0.91 -1.21 119.36 108.80 1obp n ILE 30 Ca -0.00 -0.60 -0.29 0.00 -0.27 0.00 0.00 62.75 61.59 1obp n ILE 30 Cb 0.62 1.06 0.16 0.00 -1.74 0.00 0.00 39.64 39.74 1obp n ILE 30 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1obp s GLN 31 N -0.82 0.66 0.08 6.28 -0.21 -0.89 -4.58 119.66 120.17 1obp s GLN 31 Ca 0.13 0.09 -0.35 0.00 0.02 0.00 0.00 55.36 55.25 1obp s GLN 31 Cb 0.08 -1.80 -0.14 0.00 1.00 0.00 0.00 33.01 32.15 1obp s GLN 31 CO 0.12 -2.49 1.60 0.39 -2.12 0.00 0.00 175.29 172.80 1obp n GLU 32 N -3.93 1.95 -0.81 2.91 1.02 -1.26 0.12 120.64 120.64 1obp n GLU 32 Ca 0.09 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 1obp n GLU 32 Cb 0.59 -2.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 1obp n GLU 32 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1obp n ASN 33 N 3.95 -0.75 -4.77 1.62 4.05 -1.26 -5.04 115.26 113.06 1obp n ASN 33 Ca 0.19 0.00 -0.39 0.00 0.45 0.00 0.00 54.58 54.83 1obp n ASN 33 Cb 0.27 -0.12 -0.05 0.00 1.23 0.00 0.00 39.78 41.10 1obp n ASN 33 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1obp s GLY 34 N -1.87 2.94 0.60 8.20 0.00 0.12 -4.80 107.32 112.51 1obp s GLY 34 Ca 0.00 0.69 0.40 0.00 0.00 0.00 0.00 44.72 45.81 1obp s GLY 34 CO 0.00 1.21 2.21 -0.56 0.00 0.00 0.00 173.10 175.95 1obp h PRO 35 N 3.43 0.00 -0.61 2.90 0.13 -1.82 -2.87 132.00 133.15 1obp h PRO 35 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1obp h PRO 35 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1obp h PRO 35 CO 0.66 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.62 1obp n PHE 36 N -3.01 1.03 -2.44 1.56 3.72 -0.35 -4.68 117.46 113.30 1obp n PHE 36 Ca -0.02 -0.55 -0.43 0.00 -0.05 0.00 0.00 57.45 56.40 1obp n PHE 36 Cb 0.14 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 1obp n PHE 36 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1obp n ARG 37 N 1.16 3.37 -3.70 -1.08 0.63 -1.09 -4.80 116.66 111.16 1obp n ARG 37 Ca 0.22 -3.43 -0.37 0.00 -0.92 0.00 0.00 57.85 53.35 1obp n ARG 37 Cb 0.68 -3.09 -0.11 0.00 0.45 0.00 0.00 32.46 30.39 1obp n ARG 37 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1obp s THR 38 N 1.67 4.92 -0.55 5.15 -4.23 -1.26 -4.63 115.64 116.72 1obp s THR 38 Ca 0.44 0.03 -0.19 0.00 -1.18 0.00 0.00 61.69 60.79 1obp s THR 38 Cb 0.06 -3.31 0.08 0.00 1.34 0.00 0.00 72.50 70.67 1obp s THR 38 CO -0.00 0.32 0.67 -0.31 -0.54 0.00 0.00 174.62 174.75 1obp s TYR 39 N 1.47 3.02 0.57 3.99 1.51 -0.54 -4.77 117.35 122.59 1obp s TYR 39 Ca 0.06 -0.75 -0.20 0.00 -1.01 0.00 0.00 57.07 55.18 1obp s TYR 39 Cb -0.15 -3.78 -0.04 0.00 -0.11 0.00 0.00 41.96 37.88 1obp s TYR 39 CO 0.07 -1.17 1.26 -0.06 -1.11 0.00 0.00 175.55 174.53 1obp s PHE 40 N 2.68 2.36 0.00 2.71 0.40 -1.26 -1.16 117.98 123.72 1obp s PHE 40 Ca 0.13 1.47 0.00 0.00 -0.60 0.00 0.00 56.93 57.93 1obp s PHE 40 Cb -0.22 -3.60 0.00 0.00 0.51 0.00 0.00 43.02 39.71 1obp s PHE 40 CO 0.09 -2.46 0.00 0.54 0.70 0.00 0.00 175.22 174.09 1obp n ARG 41 N -1.34 0.00 -3.63 0.44 1.74 -0.34 -4.47 116.66 109.06 1obp n ARG 41 Ca 0.12 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 57.05 1obp n ARG 41 Cb 0.48 -0.73 -0.07 0.00 -1.02 0.00 0.00 32.46 31.12 1obp n ARG 41 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1obp s GLU 42 N -1.88 0.87 -0.03 5.56 2.56 -1.11 -2.35 118.70 122.32 1obp s GLU 42 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 54.97 55.10 1obp s GLU 42 Cb 0.00 0.40 0.01 0.00 2.00 0.00 0.00 34.13 36.54 1obp s GLU 42 CO 0.00 -0.25 -0.08 -0.51 -0.56 0.00 0.00 175.26 173.86 1obp s LEU 43 N -1.14 1.68 -0.16 2.70 1.43 -0.08 -2.04 118.68 121.07 1obp s LEU 43 Ca -0.11 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1obp s LEU 43 Cb -0.02 -0.55 0.03 0.00 0.03 0.00 0.00 46.19 45.68 1obp s LEU 43 CO 0.07 0.04 -0.10 -0.69 0.23 0.00 0.00 176.35 175.90 1obp s VAL 44 N 0.38 1.39 -0.21 -1.59 1.01 -0.99 -0.26 120.40 120.13 1obp s VAL 44 Ca -0.06 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 1obp s VAL 44 Cb -0.10 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1obp s VAL 44 CO 0.01 0.27 0.10 -0.36 0.00 0.00 0.00 175.10 175.12 1obp s PHE 45 N 1.53 3.29 -0.38 5.22 0.40 -1.26 -1.08 117.98 125.70 1obp s PHE 45 Ca 0.02 0.13 -0.00 0.00 -0.60 0.00 0.00 56.93 56.48 1obp s PHE 45 Cb -0.14 -2.16 0.11 0.00 0.51 0.00 0.00 43.02 41.33 1obp s PHE 45 CO -0.09 0.12 0.14 0.34 0.70 0.00 0.00 175.22 176.44 1obp s ASP 46 N 0.64 5.06 0.49 1.36 -1.08 -0.33 -4.38 116.67 118.42 1obp s ASP 46 Ca 0.05 -2.09 0.13 0.00 -0.52 0.00 0.00 52.55 50.13 1obp s ASP 46 Cb -0.13 -1.75 1.14 0.00 -1.46 0.00 0.00 42.92 40.73 1obp s ASP 46 CO 0.01 -0.48 2.12 0.44 0.52 0.00 0.00 175.17 177.79 1obp h ASP 47 N 7.86 0.15 0.49 -0.34 3.32 -1.90 0.82 116.42 126.83 1obp h ASP 47 Ca -0.09 -0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.73 1obp h ASP 47 Cb 1.04 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 1obp h ASP 47 CO 0.63 0.11 -0.98 -0.33 -1.72 0.00 0.00 179.24 176.94 1obp h GLU 48 N 0.17 0.30 -0.01 3.56 5.08 -1.94 -3.27 114.58 118.48 1obp h GLU 48 Ca 0.05 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1obp h GLU 48 Cb -0.01 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1obp h GLU 48 CO -0.01 1.07 -0.61 1.63 -1.00 0.00 0.00 179.01 180.09 1obp n LYS 49 N -3.66 0.58 -3.41 2.33 4.76 -1.11 -4.99 118.16 112.66 1obp n LYS 49 Ca -0.06 -0.45 -0.18 0.00 -2.87 0.00 0.00 58.31 54.76 1obp n LYS 49 Cb 0.87 -1.49 0.08 0.00 -1.84 0.00 0.00 35.03 32.65 1obp n LYS 49 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1obp n GLY 50 N 1.44 -0.36 3.40 0.72 0.00 0.25 -4.83 105.19 105.81 1obp n GLY 50 Ca 0.08 0.11 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1obp n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1obp s THR 51 N -3.34 1.33 -0.04 2.61 -4.23 -0.98 -0.84 115.64 110.16 1obp s THR 51 Ca 0.13 -2.06 -0.01 0.00 -1.18 0.00 0.00 61.69 58.56 1obp s THR 51 Cb -0.06 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.31 1obp s THR 51 CO 0.70 -0.23 0.07 -0.69 -0.54 0.00 0.00 174.62 173.92 1obp s VAL 52 N -3.22 -0.10 -0.16 2.29 1.01 -0.66 -1.19 120.40 118.38 1obp s VAL 52 Ca 0.31 0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.53 1obp s VAL 52 Cb 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.26 1obp s VAL 52 CO 0.12 0.13 0.04 -1.81 0.00 0.00 0.00 175.10 173.57 1obp s ASP 53 N 1.60 5.46 -0.14 3.32 1.01 -0.24 -0.26 116.67 127.42 1obp s ASP 53 Ca -0.03 0.08 -0.03 0.00 0.71 0.00 0.00 52.55 53.27 1obp s ASP 53 Cb -0.12 -1.86 -0.03 0.00 1.01 0.00 0.00 42.92 41.91 1obp s ASP 53 CO -0.04 0.22 -0.02 -0.36 0.21 0.00 0.00 175.17 175.18 1obp s PHE 54 N 0.08 3.07 -0.12 4.23 0.40 0.15 -2.36 117.98 123.44 1obp s PHE 54 Ca 0.04 -0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.26 1obp s PHE 54 Cb -0.12 -1.92 0.02 0.00 0.51 0.00 0.00 43.02 41.50 1obp s PHE 54 CO 0.01 0.13 -0.15 0.71 0.70 0.00 0.00 175.22 176.61 1obp s TYR 55 N 0.00 2.04 0.26 0.36 2.02 -0.86 -1.14 117.35 120.02 1obp s TYR 55 Ca 0.02 -1.00 -0.19 0.00 -0.37 0.00 0.00 57.07 55.53 1obp s TYR 55 Cb -0.13 -1.47 0.02 0.00 -0.40 0.00 0.00 41.96 39.98 1obp s TYR 55 CO 0.02 -0.52 0.64 -0.59 -1.57 0.00 0.00 175.55 173.53 1obp s PHE 56 N 1.07 -0.09 0.07 2.71 -0.12 -0.60 -1.20 117.98 119.83 1obp s PHE 56 Ca -0.04 -0.32 0.10 0.00 -0.05 0.00 0.00 56.93 56.61 1obp s PHE 56 Cb -0.15 0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 42.76 1obp s PHE 56 CO -0.03 -1.12 -0.26 -1.12 -0.05 0.00 0.00 175.22 172.64 1obp s SER 57 N -2.92 3.12 -0.01 1.98 0.01 -0.31 -0.13 113.70 115.44 1obp s SER 57 Ca 0.13 -0.64 -0.06 0.00 1.31 0.00 0.00 55.95 56.69 1obp s SER 57 Cb -0.04 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.94 1obp s SER 57 CO 0.05 0.22 0.12 0.68 0.41 0.00 0.00 173.24 174.72 1obp s VAL 58 N -0.90 0.07 -0.28 3.43 -7.23 -0.34 -1.47 120.40 113.68 1obp s VAL 58 Ca 0.12 -0.54 -0.10 0.00 -1.81 0.00 0.00 61.98 59.65 1obp s VAL 58 Cb -0.10 -0.36 -0.03 0.00 0.56 0.00 0.00 36.38 36.45 1obp s VAL 58 CO 0.03 -0.30 0.15 -0.75 -0.31 0.00 0.00 175.10 173.92 1obp s LYS 59 N -1.03 3.69 -0.24 4.82 2.20 -1.26 0.14 119.74 128.05 1obp s LYS 59 Ca -0.11 -0.48 0.02 0.00 -0.36 0.00 0.00 55.97 55.04 1obp s LYS 59 Cb -0.06 -3.55 0.05 0.00 -1.51 0.00 0.00 37.83 32.76 1obp s LYS 59 CO 0.01 -0.26 -0.13 1.03 -0.36 0.00 0.00 175.35 175.64 1obp s ARG 60 N 1.68 2.42 -1.02 4.03 1.81 -0.21 -4.32 118.95 123.35 1obp s ARG 60 Ca 0.06 -1.22 -0.15 0.00 -1.72 0.00 0.00 55.73 52.70 1obp s ARG 60 Cb -0.16 -2.82 -0.00 0.00 -0.45 0.00 0.00 34.95 31.52 1obp s ARG 60 CO 0.08 -0.49 0.73 -3.47 -0.68 0.00 0.00 175.30 171.47 1obp n ASP 61 N 4.48 -5.49 0.00 0.23 2.03 -1.26 -2.93 116.55 113.61 1obp n ASP 61 Ca -0.16 -0.89 0.00 0.00 0.52 0.00 0.00 54.79 54.26 1obp n ASP 61 Cb 0.44 -3.12 0.00 0.00 -0.72 0.00 0.00 41.12 37.72 1obp n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1obp n GLY 62 N -1.73 1.92 3.33 0.27 0.00 -1.26 -5.02 105.19 102.71 1obp n GLY 62 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 1obp n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1obp s LYS 63 N -0.05 1.46 -0.02 1.61 -0.14 -1.15 -5.12 119.74 116.33 1obp s LYS 63 Ca 0.00 -1.18 -0.21 0.00 -1.36 0.00 0.00 55.97 53.22 1obp s LYS 63 Cb 0.00 -1.76 -0.05 0.00 -1.68 0.00 0.00 37.83 34.34 1obp s LYS 63 CO 0.00 0.43 0.61 -1.58 -0.76 0.00 0.00 175.35 174.05 1obp s TRP 64 N -0.96 3.66 -0.04 3.18 0.52 -1.26 -1.04 118.94 122.99 1obp s TRP 64 Ca 0.11 1.19 0.06 0.00 0.02 0.00 0.00 56.10 57.48 1obp s TRP 64 Cb -0.10 -2.64 -0.01 0.00 -1.15 0.00 0.00 33.47 29.57 1obp s TRP 64 CO 0.04 0.30 -0.22 0.15 0.02 0.00 0.00 176.95 177.24 1obp s LYS 65 N -0.00 2.02 -0.24 4.98 3.01 0.12 -4.98 119.74 124.65 1obp s LYS 65 Ca 0.32 -0.78 -0.09 0.00 -1.01 0.00 0.00 55.97 54.41 1obp s LYS 65 Cb -0.18 -1.82 -0.04 0.00 -1.01 0.00 0.00 37.83 34.78 1obp s LYS 65 CO 0.17 0.39 0.12 -0.80 0.51 0.00 0.00 175.35 175.74 1obp s ASN 66 N -0.28 5.69 0.00 2.83 0.01 -1.26 -1.20 114.94 120.74 1obp s ASN 66 Ca 0.02 -0.03 0.07 0.00 -0.71 0.00 0.00 52.86 52.21 1obp s ASN 66 Cb -0.11 -2.03 -0.03 0.00 0.41 0.00 0.00 41.25 39.50 1obp s ASN 66 CO 0.01 0.02 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.71 1obp s VAL 67 N 1.32 2.44 -0.14 1.60 1.01 0.82 -4.99 120.40 122.47 1obp s VAL 67 Ca 0.06 -1.11 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1obp s VAL 67 Cb -0.15 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1obp s VAL 67 CO 0.06 0.48 -0.18 -2.28 0.00 0.00 0.00 175.10 173.18 1obp s HIS 68 N -0.75 2.37 -0.07 5.22 2.46 -1.26 -1.56 115.29 121.70 1obp s HIS 68 Ca 0.12 -1.26 0.03 0.00 0.47 0.00 0.00 55.06 54.41 1obp s HIS 68 Cb -0.10 -1.67 0.01 0.00 -0.13 0.00 0.00 32.58 30.69 1obp s HIS 68 CO 0.01 -0.63 -0.14 0.08 -2.47 0.00 0.00 174.74 171.59 1obp s VAL 69 N 1.15 1.28 -0.16 0.89 1.01 -0.30 -4.97 120.40 119.30 1obp s VAL 69 Ca -0.01 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 1obp s VAL 69 Cb -0.14 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1obp s VAL 69 CO -0.07 0.38 -0.04 -0.75 0.00 0.00 0.00 175.10 174.62 1obp s LYS 70 N 0.55 3.63 0.17 2.72 2.20 -1.26 0.29 119.74 128.05 1obp s LYS 70 Ca -0.14 -0.54 0.08 0.00 -0.36 0.00 0.00 55.97 55.01 1obp s LYS 70 Cb -0.16 -2.90 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 1obp s LYS 70 CO 0.04 0.21 -0.08 0.00 -0.36 0.00 0.00 175.35 175.17 1obp s ALA 71 N 0.43 3.00 -0.06 3.13 0.00 0.64 -4.69 121.76 124.22 1obp s ALA 71 Ca -0.04 -1.42 0.03 0.00 0.00 0.00 0.00 51.96 50.53 1obp s ALA 71 Cb -0.14 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.17 1obp s ALA 71 CO 0.03 0.49 -0.14 0.99 0.00 0.00 0.00 175.76 177.13 1obp s THR 72 N -1.65 1.24 0.71 0.00 2.01 -0.98 -1.66 115.64 115.32 1obp s THR 72 Ca 0.25 -0.57 -0.13 0.00 0.31 0.00 0.00 61.69 61.55 1obp s THR 72 Cb -0.09 -1.10 0.03 0.00 0.01 0.00 0.00 72.50 71.34 1obp s THR 72 CO 0.16 0.37 1.12 -0.75 -0.69 0.00 0.00 174.62 174.83 1obp s LYS 73 N 0.43 2.49 0.27 4.92 2.20 -0.02 -1.95 119.74 128.08 1obp s LYS 73 Ca -0.11 1.38 0.06 0.00 -0.36 0.00 0.00 55.97 56.94 1obp s LYS 73 Cb -0.14 -1.91 -0.06 0.00 -1.51 0.00 0.00 37.83 34.21 1obp s LYS 73 CO 0.03 -1.49 -0.06 -0.65 -0.36 0.00 0.00 175.35 172.82 1obp s GLN 74 N -4.32 1.51 0.29 4.03 -0.21 0.47 -4.92 119.66 116.50 1obp s GLN 74 Ca 0.66 -1.76 0.03 0.00 0.02 0.00 0.00 55.36 54.31 1obp s GLN 74 Cb -0.21 -1.08 0.64 0.00 1.00 0.00 0.00 33.01 33.36 1obp s GLN 74 CO 0.47 0.03 1.79 -0.44 -2.12 0.00 0.00 175.29 175.01 1obp h ASP 75 N 2.32 0.75 -1.05 5.90 3.32 -1.98 0.65 116.42 126.32 1obp h ASP 75 Ca -0.40 0.08 0.32 0.00 0.02 0.00 0.00 57.03 57.06 1obp h ASP 75 Cb 1.23 -0.05 -0.14 0.00 0.22 0.00 0.00 39.33 40.60 1obp h ASP 75 CO 0.67 0.31 0.63 -0.78 -1.72 0.00 0.00 179.24 178.34 1obp h ASP 76 N 0.78 0.48 0.00 6.45 1.82 -2.02 -3.44 116.42 120.49 1obp h ASP 76 Ca 0.53 0.16 0.00 0.00 -0.39 0.00 0.00 57.03 57.33 1obp h ASP 76 Cb 0.73 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.85 1obp h ASP 76 CO -0.35 -0.09 0.00 0.61 -1.61 0.00 0.00 179.24 177.80 1obp n GLY 77 N -1.35 0.99 3.95 -0.78 0.00 0.23 -5.08 105.19 103.14 1obp n GLY 77 Ca 0.31 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 1obp n GLY 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1obp s THR 78 N -2.12 2.39 0.13 2.61 -4.23 -1.26 -4.72 115.64 108.45 1obp s THR 78 Ca 0.00 -0.41 0.10 0.00 -1.18 0.00 0.00 61.69 60.20 1obp s THR 78 Cb 0.00 -2.98 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 1obp s THR 78 CO 0.00 0.00 -0.23 -0.31 -0.54 0.00 0.00 174.62 173.54 1obp s TYR 79 N -3.10 2.04 0.09 3.99 1.51 -0.45 -0.40 117.35 121.04 1obp s TYR 79 Ca 0.60 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 56.33 1obp s TYR 79 Cb -0.10 -1.08 -0.03 0.00 -0.11 0.00 0.00 41.96 40.63 1obp s TYR 79 CO 0.43 0.31 -0.20 0.14 -1.11 0.00 0.00 175.55 175.11 1obp s VAL 80 N -1.33 1.67 0.05 0.71 -7.23 -0.82 -0.23 120.40 113.22 1obp s VAL 80 Ca 0.12 -1.49 -0.26 0.00 -1.81 0.00 0.00 61.98 58.55 1obp s VAL 80 Cb -0.09 -1.51 0.06 0.00 0.56 0.00 0.00 36.38 35.40 1obp s VAL 80 CO 0.06 -0.04 0.60 0.00 -0.31 0.00 0.00 175.10 175.41 1obp s ALA 81 N -1.12 -1.57 -0.23 1.32 0.00 -0.85 -2.31 121.76 116.99 1obp s ALA 81 Ca 0.06 0.82 -0.07 0.00 0.00 0.00 0.00 51.96 52.77 1obp s ALA 81 Cb -0.10 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 1obp s ALA 81 CO 0.04 -0.54 0.07 -0.51 0.00 0.00 0.00 175.76 174.82 1obp s ASP 82 N -1.94 5.36 -0.30 0.00 1.01 -1.26 -0.87 116.67 118.67 1obp s ASP 82 Ca -0.05 -0.09 -0.12 0.00 0.71 0.00 0.00 52.55 52.99 1obp s ASP 82 Cb -0.01 -1.95 0.17 0.00 1.01 0.00 0.00 42.92 42.15 1obp s ASP 82 CO -0.01 0.04 0.95 -0.47 0.21 0.00 0.00 175.17 175.89 1obp s TYR 83 N 1.16 -0.77 -1.58 4.23 5.04 -1.26 -4.93 117.35 119.24 1obp s TYR 83 Ca 0.05 1.04 -0.11 0.00 -2.44 0.00 0.00 57.07 55.61 1obp s TYR 83 Cb -0.14 0.35 0.09 0.00 0.35 0.00 0.00 41.96 42.61 1obp s TYR 83 CO 0.03 -0.41 0.63 0.39 -1.34 0.00 0.00 175.55 174.86 1obp n GLU 84 N 5.25 -3.28 0.00 4.97 -0.58 -1.26 -4.51 120.64 121.23 1obp n GLU 84 Ca -0.07 0.39 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 1obp n GLU 84 Cb 0.53 -4.85 0.00 0.00 -0.57 0.00 0.00 31.44 26.55 1obp n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1obp n GLY 85 N -1.69 0.52 3.77 0.62 0.00 -1.26 -4.42 105.19 102.73 1obp n GLY 85 Ca -0.09 -2.29 -0.35 0.00 0.00 0.00 0.00 46.02 43.29 1obp n GLY 85 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1obp s GLN 86 N -0.02 3.17 0.03 1.61 1.11 -0.90 -4.39 119.66 120.27 1obp s GLN 86 Ca 0.00 -0.31 0.05 0.00 0.01 0.00 0.00 55.36 55.11 1obp s GLN 86 Cb 0.00 -2.95 -0.02 0.00 -1.01 0.00 0.00 33.01 29.03 1obp s GLN 86 CO 0.00 0.73 -0.16 -0.80 0.01 0.00 0.00 175.29 175.07 1obp s ASN 87 N -1.04 1.85 -0.19 5.90 -0.87 -0.05 -1.68 114.94 118.86 1obp s ASN 87 Ca 0.15 -0.44 0.01 0.00 -1.57 0.00 0.00 52.86 51.01 1obp s ASN 87 Cb -0.12 -0.14 0.04 0.00 -0.02 0.00 0.00 41.25 41.01 1obp s ASN 87 CO 0.04 0.08 -0.12 -0.69 -2.57 0.00 0.00 177.10 173.85 1obp s VAL 88 N -0.76 1.68 -0.12 1.60 1.01 -0.82 -2.01 120.40 120.98 1obp s VAL 88 Ca 0.03 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 1obp s VAL 88 Cb -0.08 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1obp s VAL 88 CO 0.01 0.24 -0.04 0.12 0.00 0.00 0.00 175.10 175.43 1obp s PHE 89 N 1.40 3.02 -0.08 5.22 5.36 0.69 -1.28 117.98 132.30 1obp s PHE 89 Ca 0.00 -0.13 0.01 0.00 -0.96 0.00 0.00 56.93 55.85 1obp s PHE 89 Cb -0.15 -1.86 0.02 0.00 -0.34 0.00 0.00 43.02 40.69 1obp s PHE 89 CO -0.09 0.15 -0.09 0.21 -1.46 0.00 0.00 175.22 173.95 1obp s LYS 90 N -0.19 1.47 -0.32 10.12 2.47 0.05 -1.34 119.74 132.01 1obp s LYS 90 Ca 0.03 -0.29 -0.24 0.00 -1.56 0.00 0.00 55.97 53.91 1obp s LYS 90 Cb -0.13 -1.39 0.00 0.00 -1.46 0.00 0.00 37.83 34.86 1obp s LYS 90 CO 0.02 -0.12 0.84 0.42 0.16 0.00 0.00 175.35 176.67 1obp s ILE 91 N 1.18 4.74 -0.09 5.43 1.01 -1.26 -1.13 121.20 131.08 1obp s ILE 91 Ca -0.05 1.23 0.12 0.00 0.00 0.00 0.00 60.65 61.95 1obp s ILE 91 Cb -0.14 -4.20 -0.24 0.00 0.01 0.00 0.00 42.46 37.89 1obp s ILE 91 CO -0.02 -0.32 0.49 0.52 0.00 0.00 0.00 174.94 175.61 1obp n VAL 92 N 5.63 1.57 -3.71 2.92 0.31 -0.00 -4.93 118.33 120.12 1obp n VAL 92 Ca 0.05 -0.80 -0.11 0.00 -0.01 0.00 0.00 64.34 63.47 1obp n VAL 92 Cb 0.48 -0.96 -0.11 0.00 -0.91 0.00 0.00 33.84 32.34 1obp n VAL 92 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1obp s SER 93 N -6.03 -0.47 0.01 4.52 0.15 -1.03 -4.99 113.70 105.86 1obp s SER 93 Ca -0.08 0.83 -0.07 0.00 0.70 0.00 0.00 55.95 57.34 1obp s SER 93 Cb 0.07 0.75 -0.00 0.00 -1.71 0.00 0.00 66.02 65.13 1obp s SER 93 CO 0.82 -0.18 0.13 -0.22 1.20 0.00 0.00 173.24 174.99 1obp s LEU 94 N 1.10 1.60 0.33 3.45 2.96 -1.26 -0.66 118.68 126.21 1obp s LEU 94 Ca -0.07 -0.29 -0.18 0.00 -0.22 0.00 0.00 54.13 53.38 1obp s LEU 94 Cb -0.07 0.67 0.05 0.00 0.50 0.00 0.00 46.19 47.34 1obp s LEU 94 CO -0.09 -0.41 0.82 -0.94 -1.32 0.00 0.00 176.35 174.42 1obp s SER 95 N -1.57 -0.04 0.64 3.68 1.04 -0.10 -4.96 113.70 112.40 1obp s SER 95 Ca -0.13 -0.98 0.33 0.00 0.48 0.00 0.00 55.95 55.66 1obp s SER 95 Cb -0.06 0.77 1.84 0.00 0.10 0.00 0.00 66.02 68.67 1obp s SER 95 CO 0.00 -1.52 2.09 0.03 0.98 0.00 0.00 173.24 174.82 1obp h ARG 96 N 2.00 0.00 0.00 4.02 2.47 -2.01 -3.04 114.38 117.82 1obp h ARG 96 Ca -0.30 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.40 1obp h ARG 96 Cb 1.24 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.56 1obp h ARG 96 CO 0.37 0.00 -1.28 0.25 0.56 0.00 0.00 179.97 179.87 1obp n THR 97 N -3.26 0.11 -4.19 2.04 -2.24 -1.26 -4.75 114.28 100.73 1obp n THR 97 Ca -0.01 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1obp n THR 97 Cb 0.30 -0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.41 1obp n THR 97 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1obp s HIS 98 N -2.29 1.03 -0.05 4.78 -3.43 -1.15 0.13 115.29 114.31 1obp s HIS 98 Ca -0.02 -0.80 -0.02 0.00 -0.80 0.00 0.00 55.06 53.42 1obp s HIS 98 Cb 0.03 -0.56 0.04 0.00 -1.43 0.00 0.00 32.58 30.65 1obp s HIS 98 CO 0.22 -0.05 0.09 -1.17 -2.00 0.00 0.00 174.74 171.83 1obp s LEU 99 N -2.90 0.58 -0.17 5.38 2.96 -0.81 -0.92 118.68 122.80 1obp s LEU 99 Ca 0.11 0.16 -0.00 0.00 -0.22 0.00 0.00 54.13 54.18 1obp s LEU 99 Cb 0.02 0.08 0.00 0.00 0.50 0.00 0.00 46.19 46.79 1obp s LEU 99 CO -0.02 -0.18 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.00 1obp s VAL 100 N 1.55 2.67 0.16 1.68 1.01 0.17 -1.24 120.40 126.39 1obp s VAL 100 Ca -0.04 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.23 1obp s VAL 100 Cb -0.12 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1obp s VAL 100 CO -0.04 0.50 -0.08 0.00 0.00 0.00 0.00 175.10 175.48 1obp s ALA 101 N 1.03 1.48 -0.09 5.51 0.00 -0.61 -0.82 121.76 128.25 1obp s ALA 101 Ca -0.01 -1.53 0.02 0.00 0.00 0.00 0.00 51.96 50.44 1obp s ALA 101 Cb -0.15 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.13 1obp s ALA 101 CO -0.03 -0.13 -0.13 -1.58 0.00 0.00 0.00 175.76 173.88 1obp s HIS 102 N -3.37 1.70 -0.02 0.00 5.65 -0.28 -1.59 115.29 117.38 1obp s HIS 102 Ca 0.18 -0.75 0.06 0.00 0.25 0.00 0.00 55.06 54.80 1obp s HIS 102 Cb 0.03 -1.26 -0.01 0.00 -1.18 0.00 0.00 32.58 30.16 1obp s HIS 102 CO 0.02 -0.41 -0.19 1.21 -0.65 0.00 0.00 174.74 174.72 1obp s ASN 103 N 0.98 2.29 -0.18 9.88 3.84 0.11 -0.77 114.94 131.09 1obp s ASN 103 Ca -0.08 -0.36 -0.01 0.00 0.21 0.00 0.00 52.86 52.62 1obp s ASN 103 Cb -0.15 -0.38 -0.01 0.00 -0.55 0.00 0.00 41.25 40.17 1obp s ASN 103 CO -0.01 0.22 -0.11 -0.63 -2.79 0.00 0.00 177.10 173.78 1obp s ILE 104 N -0.31 3.00 0.00 -5.21 1.01 -0.40 -0.67 121.20 118.62 1obp s ILE 104 Ca 0.04 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.11 1obp s ILE 104 Cb -0.09 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 1obp s ILE 104 CO 0.00 0.48 -0.19 0.21 0.00 0.00 0.00 174.94 175.45 1obp s ASN 105 N 0.99 3.67 -0.20 3.58 3.84 0.14 -1.94 114.94 125.03 1obp s ASN 105 Ca -0.01 -0.38 -0.00 0.00 0.21 0.00 0.00 52.86 52.67 1obp s ASN 105 Cb -0.15 -0.60 0.05 0.00 -0.55 0.00 0.00 41.25 40.00 1obp s ASN 105 CO -0.01 0.29 -0.05 -0.69 -2.79 0.00 0.00 177.10 173.85 1obp s VAL 106 N -0.80 1.29 0.48 -5.21 1.01 -0.67 -0.46 120.40 116.03 1obp s VAL 106 Ca 0.13 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 1obp s VAL 106 Cb -0.10 -1.53 0.11 0.00 0.00 0.00 0.00 36.38 34.86 1obp s VAL 106 CO 0.03 -0.00 0.65 -0.90 0.00 0.00 0.00 175.10 174.87 1obp n ASP 107 N 4.79 0.04 0.30 3.32 5.68 -0.57 -2.13 116.55 127.98 1obp n ASP 107 Ca -0.12 -1.23 0.20 0.00 -0.50 0.00 0.00 54.79 53.14 1obp n ASP 107 Cb 0.46 -0.50 1.06 0.00 -1.14 0.00 0.00 41.12 41.00 1obp n ASP 107 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1obp h LYS 108 N 0.00 0.00 -0.53 0.11 6.56 -1.91 -1.62 116.57 119.18 1obp h LYS 108 Ca -0.21 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.38 1obp h LYS 108 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.24 1obp h LYS 108 CO 0.15 0.00 0.00 0.72 -2.06 0.00 0.00 179.45 178.26 1obp n HIS 109 N -2.95 1.52 -0.91 -1.35 8.25 -1.26 -4.93 115.22 113.59 1obp n HIS 109 Ca -0.02 -0.70 0.00 0.00 -0.26 0.00 0.00 57.72 56.74 1obp n HIS 109 Cb 0.10 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 30.87 1obp n HIS 109 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1obp n GLY 110 N 0.59 0.54 3.71 -1.41 0.00 -0.61 -4.99 105.19 103.03 1obp n GLY 110 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1obp n GLY 110 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1obp s GLN 111 N -0.45 4.41 -0.21 1.61 -0.21 -1.26 -4.76 119.66 118.79 1obp s GLN 111 Ca 0.00 1.83 -0.12 0.00 0.02 0.00 0.00 55.36 57.09 1obp s GLN 111 Cb 0.00 -3.33 -0.05 0.00 1.00 0.00 0.00 33.01 30.64 1obp s GLN 111 CO 0.00 -0.29 0.23 0.99 -2.12 0.00 0.00 175.29 174.09 1obp s THR 112 N 1.06 5.33 -0.09 -0.19 2.01 -1.26 -1.52 115.64 120.99 1obp s THR 112 Ca 0.60 0.35 0.03 0.00 0.31 0.00 0.00 61.69 62.98 1obp s THR 112 Cb -0.31 -3.56 0.01 0.00 0.01 0.00 0.00 72.50 68.64 1obp s THR 112 CO 0.29 0.35 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.50 1obp s THR 113 N 0.91 1.62 -0.19 -0.82 2.01 0.39 -4.95 115.64 114.62 1obp s THR 113 Ca 0.11 -0.76 -0.07 0.00 0.31 0.00 0.00 61.69 61.28 1obp s THR 113 Cb -0.13 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 1obp s THR 113 CO 0.04 0.46 0.05 -1.61 -0.69 0.00 0.00 174.62 172.88 1obp s GLU 114 N 0.52 3.90 0.09 4.92 2.02 -1.26 -0.68 118.70 128.21 1obp s GLU 114 Ca -0.16 -0.38 0.08 0.00 0.02 0.00 0.00 54.97 54.52 1obp s GLU 114 Cb -0.17 -3.20 -0.03 0.00 0.10 0.00 0.00 34.13 30.83 1obp s GLU 114 CO 0.06 0.20 -0.20 -0.51 0.02 0.00 0.00 175.26 174.84 1obp s LEU 115 N 0.55 2.28 0.16 1.80 1.02 0.16 -1.52 118.68 123.12 1obp s LEU 115 Ca 0.03 -0.65 0.09 0.00 0.02 0.00 0.00 54.13 53.61 1obp s LEU 115 Cb -0.13 -0.84 -0.04 0.00 0.02 0.00 0.00 46.19 45.20 1obp s LEU 115 CO 0.01 0.05 -0.19 0.42 0.02 0.00 0.00 176.35 176.66 1obp s THR 116 N -1.12 1.86 -0.02 5.49 -4.23 -0.86 -0.72 115.64 116.03 1obp s THR 116 Ca 0.05 -1.89 -0.27 0.00 -1.18 0.00 0.00 61.69 58.41 1obp s THR 116 Cb -0.10 -1.84 0.06 0.00 1.34 0.00 0.00 72.50 71.96 1obp s THR 116 CO 0.04 -0.27 0.59 -0.83 -0.54 0.00 0.00 174.62 173.60 1obp s GLY 117 N -2.59 -0.48 -0.10 3.99 0.00 -0.62 -0.53 107.32 106.99 1obp s GLY 117 Ca 0.15 1.01 0.02 0.00 0.00 0.00 0.00 44.72 45.91 1obp s GLY 117 CO 0.07 0.69 -0.17 -2.27 0.00 0.00 0.00 173.10 171.42 1obp s LEU 118 N -1.37 1.80 0.06 0.66 2.96 -0.57 -1.57 118.68 120.66 1obp s LEU 118 Ca -0.10 -0.43 0.06 0.00 -0.22 0.00 0.00 54.13 53.43 1obp s LEU 118 Cb -0.01 -1.11 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 1obp s LEU 118 CO 0.07 0.05 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.63 1obp s PHE 119 N 0.78 1.40 0.06 5.38 0.40 -0.38 -1.22 117.98 124.40 1obp s PHE 119 Ca -0.11 -0.40 0.07 0.00 -0.60 0.00 0.00 56.93 55.89 1obp s PHE 119 Cb -0.16 -0.80 -0.03 0.00 0.51 0.00 0.00 43.02 42.54 1obp s PHE 119 CO 0.02 0.08 -0.20 0.54 0.70 0.00 0.00 175.22 176.36 1obp s VAL 120 N -1.05 1.60 0.09 -0.44 0.11 -0.60 -1.93 120.40 118.18 1obp s VAL 120 Ca 0.02 -1.27 -0.13 0.00 -2.93 0.00 0.00 61.98 57.67 1obp s VAL 120 Cb -0.09 -1.41 -0.06 0.00 -1.53 0.00 0.00 36.38 33.28 1obp s VAL 120 CO 0.02 0.09 0.46 -0.75 -3.33 0.00 0.00 175.10 171.60 1obp s LYS 121 N -1.40 3.88 -0.64 1.54 2.20 0.12 -1.20 119.74 124.24 1obp s LYS 121 Ca 0.06 0.35 -0.15 0.00 -0.36 0.00 0.00 55.97 55.87 1obp s LYS 121 Cb -0.09 -3.02 0.16 0.00 -1.51 0.00 0.00 37.83 33.37 1obp s LYS 121 CO 0.02 0.55 0.59 -0.51 -0.36 0.00 0.00 175.35 175.65 1obp s LEU 122 N -1.77 6.38 -0.21 5.43 1.02 -0.71 -4.95 118.68 123.87 1obp s LEU 122 Ca 0.33 -2.10 -0.16 0.00 0.02 0.00 0.00 54.13 52.22 1obp s LEU 122 Cb -0.15 -2.21 -0.04 0.00 0.02 0.00 0.00 46.19 43.82 1obp s LEU 122 CO 0.18 -0.76 0.42 0.21 0.02 0.00 0.00 176.35 176.42 1obp s ASN 123 N 3.10 6.44 -0.33 2.29 3.04 -1.26 -4.53 114.94 123.69 1obp s ASN 123 Ca 0.08 0.53 -0.08 0.00 0.04 0.00 0.00 52.86 53.43 1obp s ASN 123 Cb -0.23 -2.24 0.02 0.00 -1.54 0.00 0.00 41.25 37.26 1obp s ASN 123 CO -0.01 -0.11 0.12 -0.69 -3.04 0.00 0.00 177.10 173.37 1obp s VAL 124 N 1.48 4.08 0.47 -5.21 1.01 -1.26 -5.09 120.40 115.88 1obp s VAL 124 Ca 0.20 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 1obp s VAL 124 Cb -0.15 -3.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.92 1obp s VAL 124 CO 0.08 -0.09 1.02 -1.61 0.00 0.00 0.00 175.10 174.50 1obp s GLU 125 N 1.48 3.90 0.15 2.72 2.02 -1.26 -4.99 118.70 122.72 1obp s GLU 125 Ca 0.01 1.29 -0.12 0.00 0.02 0.00 0.00 54.97 56.18 1obp s GLU 125 Cb -0.18 -2.12 -0.00 0.00 0.10 0.00 0.00 34.13 31.93 1obp s GLU 125 CO 0.04 -0.34 1.55 -0.44 0.02 0.00 0.00 175.26 176.09 1obp h ASP 126 N 1.62 0.93 -0.70 -0.19 5.19 -1.98 -1.96 116.42 119.32 1obp h ASP 126 Ca -0.49 -0.37 0.07 0.00 -0.62 0.00 0.00 57.03 55.62 1obp h ASP 126 Cb 1.21 -0.25 -0.06 0.00 0.18 0.00 0.00 39.33 40.40 1obp h ASP 126 CO 0.59 1.09 0.38 -0.33 -3.12 0.00 0.00 179.24 177.85 1obp h GLU 127 N 0.76 0.66 -0.08 3.56 5.08 -2.00 -0.75 114.58 121.81 1obp h GLU 127 Ca 0.11 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 1obp h GLU 127 Cb 0.70 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1obp h GLU 127 CO 0.05 0.43 -0.65 -0.44 -1.00 0.00 0.00 179.01 177.41 1obp h ASP 128 N 0.68 0.36 -0.19 1.42 3.32 -1.94 -2.49 116.42 117.57 1obp h ASP 128 Ca 0.32 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 1obp h ASP 128 Cb 0.25 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1obp h ASP 128 CO -0.21 0.91 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.97 1obp h LEU 129 N 0.22 0.60 -0.33 1.55 3.38 -0.73 -2.28 115.31 117.73 1obp h LEU 129 Ca -0.01 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 1obp h LEU 129 Cb 1.18 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1obp h LEU 129 CO 0.11 0.79 -0.28 -0.33 0.09 0.00 0.00 178.44 178.82 1obp h GLU 130 N 0.55 0.77 -0.87 1.13 5.08 -1.06 -2.11 114.58 118.07 1obp h GLU 130 Ca 0.09 -0.39 0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1obp h GLU 130 Cb 0.61 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 1obp h GLU 130 CO 0.04 1.01 0.58 -0.22 -1.00 0.00 0.00 179.01 179.42 1obp h LYS 131 N 0.55 1.14 -0.30 2.33 1.63 -1.31 -0.91 116.57 119.70 1obp h LYS 131 Ca 0.06 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.73 1obp h LYS 131 Cb 0.85 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1obp h LYS 131 CO 0.07 0.76 -0.04 0.35 -3.45 0.00 0.00 179.45 177.13 1obp h PHE 132 N 1.18 0.61 -0.40 1.91 3.57 -1.34 -1.98 116.94 120.50 1obp h PHE 132 Ca 0.32 -0.12 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 1obp h PHE 132 Cb -0.14 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 1obp h PHE 132 CO -0.01 0.72 -0.14 -1.49 -2.23 0.00 0.00 178.31 175.17 1obp h TRP 133 N 0.33 0.80 -0.06 0.41 4.06 -1.16 -0.19 115.95 120.13 1obp h TRP 133 Ca 0.08 -0.15 -0.01 0.00 2.06 0.00 0.00 58.89 60.87 1obp h TRP 133 Cb 0.51 -0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 28.46 1obp h TRP 133 CO 0.05 0.82 0.01 -0.22 -3.56 0.00 0.00 178.44 175.53 1obp h LYS 134 N 0.65 0.11 -0.74 0.49 3.64 -1.13 -1.60 116.57 117.99 1obp h LYS 134 Ca 0.11 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1obp h LYS 134 Cb 0.61 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.36 1obp h LYS 134 CO 0.04 0.34 0.44 1.25 -2.27 0.00 0.00 179.45 179.25 1obp h LEU 135 N -0.14 0.67 -1.09 5.20 5.85 -1.29 0.15 115.31 124.67 1obp h LEU 135 Ca 0.02 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1obp h LEU 135 Cb 0.29 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1obp h LEU 135 CO 0.00 0.44 0.40 0.74 -0.34 0.00 0.00 178.44 179.68 1obp h THR 136 N 0.81 1.22 -0.24 1.05 2.02 -0.85 -2.08 112.91 114.85 1obp h THR 136 Ca 0.33 -0.56 -0.13 0.00 0.77 0.00 0.00 66.41 66.81 1obp h THR 136 Cb 0.16 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1obp h THR 136 CO -0.17 0.25 -0.37 -0.08 0.37 0.00 0.00 175.52 175.52 1obp h GLU 137 N 1.04 0.67 -0.93 6.66 4.81 -0.34 -1.68 114.58 124.80 1obp h GLU 137 Ca 0.26 -0.41 0.12 0.00 -0.13 0.00 0.00 59.36 59.21 1obp h GLU 137 Cb 0.04 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.38 1obp h GLU 137 CO -0.04 1.02 0.60 -0.44 -0.73 0.00 0.00 179.01 179.42 1obp h ASP 138 N 0.38 0.81 -0.29 1.04 3.32 -0.09 -0.54 116.42 121.05 1obp h ASP 138 Ca 0.02 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1obp h ASP 138 Cb 0.97 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.39 1obp h ASP 138 CO 0.09 0.44 0.00 0.29 -1.72 0.00 0.00 179.24 178.34 1obp n LYS 139 N -4.57 1.68 -2.70 3.56 4.76 -0.85 -4.92 118.16 115.11 1obp n LYS 139 Ca 0.17 -1.05 -0.18 0.00 -2.87 0.00 0.00 58.31 54.38 1obp n LYS 139 Cb 0.37 -1.23 0.02 0.00 -1.84 0.00 0.00 35.03 32.34 1obp n LYS 139 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1obp n GLY 140 N 0.97 -0.34 3.75 0.72 0.00 -0.21 -4.99 105.19 105.10 1obp n GLY 140 Ca 0.10 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1obp n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1obp s ILE 141 N -3.01 5.14 0.22 -0.61 1.01 -0.64 -5.04 121.20 118.28 1obp s ILE 141 Ca 0.16 0.90 -0.30 0.00 0.00 0.00 0.00 60.65 61.41 1obp s ILE 141 Cb -0.07 -3.78 -0.08 0.00 0.01 0.00 0.00 42.46 38.53 1obp s ILE 141 CO 0.20 0.40 1.07 -0.62 0.00 0.00 0.00 174.94 175.99 1obp s ASP 142 N 0.15 7.33 0.55 3.58 2.15 -1.26 -4.60 116.67 124.57 1obp s ASP 142 Ca 0.25 2.13 0.28 0.00 0.43 0.00 0.00 52.55 55.63 1obp s ASP 142 Cb -0.15 -2.61 1.46 0.00 -0.30 0.00 0.00 42.92 41.32 1obp s ASP 142 CO 0.11 -0.13 1.96 0.11 -0.17 0.00 0.00 175.17 177.05 1obp h LYS 143 N 4.49 0.00 0.00 4.34 1.57 -1.97 0.48 116.57 125.48 1obp h LYS 143 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1obp h LYS 143 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1obp h LYS 143 CO 0.70 0.00 0.00 -0.22 -0.57 0.00 0.00 179.45 179.36 1obp h LYS 144 N 0.00 0.00 -0.76 3.15 3.64 -2.04 -2.53 116.57 118.03 1obp h LYS 144 Ca 0.26 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.45 1obp h LYS 144 Cb 1.14 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.85 1obp h LYS 144 CO -0.00 0.00 0.24 0.09 -2.27 0.00 0.00 179.45 177.51 1obp n ASN 145 N -3.08 4.80 -4.35 4.20 3.02 0.17 -4.90 115.26 115.12 1obp n ASN 145 Ca -0.01 -3.13 -0.32 0.00 -0.03 0.00 0.00 54.58 51.09 1obp n ASN 145 Cb 0.20 -0.73 -0.15 0.00 -0.61 0.00 0.00 39.78 38.49 1obp n ASN 145 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1obp s VAL 146 N -2.84 2.57 -0.14 2.41 -7.23 -0.95 -4.91 120.40 109.31 1obp s VAL 146 Ca 0.52 -0.88 -0.04 0.00 -1.81 0.00 0.00 61.98 59.77 1obp s VAL 146 Cb 0.42 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 1obp s VAL 146 CO 0.13 0.57 0.02 -0.69 -0.31 0.00 0.00 175.10 174.82 1obp s VAL 147 N -0.23 4.41 -0.26 1.32 1.01 -1.26 -5.08 120.40 120.31 1obp s VAL 147 Ca -0.00 -0.19 -0.20 0.00 0.00 0.00 0.00 61.98 61.59 1obp s VAL 147 Cb -0.13 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 1obp s VAL 147 CO 0.03 0.53 0.60 0.21 0.00 0.00 0.00 175.10 176.47 1obp s ASN 148 N -0.14 6.52 0.00 3.32 3.84 -1.26 -4.95 114.94 122.28 1obp s ASN 148 Ca 0.05 0.61 0.23 0.00 0.21 0.00 0.00 52.86 53.96 1obp s ASN 148 Cb -0.12 -2.32 0.06 0.00 -0.55 0.00 0.00 41.25 38.31 1obp s ASN 148 CO 0.02 -0.36 1.10 0.49 -2.79 0.00 0.00 177.10 175.56 1obp n PHE 149 N 5.69 0.00 0.14 0.43 3.01 -1.26 -4.32 117.46 121.15 1obp n PHE 149 Ca -0.02 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.22 1obp n PHE 149 Cb 0.49 -0.10 -0.15 0.00 -0.01 0.00 0.00 39.48 39.71 1obp n PHE 149 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1obp h LEU 150 N 0.02 0.74 -6.83 4.37 4.07 -2.04 -3.38 115.31 112.25 1obp h LEU 150 Ca 0.00 -0.80 -0.61 0.00 0.08 0.00 0.00 57.88 56.55 1obp h LEU 150 Cb 0.50 -0.24 -0.42 0.00 1.08 0.00 0.00 40.66 41.59 1obp h LEU 150 CO 0.00 1.62 -0.62 -1.84 -1.08 0.00 0.00 178.44 176.53 1obp n GLU 151 N -3.66 1.84 -3.71 1.13 0.28 -1.26 -5.03 120.64 110.22 1obp n GLU 151 Ca -0.15 -4.41 -0.16 0.00 -0.16 0.00 0.00 57.16 52.28 1obp n GLU 151 Cb 1.09 -2.22 -0.16 0.00 1.43 0.00 0.00 31.44 31.58 1obp n GLU 151 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1obp s ASN 152 N -1.56 0.48 0.51 -1.84 2.47 -1.26 -4.95 114.94 108.79 1obp s ASN 152 Ca 0.29 0.18 0.26 0.00 0.42 0.00 0.00 52.86 54.01 1obp s ASN 152 Cb 0.01 0.05 1.36 0.00 -1.45 0.00 0.00 41.25 41.22 1obp s ASN 152 CO -0.14 -0.19 2.04 1.05 -3.72 0.00 0.00 177.10 176.13 1obp h GLU 153 N 7.85 0.00 -4.77 0.43 4.11 -1.96 -3.36 114.58 116.89 1obp h GLU 153 Ca -0.28 0.00 -0.73 0.00 0.07 0.00 0.00 59.36 58.41 1obp h GLU 153 Cb 1.12 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.20 1obp h GLU 153 CO 0.30 0.14 1.33 0.34 0.07 0.00 0.00 179.01 181.19 1obp s ASP 154 N -6.19 7.05 0.29 3.06 2.15 -1.26 -4.96 116.67 116.81 1obp s ASP 154 Ca -0.02 -2.95 0.05 0.00 0.43 0.00 0.00 52.55 50.05 1obp s ASP 154 Cb 0.13 -2.40 -0.06 0.00 -0.30 0.00 0.00 42.92 40.29 1obp s ASP 154 CO 0.60 -0.76 -0.01 -1.38 -0.17 0.00 0.00 175.17 173.45 1obp s HIS 155 N 1.63 1.90 0.77 -5.34 -3.43 -1.26 -5.16 115.29 104.41 1obp s HIS 155 Ca 0.42 -0.82 -0.11 0.00 -0.80 0.00 0.00 55.06 53.75 1obp s HIS 155 Cb -0.03 -1.15 0.05 0.00 -1.43 0.00 0.00 32.58 30.02 1obp s HIS 155 CO -0.00 0.14 1.08 -2.14 -2.00 0.00 0.00 174.74 171.82 1obp s PRO 156 N -3.80 2.30 -0.14 -0.38 0.02 -1.26 -5.06 135.00 126.68 1obp s PRO 156 Ca 0.32 0.78 -0.05 0.00 0.02 0.00 0.00 61.00 62.07 1obp s PRO 156 Cb 0.06 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.61 1obp s PRO 156 CO 0.13 -1.50 0.02 -1.01 -0.33 0.00 0.00 177.00 174.30 1obp s HIS 157 N -3.09 3.18 -0.69 6.54 3.76 -1.26 -4.98 115.29 118.75 1obp s HIS 157 Ca 0.60 0.04 0.22 0.00 -0.15 0.00 0.00 55.06 55.77 1obp s HIS 157 Cb -0.15 -1.95 0.89 0.00 1.11 0.00 0.00 32.58 32.49 1obp s HIS 157 CO 0.55 0.24 1.69 -2.30 -0.85 0.00 0.00 174.74 174.06 1obp n PRO 158 N 3.01 0.15 0.00 8.40 -0.02 -1.26 -5.31 135.00 139.97 1obp n PRO 158 Ca -0.18 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1obp n PRO 158 Cb 0.53 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1obp n PRO 158 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63