#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f37 h GLN 3 N 0.00 0.00 0.00 -1.46 3.07 -2.00 -2.75 115.11 111.98 3f37 h GLN 3 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3f37 h GLN 3 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 3f37 h GLN 3 CO 0.00 0.00 -1.34 0.44 0.09 0.00 0.00 178.83 178.02 3f37 n ILE 4 N -3.40 0.00 -1.97 1.86 -5.35 -1.26 -4.98 119.36 104.26 3f37 n ILE 4 Ca -0.03 -0.23 -0.42 0.00 -0.27 0.00 0.00 62.75 61.80 3f37 n ILE 4 Cb 0.11 0.58 -0.03 0.00 -1.74 0.00 0.00 39.64 38.55 3f37 n ILE 4 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3f37 s ARG 5 N -3.03 4.22 -0.18 6.28 3.52 -1.04 -4.86 118.95 123.86 3f37 s ARG 5 Ca 0.01 2.31 -0.08 0.00 -0.13 0.00 0.00 55.73 57.84 3f37 s ARG 5 Cb 0.13 -3.29 0.08 0.00 -1.56 0.00 0.00 34.95 30.31 3f37 s ARG 5 CO 0.79 -0.62 0.40 -1.14 -0.81 0.00 0.00 175.30 173.92 3f37 s GLN 6 N 1.55 0.34 -1.69 5.12 0.74 -1.26 -4.91 119.66 119.55 3f37 s GLN 6 Ca 0.70 0.91 -0.02 0.00 0.05 0.00 0.00 55.36 57.00 3f37 s GLN 6 Cb -0.42 0.16 0.00 0.00 1.10 0.00 0.00 33.01 33.85 3f37 s GLN 6 CO 0.31 -0.22 0.28 -1.71 -0.55 0.00 0.00 175.29 173.40 3f37 n ASN 7 N 4.92 -6.05 -3.97 6.67 4.05 -1.26 -4.97 115.26 114.65 3f37 n ASN 7 Ca -0.14 -0.14 -0.31 0.00 0.45 0.00 0.00 54.58 54.44 3f37 n ASN 7 Cb 0.52 -4.97 -0.15 0.00 1.23 0.00 0.00 39.78 36.41 3f37 n ASN 7 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 3f37 s TYR 8 N -3.11 3.19 0.64 1.20 5.04 -1.26 -4.82 117.35 118.24 3f37 s TYR 8 Ca 0.14 -2.55 -0.14 0.00 -2.44 0.00 0.00 57.07 52.08 3f37 s TYR 8 Cb -0.06 -2.42 -0.02 0.00 0.35 0.00 0.00 41.96 39.81 3f37 s TYR 8 CO 0.17 -0.91 1.06 -1.54 -1.34 0.00 0.00 175.55 173.00 3f37 s SER 9 N 1.11 5.54 0.43 4.32 1.04 -1.26 -4.89 113.70 119.98 3f37 s SER 9 Ca 0.06 1.78 0.14 0.00 0.48 0.00 0.00 55.95 58.41 3f37 s SER 9 Cb -0.19 -2.52 0.94 0.00 0.10 0.00 0.00 66.02 64.34 3f37 s SER 9 CO -0.10 -1.34 1.95 0.71 0.98 0.00 0.00 173.24 175.44 3f37 h THR 10 N -0.01 1.15 -0.36 2.02 1.35 -1.99 -1.51 112.91 113.57 3f37 h THR 10 Ca -0.46 -0.81 -0.06 0.00 -0.55 0.00 0.00 66.41 64.53 3f37 h THR 10 Cb 1.22 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 69.07 3f37 h THR 10 CO 0.57 0.23 -0.02 -0.33 -0.25 0.00 0.00 175.52 175.71 3f37 h GLU 11 N 0.00 0.64 -0.28 4.72 3.07 -2.00 -1.26 114.58 119.47 3f37 h GLU 11 Ca -0.00 -0.22 -0.06 0.00 -0.50 0.00 0.00 59.36 58.58 3f37 h GLU 11 Cb 0.42 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 3f37 h GLU 11 CO 0.03 0.77 -0.07 0.28 -1.40 0.00 0.00 179.01 178.62 3f37 h VAL 12 N 0.45 1.28 -0.50 3.13 2.07 -1.89 -1.48 116.25 119.30 3f37 h VAL 12 Ca 0.10 -1.09 0.10 0.00 0.82 0.00 0.00 66.70 66.62 3f37 h VAL 12 Cb 0.49 1.41 -0.08 0.00 -1.52 0.00 0.00 31.29 31.60 3f37 h VAL 12 CO 0.02 0.35 0.01 -0.08 0.02 0.00 0.00 177.57 177.89 3f37 h GLU 13 N 0.31 0.13 -0.59 1.57 4.81 -1.15 0.16 114.58 119.82 3f37 h GLU 13 Ca 0.07 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 3f37 h GLU 13 Cb 0.55 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 3f37 h GLU 13 CO 0.03 0.08 0.07 0.00 -0.73 0.00 0.00 179.01 178.46 3f37 h ALA 14 N 1.44 0.78 -0.29 2.92 0.00 -1.12 -2.23 119.26 120.76 3f37 h ALA 14 Ca 0.25 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3f37 h ALA 14 Cb 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3f37 h ALA 14 CO -0.41 0.56 -0.16 0.00 0.00 0.00 0.00 179.25 179.24 3f37 h ALA 15 N 1.00 1.18 -0.51 0.00 0.00 -0.55 -1.24 119.26 119.14 3f37 h ALA 15 Ca 0.18 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3f37 h ALA 15 Cb 0.46 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3f37 h ALA 15 CO 0.02 0.52 0.11 0.28 0.00 0.00 0.00 179.25 180.18 3f37 h VAL 16 N 0.47 1.24 -0.85 0.00 2.07 -0.47 -0.70 116.25 118.02 3f37 h VAL 16 Ca 0.08 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 3f37 h VAL 16 Cb 0.55 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 3f37 h VAL 16 CO 0.04 0.32 0.46 0.78 0.02 0.00 0.00 177.57 179.19 3f37 h ASN 17 N 0.71 1.06 -0.78 0.57 2.35 -0.95 -0.74 115.58 117.80 3f37 h ASN 17 Ca 0.16 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3f37 h ASN 17 Cb 0.36 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 3f37 h ASN 17 CO 0.00 0.85 0.36 0.03 -1.65 0.00 0.00 177.43 177.03 3f37 h ARG 18 N 1.18 1.14 -0.34 0.81 3.08 -0.99 -2.48 114.38 116.79 3f37 h ARG 18 Ca 0.30 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 3f37 h ARG 18 Cb 0.03 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 3f37 h ARG 18 CO -0.05 0.90 -0.16 1.25 -1.07 0.00 0.00 179.97 180.84 3f37 h LEU 19 N 1.12 0.60 -0.64 3.04 5.85 -0.53 -0.88 115.31 123.86 3f37 h LEU 19 Ca 0.27 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3f37 h LEU 19 Cb 0.15 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3f37 h LEU 19 CO -0.03 0.77 0.41 0.58 -0.34 0.00 0.00 178.44 179.83 3f37 h VAL 20 N 0.55 1.10 -0.61 1.05 2.07 -0.92 0.00 116.25 119.48 3f37 h VAL 20 Ca 0.09 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3f37 h VAL 20 Cb 0.59 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3f37 h VAL 20 CO 0.04 0.15 0.21 -1.13 0.02 0.00 0.00 177.57 176.86 3f37 h ASN 21 N 0.80 0.88 -0.78 0.57 -0.73 -0.91 -0.64 115.58 114.78 3f37 h ASN 21 Ca 0.25 -0.19 -0.05 0.00 1.87 0.00 0.00 56.30 58.18 3f37 h ASN 21 Cb -0.01 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.32 3f37 h ASN 21 CO -0.09 0.84 0.28 -0.07 -0.37 0.00 0.00 177.43 178.01 3f37 h LEU 22 N 0.87 1.10 -0.44 0.34 3.38 -0.70 0.12 115.31 119.98 3f37 h LEU 22 Ca 0.20 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3f37 h LEU 22 Cb 0.26 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3f37 h LEU 22 CO -0.01 1.00 -0.14 1.88 0.09 0.00 0.00 178.44 181.25 3f37 h TYR 23 N 1.15 0.99 -0.48 1.13 0.05 -0.73 -0.52 116.97 118.56 3f37 h TYR 23 Ca 0.26 -0.22 -0.09 0.00 0.05 0.00 0.00 58.73 58.72 3f37 h TYR 23 Cb 0.26 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 3f37 h TYR 23 CO 0.02 0.99 -0.08 -0.07 -1.05 0.00 0.00 178.16 177.97 3f37 h LEU 24 N 0.70 0.84 -0.66 3.88 3.38 -0.81 -0.35 115.31 122.28 3f37 h LEU 24 Ca 0.11 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3f37 h LEU 24 Cb 0.69 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3f37 h LEU 24 CO 0.05 0.95 0.22 -0.09 0.09 0.00 0.00 178.44 179.66 3f37 h ARG 25 N 0.77 1.01 -0.66 1.13 1.12 -0.63 -1.07 114.38 116.06 3f37 h ARG 25 Ca 0.13 -0.21 0.00 0.00 -1.11 0.00 0.00 59.98 58.80 3f37 h ARG 25 Cb 0.58 -0.15 -0.03 0.00 -0.01 0.00 0.00 29.97 30.35 3f37 h ARG 25 CO 0.04 0.87 0.43 0.00 -3.11 0.00 0.00 179.97 178.20 3f37 h ALA 26 N 1.09 0.84 -0.65 2.80 0.00 -0.83 0.05 119.26 122.57 3f37 h ALA 26 Ca 0.21 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3f37 h ALA 26 Cb 0.27 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3f37 h ALA 26 CO -0.01 0.28 0.41 1.03 0.00 0.00 0.00 179.25 180.96 3f37 h SER 27 N 0.90 0.69 -0.68 0.00 0.87 -0.65 -0.87 113.55 113.81 3f37 h SER 27 Ca 0.24 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.76 3f37 h SER 27 Cb -0.09 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.69 3f37 h SER 27 CO -0.05 0.49 0.27 0.22 -0.53 0.00 0.00 176.83 177.23 3f37 h TYR 28 N 0.82 1.04 -0.72 2.24 3.20 -0.77 -0.39 116.97 122.39 3f37 h TYR 28 Ca 0.25 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3f37 h TYR 28 Cb -0.02 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 37.90 3f37 h TYR 28 CO -0.04 0.81 0.48 1.15 -1.64 0.00 0.00 178.16 178.91 3f37 h THR 29 N 0.97 1.17 -0.06 1.81 2.02 -0.52 -1.45 112.91 116.85 3f37 h THR 29 Ca 0.23 -0.33 -0.11 0.00 0.77 0.00 0.00 66.41 66.97 3f37 h THR 29 Cb 0.21 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 3f37 h THR 29 CO -0.02 0.18 -0.47 1.88 0.37 0.00 0.00 175.52 177.45 3f37 h TYR 30 N 0.96 0.16 -0.43 3.16 0.05 -0.70 0.26 116.97 120.44 3f37 h TYR 30 Ca 0.27 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.99 3f37 h TYR 30 Cb -0.09 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 3f37 h TYR 30 CO -0.03 0.59 0.24 1.25 -1.05 0.00 0.00 178.16 179.16 3f37 h LEU 31 N 0.11 0.53 -0.40 3.88 5.85 -0.63 0.44 115.31 125.10 3f37 h LEU 31 Ca 0.00 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3f37 h LEU 31 Cb 0.88 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3f37 h LEU 31 CO 0.07 0.47 0.16 -1.28 -0.34 0.00 0.00 178.44 177.52 3f37 h SER 32 N 0.56 0.55 -0.44 1.25 0.87 -0.77 -1.68 113.55 113.89 3f37 h SER 32 Ca 0.15 -0.16 0.03 0.00 -1.23 0.00 0.00 61.79 60.57 3f37 h SER 32 Cb 0.05 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 3f37 h SER 32 CO -0.02 0.56 0.24 -0.07 -0.53 0.00 0.00 176.83 177.00 3f37 h LEU 33 N 0.50 0.37 -0.05 2.23 3.38 -0.77 -1.49 115.31 119.48 3f37 h LEU 33 Ca 0.13 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3f37 h LEU 33 Cb 0.18 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3f37 h LEU 33 CO -0.01 0.26 -0.01 1.23 0.09 0.00 0.00 178.44 180.00 3f37 h GLY 34 N 0.48 0.03 2.00 0.83 0.00 -0.71 -2.49 103.07 103.21 3f37 h GLY 34 Ca 0.18 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.47 3f37 h GLY 34 CO -0.11 -0.02 -0.28 0.74 0.00 0.00 0.00 176.54 176.87 3f37 h PHE 35 N -0.00 0.00 -0.67 5.60 0.04 -1.19 -2.39 116.94 118.33 3f37 h PHE 35 Ca 0.02 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 3f37 h PHE 35 Cb 0.04 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 3f37 h PHE 35 CO -0.11 0.28 0.31 -0.92 -0.60 0.00 0.00 178.31 177.27 3f37 h TYR 36 N 0.00 0.97 0.00 -0.55 3.20 -0.87 -2.46 116.97 117.25 3f37 h TYR 36 Ca -0.00 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3f37 h TYR 36 Cb 0.77 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.75 3f37 h TYR 36 CO 0.00 0.73 0.00 1.19 -1.64 0.00 0.00 178.16 178.44 3f37 n PHE 37 N -4.46 0.00 1.20 -3.82 3.72 -0.92 -1.86 117.46 111.32 3f37 n PHE 37 Ca 0.05 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.58 3f37 n PHE 37 Cb 0.13 -0.48 0.39 0.00 -0.94 0.00 0.00 39.48 38.58 3f37 n PHE 37 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3f37 n ASP 38 N -1.48 0.79 -4.77 4.37 2.03 -0.94 -1.42 116.55 115.13 3f37 n ASP 38 Ca 0.06 -0.65 -0.40 0.00 0.52 0.00 0.00 54.79 54.32 3f37 n ASP 38 Cb 0.26 0.11 0.02 0.00 -0.72 0.00 0.00 41.12 40.79 3f37 n ASP 38 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3f37 n ARG 39 N -0.92 2.30 0.29 -0.67 1.74 -0.78 -4.70 116.66 113.92 3f37 n ARG 39 Ca 0.11 0.82 0.15 0.00 -0.77 0.00 0.00 57.85 58.15 3f37 n ARG 39 Cb 0.33 -2.65 0.86 0.00 -1.02 0.00 0.00 32.46 29.99 3f37 n ARG 39 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3f37 h ASP 40 N 2.35 0.00 -0.51 0.55 2.03 -1.91 0.23 116.42 119.16 3f37 h ASP 40 Ca -0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 3f37 h ASP 40 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 3f37 h ASP 40 CO 0.61 0.05 0.00 -0.90 -1.03 0.00 0.00 179.24 177.97 3f37 n ASP 41 N -3.68 3.22 0.07 4.15 5.75 -1.26 -4.38 116.55 120.42 3f37 n ASP 41 Ca -0.02 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 3f37 n ASP 41 Cb 0.15 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 3f37 n ASP 41 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3f37 n VAL 42 N 0.93 0.80 -3.45 2.12 0.31 -0.49 -5.09 118.33 113.46 3f37 n VAL 42 Ca 0.18 0.26 -0.21 0.00 -0.01 0.00 0.00 64.34 64.57 3f37 n VAL 42 Cb 0.56 -1.23 0.06 0.00 -0.91 0.00 0.00 33.84 32.32 3f37 n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3f37 n ALA 43 N -3.38 -2.40 -3.89 3.52 0.00 0.70 -4.97 120.51 110.08 3f37 n ALA 43 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 3f37 n ALA 43 Cb 0.00 -4.52 -0.14 0.00 0.00 0.00 0.00 19.45 14.79 3f37 n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3f37 s LEU 44 N -5.96 4.01 0.25 0.00 1.43 -0.51 -5.00 118.68 112.90 3f37 s LEU 44 Ca 0.36 -3.02 -0.05 0.00 -1.03 0.00 0.00 54.13 50.40 3f37 s LEU 44 Cb -0.08 -1.51 0.28 0.00 0.03 0.00 0.00 46.19 44.91 3f37 s LEU 44 CO 0.78 -0.22 1.81 -0.08 0.23 0.00 0.00 176.35 178.87 3f37 h GLU 45 N 6.43 1.04 -0.50 1.70 4.81 -1.94 -1.08 114.58 125.04 3f37 h GLU 45 Ca -0.04 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 3f37 h GLU 45 Cb 0.88 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 3f37 h GLU 45 CO 0.65 0.86 0.25 0.78 -0.73 0.00 0.00 179.01 180.82 3f37 h GLY 46 N 1.08 0.74 0.88 1.92 0.00 -1.91 0.77 103.07 106.54 3f37 h GLY 46 Ca 0.23 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 47.08 3f37 h GLY 46 CO -0.02 0.31 -0.54 -2.08 0.00 0.00 0.00 176.54 174.22 3f37 h VAL 47 N 0.70 1.37 -0.50 4.60 2.07 -1.61 -1.72 116.25 121.16 3f37 h VAL 47 Ca 0.18 -1.88 0.07 0.00 0.82 0.00 0.00 66.70 65.89 3f37 h VAL 47 Cb 0.06 2.26 -0.06 0.00 -1.52 0.00 0.00 31.29 32.02 3f37 h VAL 47 CO -0.03 0.56 0.17 0.00 0.02 0.00 0.00 177.57 178.29 3f37 h HIS 49 N 0.34 1.17 -0.21 0.00 3.86 -0.80 -0.18 115.15 119.33 3f37 h HIS 49 Ca 0.25 -0.15 0.04 0.00 -1.16 0.00 0.00 60.37 59.34 3f37 h HIS 49 Cb 0.28 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 3f37 h HIS 49 CO -0.17 0.96 -0.01 0.35 0.86 0.00 0.00 177.93 179.92 3f37 h PHE 50 N 1.04 -0.04 -0.02 2.45 3.57 -0.91 -0.72 116.94 122.32 3f37 h PHE 50 Ca 0.21 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.51 3f37 h PHE 50 Cb 0.40 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.19 3f37 h PHE 50 CO 0.03 -0.05 -0.90 0.74 -2.23 0.00 0.00 178.31 175.90 3f37 h PHE 51 N 0.05 0.62 -0.53 0.41 0.04 -1.10 -2.48 116.94 113.95 3f37 h PHE 51 Ca 0.10 -0.32 -0.05 0.00 2.80 0.00 0.00 57.97 60.50 3f37 h PHE 51 Cb 0.13 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 3f37 h PHE 51 CO -0.19 1.13 0.14 0.00 -0.60 0.00 0.00 178.31 178.79 3f37 h ARG 52 N 0.25 0.80 -0.85 1.51 3.08 -0.82 0.25 114.38 118.60 3f37 h ARG 52 Ca -0.07 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.79 3f37 h ARG 52 Cb 1.53 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.41 3f37 h ARG 52 CO 0.16 0.72 0.41 0.93 -1.07 0.00 0.00 179.97 181.11 3f37 h GLU 53 N 0.78 1.23 -0.31 0.04 4.39 -1.06 -2.30 114.58 117.34 3f37 h GLU 53 Ca 0.17 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 3f37 h GLU 53 Cb 0.27 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3f37 h GLU 53 CO -0.00 0.94 -0.23 -0.07 -1.16 0.00 0.00 179.01 178.49 3f37 h LEU 54 N 1.21 0.61 -0.72 1.33 3.38 -0.91 -1.63 115.31 118.57 3f37 h LEU 54 Ca 0.29 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.11 3f37 h LEU 54 Cb 0.12 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3f37 h LEU 54 CO -0.04 0.83 0.43 0.00 0.09 0.00 0.00 178.44 179.75 3f37 h ALA 55 N 1.22 0.97 -0.35 1.53 0.00 -0.59 -0.67 119.26 121.36 3f37 h ALA 55 Ca 0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3f37 h ALA 55 Cb 0.68 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3f37 h ALA 55 CO 0.05 0.16 0.10 1.49 0.00 0.00 0.00 179.25 181.05 3f37 h GLU 56 N 0.81 0.56 -0.88 0.00 4.81 -1.10 -1.95 114.58 116.83 3f37 h GLU 56 Ca 0.31 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3f37 h GLU 56 Cb 0.13 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 3f37 h GLU 56 CO -0.16 0.59 0.57 0.93 -0.73 0.00 0.00 179.01 180.22 3f37 h GLU 57 N 0.42 1.17 -0.31 1.92 4.39 -0.77 -0.53 114.58 120.87 3f37 h GLU 57 Ca 0.11 -0.08 -0.16 0.00 0.34 0.00 0.00 59.36 59.57 3f37 h GLU 57 Cb 0.28 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3f37 h GLU 57 CO -0.00 0.79 -0.46 0.87 -1.16 0.00 0.00 179.01 179.05 3f37 h LYS 58 N 1.20 0.82 -0.70 2.33 1.79 -1.02 -1.22 116.57 119.76 3f37 h LYS 58 Ca 0.32 -0.46 -0.01 0.00 -2.18 0.00 0.00 60.65 58.31 3f37 h LYS 58 Cb -0.12 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.53 3f37 h LYS 58 CO -0.07 1.10 0.38 -0.09 -1.08 0.00 0.00 179.45 179.70 3f37 h ARG 59 N 0.65 0.98 -0.78 3.15 2.43 -0.98 -1.26 114.38 118.57 3f37 h ARG 59 Ca 0.04 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3f37 h ARG 59 Cb 1.04 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.36 3f37 h ARG 59 CO 0.10 0.73 0.46 0.93 -1.51 0.00 0.00 179.97 180.69 3f37 h GLU 60 N 0.97 1.06 -0.25 0.20 5.08 -0.86 -0.92 114.58 119.86 3f37 h GLU 60 Ca 0.25 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3f37 h GLU 60 Cb 0.04 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3f37 h GLU 60 CO -0.04 0.75 0.15 0.78 -1.00 0.00 0.00 179.01 179.65 3f37 h GLY 61 N 1.10 0.37 0.83 -3.84 0.00 -0.76 -0.34 103.07 100.43 3f37 h GLY 61 Ca 0.28 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.49 3f37 h GLY 61 CO -0.05 0.15 0.50 0.00 0.00 0.00 0.00 176.54 177.14 3f37 h ALA 62 N 1.04 1.06 -0.45 3.60 0.00 -0.64 -1.52 119.26 122.35 3f37 h ALA 62 Ca 0.09 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3f37 h ALA 62 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3f37 h ALA 62 CO -0.02 0.29 -0.06 0.93 0.00 0.00 0.00 179.25 180.39 3f37 h GLU 63 N 0.96 0.79 -0.66 0.00 5.08 -0.79 -0.72 114.58 119.22 3f37 h GLU 63 Ca 0.33 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 3f37 h GLU 63 Cb 0.06 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3f37 h GLU 63 CO -0.13 0.83 0.09 0.00 -1.00 0.00 0.00 179.01 178.80 3f37 h ARG 64 N 0.72 1.12 -0.81 2.33 3.08 -0.66 -0.82 114.38 119.33 3f37 h ARG 64 Ca 0.13 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 3f37 h ARG 64 Cb 0.53 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 3f37 h ARG 64 CO 0.03 1.03 0.40 -0.07 -1.07 0.00 0.00 179.97 180.29 3f37 h LEU 65 N 1.04 1.06 -0.52 3.04 3.38 -0.94 -1.10 115.31 121.26 3f37 h LEU 65 Ca 0.20 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 3f37 h LEU 65 Cb 0.47 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3f37 h LEU 65 CO 0.02 0.89 -0.12 -0.07 0.09 0.00 0.00 178.44 179.24 3f37 h LEU 66 N 1.15 1.01 -0.51 1.67 3.38 -0.79 0.39 115.31 121.60 3f37 h LEU 66 Ca 0.28 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.91 3f37 h LEU 66 Cb 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3f37 h LEU 66 CO -0.04 1.13 0.31 0.50 0.09 0.00 0.00 178.44 180.44 3f37 h LYS 67 N 0.87 0.60 -0.53 1.13 3.64 -0.97 -2.28 116.57 119.03 3f37 h LYS 67 Ca 0.13 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3f37 h LYS 67 Cb 0.69 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 3f37 h LYS 67 CO 0.05 0.40 0.17 1.98 -2.27 0.00 0.00 179.45 179.78 3f37 h MET 68 N 0.62 0.83 -0.35 1.90 4.05 -0.82 -0.17 114.93 120.98 3f37 h MET 68 Ca 0.20 -0.18 0.07 0.00 -0.28 0.00 0.00 59.70 59.52 3f37 h MET 68 Cb 0.01 -0.12 -0.07 0.00 -0.80 0.00 0.00 31.60 30.62 3f37 h MET 68 CO -0.09 0.76 -0.14 0.37 0.23 0.00 0.00 176.91 178.04 3f37 h GLN 69 N 0.73 -0.07 -0.53 0.39 5.75 -0.70 -0.68 115.11 120.00 3f37 h GLN 69 Ca 0.17 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.60 3f37 h GLN 69 Cb 0.27 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 3f37 h GLN 69 CO -0.01 -0.05 0.01 -0.91 -2.65 0.00 0.00 178.83 175.23 3f37 h ASN 70 N -0.07 0.85 -0.34 -0.69 -0.26 -1.13 -0.89 115.58 113.06 3f37 h ASN 70 Ca 0.17 -0.21 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 3f37 h ASN 70 Cb 0.34 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.36 3f37 h ASN 70 CO -0.40 0.91 0.22 1.56 -1.06 0.00 0.00 177.43 178.66 3f37 h GLN 71 N 0.83 0.45 -0.00 0.81 4.20 -0.04 -2.02 115.11 119.33 3f37 h GLN 71 Ca 0.16 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3f37 h GLN 71 Cb 0.47 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3f37 h GLN 71 CO 0.02 0.30 -0.28 0.54 -0.67 0.00 0.00 178.83 178.74 3f37 n ARG 72 N -4.48 0.42 -0.71 1.46 5.12 -0.36 -4.94 116.66 113.17 3f37 n ARG 72 Ca 0.02 -0.21 0.00 0.00 -1.93 0.00 0.00 57.85 55.73 3f37 n ARG 72 Cb 0.07 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.87 3f37 n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3f37 n GLY 73 N 1.40 0.63 3.92 -0.13 0.00 -0.76 -4.19 105.19 106.06 3f37 n GLY 73 Ca 0.10 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 3f37 n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f37 s GLY 74 N -2.13 1.70 -0.16 -0.02 0.00 -0.38 -4.57 107.32 101.76 3f37 s GLY 74 Ca 0.00 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.77 3f37 s GLY 74 CO 0.00 -0.32 -0.14 0.50 0.00 0.00 0.00 173.10 173.14 3f37 s ARG 75 N -5.74 2.37 0.22 2.90 1.81 -1.26 -4.32 118.95 114.93 3f37 s ARG 75 Ca 0.69 -0.66 -0.31 0.00 -1.72 0.00 0.00 55.73 53.72 3f37 s ARG 75 Cb -0.07 -2.25 -0.11 0.00 -0.45 0.00 0.00 34.95 32.07 3f37 s ARG 75 CO 0.51 -0.27 1.60 0.00 -0.68 0.00 0.00 175.30 176.46 3f37 s ALA 76 N 1.43 3.79 -0.07 2.13 0.00 -1.26 -4.98 121.76 122.80 3f37 s ALA 76 Ca 0.04 1.47 0.01 0.00 0.00 0.00 0.00 51.96 53.48 3f37 s ALA 76 Cb -0.13 -3.64 0.02 0.00 0.00 0.00 0.00 23.12 19.37 3f37 s ALA 76 CO -0.11 -0.86 -0.08 -0.51 0.00 0.00 0.00 175.76 174.21 3f37 s LEU 77 N 0.53 1.32 -0.01 0.00 1.43 -1.26 -5.14 118.68 115.55 3f37 s LEU 77 Ca 0.68 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.53 3f37 s LEU 77 Cb -0.46 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 3f37 s LEU 77 CO 0.37 -0.06 0.14 -0.36 0.23 0.00 0.00 176.35 176.68 3f37 s PHE 78 N 1.15 3.44 0.43 0.29 0.08 -1.26 -4.87 117.98 117.24 3f37 s PHE 78 Ca -0.06 0.30 0.06 0.00 0.12 0.00 0.00 56.93 57.35 3f37 s PHE 78 Cb -0.14 -1.80 -0.06 0.00 -0.57 0.00 0.00 43.02 40.45 3f37 s PHE 78 CO -0.01 0.61 0.05 -0.65 -0.10 0.00 0.00 175.22 175.12 3f37 s GLN 79 N -1.81 2.05 0.59 0.44 -1.52 -1.26 -5.11 119.66 113.05 3f37 s GLN 79 Ca 0.25 -2.10 -0.18 0.00 -1.95 0.00 0.00 55.36 51.37 3f37 s GLN 79 Cb -0.12 -1.70 -0.06 0.00 -0.22 0.00 0.00 33.01 30.91 3f37 s GLN 79 CO 0.16 -0.13 0.87 -0.25 -0.25 0.00 0.00 175.29 175.70 3f37 n ASP 80 N -1.09 0.39 -4.48 5.90 8.00 -1.26 -4.95 116.55 119.06 3f37 n ASP 80 Ca -0.06 0.79 -0.42 0.00 0.71 0.00 0.00 54.79 55.81 3f37 n ASP 80 Cb 0.66 -1.34 -0.10 0.00 -0.02 0.00 0.00 41.12 40.32 3f37 n ASP 80 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3f37 s LEU 81 N -1.46 4.90 0.33 0.64 1.43 -1.26 -5.05 118.68 118.21 3f37 s LEU 81 Ca 0.74 -0.72 -0.29 0.00 -1.03 0.00 0.00 54.13 52.84 3f37 s LEU 81 Cb -0.42 -2.18 -0.11 0.00 0.03 0.00 0.00 46.19 43.51 3f37 s LEU 81 CO 0.48 -0.40 1.43 -1.10 0.23 0.00 0.00 176.35 176.99 3f37 s GLN 82 N 1.75 4.22 0.70 1.70 -1.52 -1.26 -4.97 119.66 120.28 3f37 s GLN 82 Ca 0.06 2.41 -0.17 0.00 -1.95 0.00 0.00 55.36 55.72 3f37 s GLN 82 Cb -0.18 -3.03 0.02 0.00 -0.22 0.00 0.00 33.01 29.59 3f37 s GLN 82 CO 0.11 -0.41 1.27 -1.59 -0.25 0.00 0.00 175.29 174.42 3f37 s LYS 83 N -1.56 2.27 0.88 2.91 -2.85 -1.26 -4.94 119.74 115.20 3f37 s LYS 83 Ca 0.53 1.98 -0.11 0.00 -1.00 0.00 0.00 55.97 57.37 3f37 s LYS 83 Cb -0.44 -1.82 0.12 0.00 -2.06 0.00 0.00 37.83 33.63 3f37 s LYS 83 CO 0.55 -1.79 1.11 -2.30 0.10 0.00 0.00 175.35 173.02 3f37 n PRO 84 N -2.32 -0.24 0.28 1.78 -0.02 -1.26 -4.89 135.00 128.33 3f37 n PRO 84 Ca 0.15 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.81 3f37 n PRO 84 Cb 0.49 -2.36 0.76 0.00 -0.02 0.00 0.00 33.50 32.37 3f37 n PRO 84 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3f37 h SER 85 N -1.55 0.00 -4.52 2.55 4.64 -1.98 -3.43 113.55 109.25 3f37 h SER 85 Ca -0.44 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.59 3f37 h SER 85 Cb 1.28 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.19 3f37 h SER 85 CO 0.42 0.02 -0.72 -1.10 -0.87 0.00 0.00 176.83 174.58 3f37 s GLN 86 N -3.76 0.77 -0.10 4.77 -0.21 -1.26 -5.04 119.66 114.83 3f37 s GLN 86 Ca 0.00 -1.11 0.17 0.00 0.02 0.00 0.00 55.36 54.44 3f37 s GLN 86 Cb 0.10 -0.40 -0.24 0.00 1.00 0.00 0.00 33.01 33.47 3f37 s GLN 86 CO 0.53 0.05 0.36 -0.25 -2.12 0.00 0.00 175.29 173.86 3f37 n ASP 87 N 0.62 0.30 -4.11 5.90 8.00 -1.26 -4.94 116.55 121.06 3f37 n ASP 87 Ca -0.17 0.14 -0.21 0.00 0.71 0.00 0.00 54.79 55.26 3f37 n ASP 87 Cb 0.58 0.82 -0.15 0.00 -0.02 0.00 0.00 41.12 42.35 3f37 n ASP 87 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3f37 s GLU 88 N -2.74 1.06 0.00 -1.24 2.02 -1.26 -4.99 118.70 111.55 3f37 s GLU 88 Ca -0.08 -0.54 0.08 0.00 0.02 0.00 0.00 54.97 54.46 3f37 s GLU 88 Cb 0.08 -1.03 0.22 0.00 0.10 0.00 0.00 34.13 33.50 3f37 s GLU 88 CO 0.84 0.28 1.16 0.91 0.02 0.00 0.00 175.26 178.46 3f37 n TRP 89 N 2.57 0.33 -3.94 1.61 7.02 -1.26 -5.08 117.44 118.69 3f37 n TRP 89 Ca -0.15 -0.45 0.00 0.00 -1.02 0.00 0.00 57.50 55.88 3f37 n TRP 89 Cb 0.55 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 3f37 n TRP 89 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3f37 n GLY 90 N 0.33 1.52 3.95 6.99 0.00 -1.26 -3.57 105.19 113.14 3f37 n GLY 90 Ca 0.09 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 3f37 n GLY 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3f37 s THR 91 N 0.00 2.28 0.30 2.61 -4.23 -1.26 -4.87 115.64 110.47 3f37 s THR 91 Ca 0.00 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 3f37 s THR 91 Cb 0.00 -2.92 0.28 0.00 1.34 0.00 0.00 72.50 71.20 3f37 s THR 91 CO 0.00 0.00 1.92 0.74 -0.54 0.00 0.00 174.62 176.74 3f37 h THR 92 N -0.59 1.09 -0.16 3.99 2.02 -1.98 -0.33 112.91 116.95 3f37 h THR 92 Ca -0.43 -0.36 0.01 0.00 0.77 0.00 0.00 66.41 66.40 3f37 h THR 92 Cb 1.30 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3f37 h THR 92 CO 0.53 0.19 0.08 0.25 0.37 0.00 0.00 175.52 176.95 3f37 h LEU 93 N 1.04 0.13 -0.65 2.58 5.85 -1.94 -0.17 115.31 122.15 3f37 h LEU 93 Ca 0.37 0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.11 3f37 h LEU 93 Cb 0.14 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3f37 h LEU 93 CO -0.13 0.10 0.42 0.44 -0.34 0.00 0.00 178.44 178.93 3f37 h ASP 94 N 0.18 0.71 -0.51 1.25 3.32 -1.65 -1.20 116.42 118.51 3f37 h ASP 94 Ca 0.06 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 3f37 h ASP 94 Cb 0.01 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3f37 h ASP 94 CO -0.04 0.50 0.09 0.00 -1.72 0.00 0.00 179.24 178.08 3f37 h ALA 95 N 1.26 0.68 -0.26 3.45 0.00 -0.78 -1.26 119.26 122.35 3f37 h ALA 95 Ca 0.25 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3f37 h ALA 95 Cb -0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3f37 h ALA 95 CO -0.07 0.41 -0.29 1.98 0.00 0.00 0.00 179.25 181.28 3f37 h MET 96 N 0.73 0.52 -0.28 0.00 1.85 -0.81 0.05 114.93 116.98 3f37 h MET 96 Ca 0.16 -0.21 -0.02 0.00 -0.61 0.00 0.00 59.70 59.01 3f37 h MET 96 Cb 0.39 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.38 3f37 h MET 96 CO 0.01 0.76 0.10 0.87 -0.40 0.00 0.00 176.91 178.24 3f37 h LYS 97 N 0.45 0.44 -0.99 0.39 1.57 -1.05 -1.46 116.57 115.93 3f37 h LYS 97 Ca 0.06 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3f37 h LYS 97 Cb 0.73 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.92 3f37 h LYS 97 CO 0.06 0.48 0.65 0.00 -0.57 0.00 0.00 179.45 180.07 3f37 h ALA 98 N 0.93 1.34 -0.51 3.86 0.00 -0.83 -1.72 119.26 122.32 3f37 h ALA 98 Ca 0.09 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3f37 h ALA 98 Cb 0.22 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3f37 h ALA 98 CO -0.00 0.58 0.04 0.00 0.00 0.00 0.00 179.25 179.87 3f37 h ALA 99 N 1.41 0.68 -0.64 0.00 0.00 -0.75 -1.26 119.26 118.70 3f37 h ALA 99 Ca 0.38 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3f37 h ALA 99 Cb -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3f37 h ALA 99 CO -0.11 0.46 0.31 0.82 0.00 0.00 0.00 179.25 180.73 3f37 h ILE 100 N 0.75 1.22 -0.42 0.00 2.04 -0.99 0.59 117.51 120.70 3f37 h ILE 100 Ca 0.15 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.44 3f37 h ILE 100 Cb 0.46 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3f37 h ILE 100 CO 0.02 0.25 0.20 0.58 0.00 0.00 0.00 178.15 179.20 3f37 h VAL 101 N 0.88 0.95 -0.15 1.67 2.07 -1.16 -0.60 116.25 119.92 3f37 h VAL 101 Ca 0.22 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 3f37 h VAL 101 Cb 0.11 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3f37 h VAL 101 CO -0.03 0.07 0.09 0.25 0.02 0.00 0.00 177.57 177.97 3f37 h LEU 102 N 0.40 0.18 -0.81 2.57 5.85 -0.82 -1.59 115.31 121.08 3f37 h LEU 102 Ca 0.18 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 3f37 h LEU 102 Cb 0.11 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3f37 h LEU 102 CO -0.14 0.17 0.31 -0.33 -0.34 0.00 0.00 178.44 178.10 3f37 h GLU 103 N 0.17 1.18 -0.33 1.25 4.39 -0.69 -1.13 114.58 119.42 3f37 h GLU 103 Ca 0.05 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.49 3f37 h GLU 103 Cb 0.02 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 3f37 h GLU 103 CO -0.01 0.96 -0.00 0.87 -1.16 0.00 0.00 179.01 179.67 3f37 h LYS 104 N 1.15 0.50 -0.47 2.33 1.57 -0.95 0.13 116.57 120.84 3f37 h LYS 104 Ca 0.26 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.80 3f37 h LYS 104 Cb 0.23 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3f37 h LYS 104 CO -0.02 0.53 -0.24 1.03 -0.57 0.00 0.00 179.45 180.18 3f37 h SER 105 N 0.48 1.01 -0.44 0.86 0.87 -0.58 -0.24 113.55 115.52 3f37 h SER 105 Ca 0.10 -0.40 -0.05 0.00 -1.23 0.00 0.00 61.79 60.22 3f37 h SER 105 Cb 0.32 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3f37 h SER 105 CO 0.01 1.20 0.10 -0.07 -0.53 0.00 0.00 176.83 177.53 3f37 h LEU 106 N 0.84 0.67 -0.76 2.23 3.38 -0.74 -1.76 115.31 119.18 3f37 h LEU 106 Ca 0.10 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3f37 h LEU 106 Cb 0.83 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3f37 h LEU 106 CO 0.07 0.74 0.45 -1.13 0.09 0.00 0.00 178.44 178.67 3f37 h ASN 107 N 0.58 0.91 -0.87 -0.43 -0.00 -0.58 0.04 115.58 115.23 3f37 h ASN 107 Ca 0.14 -0.07 -0.03 0.00 -0.00 0.00 0.00 56.30 56.34 3f37 h ASN 107 Cb 0.34 -0.23 -0.04 0.00 -0.00 0.00 0.00 38.32 38.39 3f37 h ASN 107 CO 0.00 0.71 0.44 -0.61 -0.00 0.00 0.00 177.43 177.97 3f37 h GLN 108 N 1.04 1.24 -0.82 6.67 5.75 -0.87 -0.09 115.11 128.02 3f37 h GLN 108 Ca 0.27 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.56 3f37 h GLN 108 Cb -0.03 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.25 3f37 h GLN 108 CO -0.05 0.93 0.35 0.00 -2.65 0.00 0.00 178.83 177.41 3f37 h ALA 109 N 1.25 1.06 -0.60 3.38 0.00 -0.50 0.10 119.26 123.95 3f37 h ALA 109 Ca 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3f37 h ALA 109 Cb 0.08 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3f37 h ALA 109 CO -0.04 0.67 0.34 -0.07 0.00 0.00 0.00 179.25 180.15 3f37 h LEU 110 N 1.18 0.75 -0.64 0.00 3.38 -0.38 -0.77 115.31 118.84 3f37 h LEU 110 Ca 0.28 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 3f37 h LEU 110 Cb 0.19 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3f37 h LEU 110 CO -0.03 0.62 0.09 -0.07 0.09 0.00 0.00 178.44 179.14 3f37 h LEU 111 N 0.82 1.02 -0.57 1.67 3.38 -0.65 0.16 115.31 121.14 3f37 h LEU 111 Ca 0.21 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3f37 h LEU 111 Cb 0.03 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3f37 h LEU 111 CO -0.04 1.03 0.30 0.44 0.09 0.00 0.00 178.44 180.27 3f37 h ASP 112 N 0.98 0.72 -0.42 -0.43 3.32 -0.58 -0.54 116.42 119.47 3f37 h ASP 112 Ca 0.19 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 3f37 h ASP 112 Cb 0.46 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3f37 h ASP 112 CO 0.02 0.62 -0.16 0.25 -1.72 0.00 0.00 179.24 178.25 3f37 h LEU 113 N 0.77 0.90 -0.67 1.55 5.85 -0.87 -0.92 115.31 121.92 3f37 h LEU 113 Ca 0.20 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.64 3f37 h LEU 113 Cb 0.07 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 3f37 h LEU 113 CO -0.03 1.05 0.42 -0.74 -0.34 0.00 0.00 178.44 178.80 3f37 h HIS 114 N 0.79 0.79 -0.68 1.25 2.76 -0.73 0.66 115.15 120.00 3f37 h HIS 114 Ca 0.12 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.27 3f37 h HIS 114 Cb 0.69 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.36 3f37 h HIS 114 CO 0.04 0.46 0.27 0.00 -1.30 0.00 0.00 177.93 177.40 3f37 h ALA 115 N 1.28 0.88 -0.30 5.26 0.00 -0.69 -0.02 119.26 125.66 3f37 h ALA 115 Ca 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3f37 h ALA 115 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3f37 h ALA 115 CO -0.10 0.50 0.18 1.25 0.00 0.00 0.00 179.25 181.08 3f37 h LEU 116 N 0.96 0.37 -0.74 0.00 5.85 -0.80 -0.71 115.31 120.24 3f37 h LEU 116 Ca 0.23 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3f37 h LEU 116 Cb 0.21 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 3f37 h LEU 116 CO -0.02 0.33 0.46 1.23 -0.34 0.00 0.00 178.44 180.10 3f37 h GLY 117 N 0.38 1.08 0.98 3.75 0.00 -0.38 0.11 103.07 108.99 3f37 h GLY 117 Ca 0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3f37 h GLY 117 CO -0.02 0.27 0.24 1.76 0.00 0.00 0.00 176.54 178.78 3f37 h SER 118 N 0.88 0.72 -0.17 0.19 0.02 -0.76 0.59 113.55 115.01 3f37 h SER 118 Ca 0.31 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 3f37 h SER 118 Cb 0.07 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3f37 h SER 118 CO -0.13 0.67 -0.03 0.00 -1.14 0.00 0.00 176.83 176.20 3f37 h ALA 119 N 1.08 1.41 -0.13 3.77 0.00 -0.47 -1.68 119.26 123.25 3f37 h ALA 119 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3f37 h ALA 119 Cb 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3f37 h ALA 119 CO -0.02 0.41 0.00 1.04 0.00 0.00 0.00 179.25 180.68 3f37 n GLN 120 N -4.28 1.61 -3.68 0.00 1.13 -0.04 -4.95 117.38 107.18 3f37 n GLN 120 Ca 0.01 -0.92 -0.26 0.00 -1.94 0.00 0.00 57.00 53.89 3f37 n GLN 120 Cb 0.25 -1.39 0.03 0.00 0.11 0.00 0.00 30.24 29.24 3f37 n GLN 120 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3f37 n ALA 121 N 0.14 -2.31 -3.81 -1.58 0.00 -0.46 -4.95 120.51 107.53 3f37 n ALA 121 Ca 0.16 -0.18 -0.31 0.00 0.00 0.00 0.00 53.44 53.11 3f37 n ALA 121 Cb 0.29 -3.32 -0.10 0.00 0.00 0.00 0.00 19.45 16.32 3f37 n ALA 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3f37 s ASP 122 N -3.85 5.16 0.45 0.00 -1.08 0.07 -4.95 116.67 112.48 3f37 s ASP 122 Ca 0.27 -3.65 0.25 0.00 -0.52 0.00 0.00 52.55 48.89 3f37 s ASP 122 Cb -0.08 -1.74 0.93 0.00 -1.46 0.00 0.00 42.92 40.57 3f37 s ASP 122 CO 0.84 -0.15 1.83 1.55 0.52 0.00 0.00 175.17 179.75 3f37 h PRO 123 N 5.82 0.00 -0.52 4.34 0.13 -1.93 -2.48 132.00 137.36 3f37 h PRO 123 Ca 0.11 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.19 3f37 h PRO 123 Cb 0.80 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 3f37 h PRO 123 CO 0.76 0.20 0.14 1.25 -0.23 0.00 0.00 178.00 180.11 3f37 h HIS 124 N 0.00 0.87 -0.19 1.56 2.76 -1.96 -0.42 115.15 117.77 3f37 h HIS 124 Ca -0.00 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.06 3f37 h HIS 124 Cb 0.74 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 3f37 h HIS 124 CO 0.00 0.76 0.09 1.25 -1.30 0.00 0.00 177.93 178.73 3f37 h LEU 125 N 0.73 0.24 -0.54 0.26 5.85 -1.89 0.13 115.31 120.09 3f37 h LEU 125 Ca 0.17 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3f37 h LEU 125 Cb 0.32 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3f37 h LEU 125 CO -0.00 0.28 0.30 0.00 -0.34 0.00 0.00 178.44 178.69 3f37 h ASP 127 N 0.59 0.71 -0.63 0.00 1.82 -0.90 -1.88 116.42 116.13 3f37 h ASP 127 Ca 0.23 -0.21 0.08 0.00 -0.39 0.00 0.00 57.03 56.73 3f37 h ASP 127 Cb 0.08 -0.19 -0.06 0.00 0.68 0.00 0.00 39.33 39.84 3f37 h ASP 127 CO -0.12 0.73 0.29 0.15 -1.61 0.00 0.00 179.24 178.68 3f37 h PHE 128 N 0.65 0.52 -0.30 0.28 3.57 -0.46 0.15 116.94 121.34 3f37 h PHE 128 Ca 0.15 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.50 3f37 h PHE 128 Cb 0.28 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.88 3f37 h PHE 128 CO 0.01 0.19 -0.53 -0.07 -2.23 0.00 0.00 178.31 175.69 3f37 h LEU 129 N 0.52 0.98 -0.23 0.59 3.38 -1.11 -1.92 115.31 117.53 3f37 h LEU 129 Ca 0.30 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3f37 h LEU 129 Cb 0.30 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3f37 h LEU 129 CO -0.25 1.32 0.03 -0.33 0.09 0.00 0.00 178.44 179.30 3f37 h GLU 130 N 0.67 0.38 -0.51 1.13 5.08 -0.92 -0.14 114.58 120.27 3f37 h GLU 130 Ca 0.02 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 3f37 h GLU 130 Cb 1.14 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 3f37 h GLU 130 CO 0.12 0.53 -0.05 0.77 -1.00 0.00 0.00 179.01 179.37 3f37 h SER 131 N 0.18 0.88 -0.00 1.42 0.02 -0.71 -3.34 113.55 112.00 3f37 h SER 131 Ca 0.07 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3f37 h SER 131 Cb 0.34 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3f37 h SER 131 CO 0.01 0.97 -0.28 1.41 -1.14 0.00 0.00 176.83 177.80 3f37 n HIS 132 N -4.17 0.00 0.01 3.45 8.25 -0.72 -4.90 115.22 117.13 3f37 n HIS 132 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3f37 n HIS 132 Cb 0.35 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.46 3f37 n HIS 132 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3f37 n PHE 133 N -1.06 -0.09 -0.18 4.41 3.72 -0.50 -4.71 117.46 119.06 3f37 n PHE 133 Ca 0.01 0.02 -0.08 0.00 -0.05 0.00 0.00 57.45 57.35 3f37 n PHE 133 Cb 0.10 0.30 0.02 0.00 -0.94 0.00 0.00 39.48 38.96 3f37 n PHE 133 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3f37 h LEU 134 N 0.00 0.65 -0.35 4.37 3.38 -1.20 -0.35 115.31 121.81 3f37 h LEU 134 Ca 0.00 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 3f37 h LEU 134 Cb 0.38 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3f37 h LEU 134 CO 0.00 0.57 -0.77 -0.78 0.09 0.00 0.00 178.44 177.55 3f37 h ASP 135 N 0.68 0.51 -0.67 -0.43 3.58 -1.83 -2.03 116.42 116.22 3f37 h ASP 135 Ca 0.18 -0.35 0.04 0.00 0.42 0.00 0.00 57.03 57.32 3f37 h ASP 135 Cb 0.08 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 40.93 3f37 h ASP 135 CO -0.03 1.10 0.41 -0.08 -2.88 0.00 0.00 179.24 177.76 3f37 h GLU 136 N 0.28 0.77 -0.24 0.28 4.81 -1.78 -0.55 114.58 118.15 3f37 h GLU 136 Ca -0.04 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 3f37 h GLU 136 Cb 1.36 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 3f37 h GLU 136 CO 0.13 0.51 0.00 0.93 -0.73 0.00 0.00 179.01 179.86 3f37 h GLU 137 N 0.79 0.42 -0.52 1.92 4.39 -0.96 -1.02 114.58 119.61 3f37 h GLU 137 Ca 0.28 -0.13 0.06 0.00 0.34 0.00 0.00 59.36 59.90 3f37 h GLU 137 Cb 0.05 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.61 3f37 h GLU 137 CO -0.12 0.60 0.23 0.28 -1.16 0.00 0.00 179.01 178.84 3f37 h VAL 138 N 0.20 0.90 -0.59 3.13 2.07 -1.00 -0.54 116.25 120.41 3f37 h VAL 138 Ca 0.07 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.44 3f37 h VAL 138 Cb 0.40 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3f37 h VAL 138 CO 0.01 0.08 0.39 0.11 0.02 0.00 0.00 177.57 178.19 3f37 h LYS 139 N 0.45 0.78 -0.49 1.57 1.57 -0.99 -1.49 116.57 117.97 3f37 h LYS 139 Ca 0.24 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.86 3f37 h LYS 139 Cb 0.20 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3f37 h LYS 139 CO -0.20 0.52 -0.13 1.25 -0.57 0.00 0.00 179.45 180.32 3f37 h LEU 140 N 0.80 0.96 -0.76 2.94 5.85 -0.79 -1.26 115.31 123.05 3f37 h LEU 140 Ca 0.22 -0.37 -0.09 0.00 0.84 0.00 0.00 57.88 58.49 3f37 h LEU 140 Cb -0.09 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.66 3f37 h LEU 140 CO -0.05 1.10 -0.01 0.40 -0.34 0.00 0.00 178.44 179.54 3f37 h ILE 141 N 0.80 1.26 -0.40 4.05 2.04 -0.96 0.09 117.51 124.39 3f37 h ILE 141 Ca 0.12 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.86 3f37 h ILE 141 Cb 0.69 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3f37 h ILE 141 CO 0.05 0.39 0.17 0.50 0.00 0.00 0.00 178.15 179.26 3f37 h LYS 142 N 0.85 0.59 -0.42 2.37 1.63 -1.07 0.11 116.57 120.64 3f37 h LYS 142 Ca 0.16 -0.10 0.02 0.00 -0.85 0.00 0.00 60.65 59.87 3f37 h LYS 142 Cb 0.52 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.03 3f37 h LYS 142 CO 0.03 0.55 0.26 -0.22 -3.45 0.00 0.00 179.45 176.62 3f37 h LYS 143 N 0.50 0.50 -0.71 1.90 3.64 -0.87 -0.24 116.57 121.29 3f37 h LYS 143 Ca 0.13 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3f37 h LYS 143 Cb 0.17 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 3f37 h LYS 143 CO -0.01 0.33 0.28 0.52 -2.27 0.00 0.00 179.45 178.30 3f37 h MET 144 N 0.52 1.06 -0.48 1.90 2.86 -0.74 0.03 114.93 120.09 3f37 h MET 144 Ca 0.17 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3f37 h MET 144 Cb -0.01 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 3f37 h MET 144 CO -0.07 0.87 0.16 0.78 1.06 0.00 0.00 176.91 179.71 3f37 h GLY 145 N 1.09 0.79 0.67 8.32 0.00 -0.59 0.88 103.07 114.23 3f37 h GLY 145 Ca 0.24 -0.45 0.05 0.00 0.00 0.00 0.00 47.33 47.16 3f37 h GLY 145 CO -0.02 0.43 0.21 -0.55 0.00 0.00 0.00 176.54 176.61 3f37 h ASP 146 N 0.63 0.28 -0.26 0.19 3.32 -0.67 -1.20 116.42 118.72 3f37 h ASP 146 Ca 0.15 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3f37 h ASP 146 Cb 0.25 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3f37 h ASP 146 CO -0.01 0.20 0.11 0.45 -1.72 0.00 0.00 179.24 178.28 3f37 h HIS 147 N 0.42 0.38 -0.60 4.55 3.86 -0.63 -1.94 115.15 121.19 3f37 h HIS 147 Ca 0.22 -0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.50 3f37 h HIS 147 Cb 0.17 -0.12 -0.07 0.00 1.06 0.00 0.00 27.41 28.45 3f37 h HIS 147 CO -0.12 0.37 0.22 1.25 0.86 0.00 0.00 177.93 180.51 3f37 h LEU 148 N 0.27 0.22 -0.71 2.43 5.85 -0.60 0.15 115.31 122.91 3f37 h LEU 148 Ca 0.09 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3f37 h LEU 148 Cb 0.14 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3f37 h LEU 148 CO -0.01 0.13 0.41 0.74 -0.34 0.00 0.00 178.44 179.37 3f37 h THR 149 N 0.40 1.21 -0.43 1.05 2.02 -1.00 0.36 112.91 116.52 3f37 h THR 149 Ca 0.30 -0.50 -0.13 0.00 0.77 0.00 0.00 66.41 66.84 3f37 h THR 149 Cb 0.37 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3f37 h THR 149 CO -0.30 0.23 -0.26 0.78 0.37 0.00 0.00 175.52 176.33 3f37 h ASN 150 N 0.98 0.94 -0.36 4.18 2.35 -0.68 -1.39 115.58 121.60 3f37 h ASN 150 Ca 0.25 -0.37 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 3f37 h ASN 150 Cb 0.01 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 3f37 h ASN 150 CO -0.04 1.15 0.13 0.40 -1.65 0.00 0.00 177.43 177.41 3f37 h ILE 151 N 0.78 1.20 -0.81 2.81 2.04 -0.43 -2.14 117.51 120.96 3f37 h ILE 151 Ca 0.09 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 3f37 h ILE 151 Cb 0.83 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 3f37 h ILE 151 CO 0.07 0.22 0.44 1.56 0.00 0.00 0.00 178.15 180.44 3f37 h GLN 152 N 0.44 1.12 -0.12 2.37 4.20 -0.80 -1.70 115.11 120.63 3f37 h GLN 152 Ca 0.12 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3f37 h GLN 152 Cb 0.22 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3f37 h GLN 152 CO -0.01 0.82 -0.19 -0.09 -0.67 0.00 0.00 178.83 178.70 3f37 h ARG 153 N 1.13 0.19 0.00 1.46 2.43 -1.03 -2.90 114.38 115.66 3f37 h ARG 153 Ca 0.28 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3f37 h ARG 153 Cb 0.03 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3f37 h ARG 153 CO -0.05 0.39 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.63 3f37 h LEU 154 N 0.18 0.00 -9.29 3.80 3.38 -0.65 -3.52 115.31 109.21 3f37 h LEU 154 Ca 0.03 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.46 3f37 h LEU 154 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3f37 h LEU 154 CO 0.03 0.06 1.07 -0.69 0.09 0.00 0.00 178.44 179.00 3f37 s VAL 155 N -3.18 3.50 0.00 1.22 1.01 -0.96 -4.17 120.40 117.82 3f37 s VAL 155 Ca 0.06 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.71 3f37 s VAL 155 Cb 0.05 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3f37 s VAL 155 CO 0.68 -0.05 0.00 0.00 0.00 0.00 0.00 175.10 175.73 3f37 n GLN 158 N 6.88 0.00 -0.17 2.72 1.13 -1.26 -5.06 117.38 121.62 3f37 n GLN 158 Ca 0.17 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 55.14 3f37 n GLN 158 Cb 0.42 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.78 3f37 n GLN 158 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3f37 h ALA 159 N 0.95 0.66 -0.21 -1.58 0.00 -2.00 -1.82 119.26 115.26 3f37 h ALA 159 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3f37 h ALA 159 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3f37 h ALA 159 CO 0.00 0.39 0.13 0.78 0.00 0.00 0.00 179.25 180.55 3f37 h GLY 160 N 0.69 0.29 0.82 0.00 0.00 -2.00 -1.00 103.07 101.88 3f37 h GLY 160 Ca 0.15 -0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.39 3f37 h GLY 160 CO 0.01 0.11 0.21 -2.00 0.00 0.00 0.00 176.54 174.87 3f37 h LEU 161 N 0.27 0.32 -0.87 3.11 5.85 -1.92 -1.85 115.31 120.21 3f37 h LEU 161 Ca 0.07 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3f37 h LEU 161 Cb -0.01 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3f37 h LEU 161 CO -0.02 0.23 0.52 1.23 -0.34 0.00 0.00 178.44 180.06 3f37 h GLY 162 N 0.43 1.27 0.97 3.75 0.00 -1.08 -0.95 103.07 107.46 3f37 h GLY 162 Ca 0.17 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 3f37 h GLY 162 CO -0.11 0.52 0.11 -2.09 0.00 0.00 0.00 176.54 174.97 3f37 h GLU 163 N 1.20 0.76 -0.08 4.80 4.81 -0.92 -1.52 114.58 123.63 3f37 h GLU 163 Ca 0.31 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3f37 h GLU 163 Cb -0.04 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3f37 h GLU 163 CO -0.06 0.75 0.02 -0.92 -0.73 0.00 0.00 179.01 178.07 3f37 h TYR 164 N 0.64 0.03 -0.67 0.92 3.20 -1.12 -2.28 116.97 117.69 3f37 h TYR 164 Ca 0.15 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 3f37 h TYR 164 Cb 0.34 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 3f37 h TYR 164 CO 0.02 0.01 0.22 -0.07 -1.64 0.00 0.00 178.16 176.71 3f37 h LEU 165 N 0.05 0.93 -0.39 2.82 3.38 -0.99 -0.66 115.31 120.45 3f37 h LEU 165 Ca 0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3f37 h LEU 165 Cb 0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3f37 h LEU 165 CO -0.04 0.86 0.15 0.15 0.09 0.00 0.00 178.44 179.65 3f37 h PHE 166 N 0.98 0.60 -0.63 1.13 3.57 -1.23 0.11 116.94 121.46 3f37 h PHE 166 Ca 0.22 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 3f37 h PHE 166 Cb 0.25 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 3f37 h PHE 166 CO 0.02 0.54 0.22 1.49 -2.23 0.00 0.00 178.31 178.36 3f37 h GLU 167 N 0.48 0.94 -0.02 1.11 4.22 -1.05 -1.11 114.58 119.16 3f37 h GLU 167 Ca 0.13 -0.17 -0.26 0.00 0.08 0.00 0.00 59.36 59.14 3f37 h GLU 167 Cb 0.21 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 29.32 3f37 h GLU 167 CO -0.01 0.79 -1.02 0.00 -2.18 0.00 0.00 179.01 176.60 3f37 h ARG 168 N 0.92 0.72 0.00 1.92 2.47 -0.88 -3.24 114.38 116.29 3f37 h ARG 168 Ca 0.21 -0.75 0.00 0.00 -1.26 0.00 0.00 59.98 58.18 3f37 h ARG 168 Cb 0.22 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 3f37 h ARG 168 CO -0.01 1.32 -1.70 1.28 0.56 0.00 0.00 179.97 181.42 3f37 n LEU 169 N -3.86 0.04 -0.11 3.04 4.77 0.37 -4.62 117.00 116.62 3f37 n LEU 169 Ca -0.11 -0.02 -0.21 0.00 -0.03 0.00 0.00 56.01 55.64 3f37 n LEU 169 Cb 0.87 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.88 3f37 n LEU 169 CO 0.56 0.01 -1.22 0.41 -1.33 0.00 0.00 177.39 175.82 3f37 n THR 170 N -2.04 1.17 1.60 -5.08 -1.04 -0.44 -5.06 114.28 103.39 3f37 n THR 170 Ca -0.03 -0.34 0.14 0.00 -2.04 0.00 0.00 64.05 61.79 3f37 n THR 170 Cb 0.42 -1.64 0.61 0.00 -1.82 0.00 0.00 70.33 67.89 3f37 n THR 170 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61