#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cct s VAL 17 N 0.00 5.19 0.25 6.31 1.01 -1.26 -4.46 120.40 127.44 2cct s VAL 17 Ca 0.00 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.06 2cct s VAL 17 Cb 0.00 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 2cct s VAL 17 CO 0.00 -0.36 0.67 -1.61 0.00 0.00 0.00 175.10 173.79 2cct s GLU 18 N 1.66 4.03 -0.07 2.72 2.02 -0.80 -4.97 118.70 123.28 2cct s GLU 18 Ca 0.05 0.62 0.04 0.00 0.02 0.00 0.00 54.97 55.70 2cct s GLU 18 Cb -0.20 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.35 2cct s GLU 18 CO 0.09 0.30 -0.20 0.99 0.02 0.00 0.00 175.26 176.46 2cct s THR 19 N -1.74 1.73 -0.02 3.63 2.01 -1.26 -2.42 115.64 117.57 2cct s THR 19 Ca 0.47 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.67 2cct s THR 19 Cb -0.13 -1.50 -0.01 0.00 0.01 0.00 0.00 72.50 70.87 2cct s THR 19 CO 0.19 0.49 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.09 2cct s PHE 20 N 0.26 1.44 0.17 4.92 0.40 -0.23 -4.99 117.98 119.95 2cct s PHE 20 Ca -0.12 -0.30 -0.26 0.00 -0.60 0.00 0.00 56.93 55.65 2cct s PHE 20 Cb -0.15 -0.94 -0.08 0.00 0.51 0.00 0.00 43.02 42.36 2cct s PHE 20 CO 0.06 -0.05 0.79 0.00 0.70 0.00 0.00 175.22 176.72 2cct s ALA 21 N -0.28 3.44 0.30 5.36 0.00 -1.26 -0.93 121.76 128.38 2cct s ALA 21 Ca 0.04 0.38 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 2cct s ALA 21 Cb -0.07 -2.98 -0.10 0.00 0.00 0.00 0.00 23.12 19.97 2cct s ALA 21 CO -0.00 0.27 1.36 -0.06 0.00 0.00 0.00 175.76 177.33 2cct s PHE 22 N -1.09 3.02 0.66 0.00 0.08 -0.69 -4.91 117.98 115.04 2cct s PHE 22 Ca 0.36 1.27 -0.17 0.00 0.12 0.00 0.00 56.93 58.52 2cct s PHE 22 Cb -0.23 -3.74 -0.05 0.00 -0.57 0.00 0.00 43.02 38.43 2cct s PHE 22 CO 0.27 -2.18 0.62 1.04 -0.10 0.00 0.00 175.22 174.87 2cct n GLN 23 N 1.33 0.46 -0.25 0.44 6.02 -1.26 -4.70 117.38 119.42 2cct n GLN 23 Ca 0.02 0.20 0.12 0.00 -0.01 0.00 0.00 57.00 57.33 2cct n GLN 23 Cb 0.41 -1.87 0.40 0.00 1.02 0.00 0.00 30.24 30.20 2cct n GLN 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2cct h ALA 24 N -0.06 1.88 -0.03 -1.58 0.00 -1.99 -1.38 119.26 116.10 2cct h ALA 24 Ca -0.46 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 2cct h ALA 24 Cb 1.37 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.05 2cct h ALA 24 CO 0.45 -0.11 -0.32 0.93 0.00 0.00 0.00 179.25 180.20 2cct h GLU 25 N 0.65 0.28 -0.47 0.00 3.07 -1.96 -1.81 114.58 114.33 2cct h GLU 25 Ca 0.43 -0.26 0.06 0.00 -0.50 0.00 0.00 59.36 59.10 2cct h GLU 25 Cb 0.73 0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.65 2cct h GLU 25 CO -0.19 0.93 0.16 0.82 -1.40 0.00 0.00 179.01 179.33 2cct h ILE 26 N -0.28 0.83 -0.24 3.13 5.03 -1.76 0.01 117.51 124.23 2cct h ILE 26 Ca -0.03 -0.11 0.00 0.00 -0.12 0.00 0.00 64.86 64.60 2cct h ILE 26 Cb 1.01 0.47 -0.01 0.00 -3.03 0.00 0.00 36.82 35.27 2cct h ILE 26 CO 0.07 0.06 0.16 0.00 -0.68 0.00 0.00 178.15 177.75 2cct h ALA 27 N 1.32 1.83 -0.00 1.87 0.00 -1.02 0.14 119.26 123.39 2cct h ALA 27 Ca 0.23 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 2cct h ALA 27 Cb 0.24 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2cct h ALA 27 CO -0.24 0.16 -0.48 1.96 0.00 0.00 0.00 179.25 180.65 2cct h GLN 28 N 0.32 0.33 0.17 0.00 4.20 -0.85 -2.26 115.11 117.02 2cct h GLN 28 Ca 0.09 -0.35 0.01 0.00 0.06 0.00 0.00 58.65 58.46 2cct h GLN 28 Cb -0.03 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2cct h GLN 28 CO -0.02 1.04 -0.22 1.25 -0.67 0.00 0.00 178.83 180.21 2cct h LEU 29 N -0.24 -0.60 -0.78 1.46 5.85 0.08 -0.14 115.31 120.94 2cct h LEU 29 Ca -0.06 0.06 0.17 0.00 0.84 0.00 0.00 57.88 58.89 2cct h LEU 29 Cb 1.21 0.22 -0.11 0.00 0.37 0.00 0.00 40.66 42.34 2cct h LEU 29 CO 0.09 -0.32 0.24 0.24 -0.34 0.00 0.00 178.44 178.36 2cct h MET 30 N -0.44 0.32 -0.17 1.25 2.86 -0.80 0.26 114.93 118.21 2cct h MET 30 Ca 0.01 -0.02 -0.15 0.00 -2.06 0.00 0.00 59.70 57.48 2cct h MET 30 Cb 0.44 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2cct h MET 30 CO -0.08 0.21 -0.52 0.77 1.06 0.00 0.00 176.91 178.34 2cct h SER 31 N 0.32 0.52 -0.53 1.22 0.02 -1.24 -0.78 113.55 113.09 2cct h SER 31 Ca 0.45 -0.27 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 2cct h SER 31 Cb 0.77 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 2cct h SER 31 CO -0.50 0.95 -0.09 0.25 -1.14 0.00 0.00 176.83 176.30 2cct h LEU 32 N 0.37 1.00 -0.37 5.07 6.46 -0.23 -2.31 115.31 125.30 2cct h LEU 32 Ca 0.01 -0.32 -0.07 0.00 -0.12 0.00 0.00 57.88 57.38 2cct h LEU 32 Cb 1.04 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 2cct h LEU 32 CO 0.09 1.10 -0.05 0.40 -0.62 0.00 0.00 178.44 179.37 2cct h ILE 33 N 0.90 1.27 -0.02 4.05 2.04 -0.25 -2.08 117.51 123.42 2cct h ILE 33 Ca 0.15 -1.08 -0.11 0.00 1.00 0.00 0.00 64.86 64.81 2cct h ILE 33 Cb 0.64 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2cct h ILE 33 CO 0.04 0.36 -0.49 0.40 0.00 0.00 0.00 178.15 178.46 2cct h ILE 34 N 0.49 1.35 0.00 -0.67 2.04 -1.11 -3.37 117.51 116.24 2cct h ILE 34 Ca 0.10 -1.70 -0.28 0.00 1.00 0.00 0.00 64.86 63.98 2cct h ILE 34 Cb 0.54 1.89 -0.05 0.00 -0.74 0.00 0.00 36.82 38.45 2cct h ILE 34 CO 0.03 0.49 -2.06 0.59 0.00 0.00 0.00 178.15 177.20 2cct n ASN 35 N -3.95 1.51 -4.68 1.72 3.02 -0.87 -4.94 115.26 107.06 2cct n ASN 35 Ca -0.02 -0.02 -0.42 0.00 -0.03 0.00 0.00 54.58 54.09 2cct n ASN 35 Cb 0.51 0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 40.28 2cct n ASN 35 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2cct s THR 36 N -2.37 3.00 0.10 3.41 2.01 -0.78 -4.91 115.64 116.10 2cct s THR 36 Ca -0.12 0.29 -0.31 0.00 0.31 0.00 0.00 61.69 61.86 2cct s THR 36 Cb 0.05 -3.18 -0.09 0.00 0.01 0.00 0.00 72.50 69.29 2cct s THR 36 CO 0.59 -0.01 1.67 0.12 -0.69 0.00 0.00 174.62 176.30 2cct s PHE 37 N 3.42 2.49 -0.30 4.92 5.36 -1.26 -4.95 117.98 127.66 2cct s PHE 37 Ca 0.80 0.31 -0.06 0.00 -0.96 0.00 0.00 56.93 57.01 2cct s PHE 37 Cb -0.41 -4.00 0.19 0.00 -0.34 0.00 0.00 43.02 38.45 2cct s PHE 37 CO 0.35 -3.99 0.88 -0.47 -1.46 0.00 0.00 175.22 170.53 2cct s TYR 38 N 2.38 -0.98 0.28 10.12 5.04 -1.26 -5.08 117.35 127.84 2cct s TYR 38 Ca 0.75 0.73 0.04 0.00 -2.44 0.00 0.00 57.07 56.14 2cct s TYR 38 Cb -0.42 0.23 0.40 0.00 0.35 0.00 0.00 41.96 42.52 2cct s TYR 38 CO 0.33 -0.56 1.69 0.77 -1.34 0.00 0.00 175.55 176.44 2cct h SER 39 N 7.72 0.40 0.00 4.32 0.02 -2.04 -3.36 113.55 120.61 2cct h SER 39 Ca -0.10 -0.16 -0.34 0.00 -0.84 0.00 0.00 61.79 60.35 2cct h SER 39 Cb 1.18 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 2cct h SER 39 CO 0.01 0.72 1.40 -3.20 -1.14 0.00 0.00 176.83 174.62 2cct n ASN 40 N -4.07 5.81 0.07 3.07 4.05 -1.26 -4.64 115.26 118.29 2cct n ASN 40 Ca -0.01 -2.40 0.09 0.00 0.45 0.00 0.00 54.58 52.71 2cct n ASN 40 Cb 0.45 -1.29 0.39 0.00 1.23 0.00 0.00 39.78 40.56 2cct n ASN 40 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2cct n LYS 41 N 3.12 0.10 0.26 1.20 5.02 -1.26 -3.62 118.16 122.98 2cct n LYS 41 Ca 0.50 0.37 0.09 0.00 -2.02 0.00 0.00 58.31 57.25 2cct n LYS 41 Cb 0.52 -1.70 0.65 0.00 -0.02 0.00 0.00 35.03 34.48 2cct n LYS 41 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 2cct h GLU 42 N 0.00 0.00 -0.84 1.97 4.11 -1.96 -2.77 114.58 115.09 2cct h GLU 42 Ca 0.00 0.00 0.24 0.00 0.07 0.00 0.00 59.36 59.67 2cct h GLU 42 Cb 0.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2cct h GLU 42 CO 0.00 0.05 0.75 -0.84 0.07 0.00 0.00 179.01 179.03 2cct h ILE 43 N 0.00 0.33 -0.90 -1.06 -0.00 -1.99 -2.40 117.51 111.50 2cct h ILE 43 Ca -0.00 0.00 0.20 0.00 -0.00 0.00 0.00 64.86 65.06 2cct h ILE 43 Cb 0.09 0.44 -0.12 0.00 -0.00 0.00 0.00 36.82 37.23 2cct h ILE 43 CO 0.01 0.00 0.43 2.19 -0.00 0.00 0.00 178.15 180.77 2cct h PHE 44 N 0.00 0.72 -0.42 0.16 -0.00 -1.77 -0.61 116.94 115.03 2cct h PHE 44 Ca 0.40 0.04 -0.03 0.00 -0.00 0.00 0.00 57.97 58.38 2cct h PHE 44 Cb 1.89 -0.18 -0.02 0.00 -0.00 0.00 0.00 35.95 37.64 2cct h PHE 44 CO 0.00 0.02 0.16 1.25 -0.00 0.00 0.00 178.31 179.74 2cct h LEU 45 N 0.48 0.59 -0.85 2.10 5.85 -1.70 -2.18 115.31 119.59 2cct h LEU 45 Ca 0.54 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 59.12 2cct h LEU 45 Cb 0.97 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 2cct h LEU 45 CO -0.48 0.61 0.55 -0.09 -0.34 0.00 0.00 178.44 178.68 2cct h ARG 46 N 0.54 1.03 -0.38 1.25 2.43 -1.30 -1.17 114.38 116.78 2cct h ARG 46 Ca 0.14 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 2cct h ARG 46 Cb 0.21 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2cct h ARG 46 CO -0.01 0.68 -0.23 0.93 -1.51 0.00 0.00 179.97 179.83 2cct h GLU 47 N 1.06 0.75 0.52 0.20 4.39 -0.91 -1.31 114.58 119.27 2cct h GLU 47 Ca 0.34 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 2cct h GLU 47 Cb 0.02 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2cct h GLU 47 CO -0.12 0.91 -0.25 -0.07 -1.16 0.00 0.00 179.01 178.32 2cct h LEU 48 N 0.65 -0.59 -1.17 1.33 3.38 -0.98 -1.23 115.31 116.70 2cct h LEU 48 Ca 0.09 -0.06 0.21 0.00 0.09 0.00 0.00 57.88 58.21 2cct h LEU 48 Cb 0.74 0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.54 2cct h LEU 48 CO 0.06 -0.25 0.62 0.40 0.09 0.00 0.00 178.44 179.35 2cct h ILE 49 N -0.94 0.65 0.00 1.22 2.04 -1.28 -0.30 117.51 118.89 2cct h ILE 49 Ca -0.07 -0.21 -0.13 0.00 1.00 0.00 0.00 64.86 65.45 2cct h ILE 49 Cb 0.61 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 2cct h ILE 49 CO 0.12 0.11 -0.63 -1.28 0.00 0.00 0.00 178.15 176.47 2cct h SER 50 N 0.61 0.00 -0.24 1.72 0.87 -1.11 -1.32 113.55 114.08 2cct h SER 50 Ca 0.57 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 61.06 2cct h SER 50 Cb 1.09 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 2cct h SER 50 CO -0.33 0.63 -0.12 0.78 -0.53 0.00 0.00 176.83 177.26 2cct h ASN 51 N 0.00 0.52 -0.49 6.23 4.21 0.14 -2.06 115.58 124.13 2cct h ASN 51 Ca -0.01 -0.41 0.08 0.00 1.21 0.00 0.00 56.30 57.17 2cct h ASN 51 Cb 1.20 -0.14 -0.06 0.00 -1.12 0.00 0.00 38.32 38.20 2cct h ASN 51 CO 0.08 0.81 0.12 0.28 -1.29 0.00 0.00 177.43 177.43 2cct h SER 52 N 0.22 0.04 0.33 5.81 0.02 -1.03 -1.85 113.55 117.10 2cct h SER 52 Ca 0.05 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2cct h SER 52 Cb 0.62 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2cct h SER 52 CO 0.04 0.05 -0.17 -1.28 -1.14 0.00 0.00 176.83 174.33 2cct h SER 53 N 0.26 -0.40 -0.99 3.07 0.87 -1.11 -0.94 113.55 114.31 2cct h SER 53 Ca 0.24 0.02 0.35 0.00 -1.23 0.00 0.00 61.79 61.16 2cct h SER 53 Cb 0.31 0.11 -0.18 0.00 -0.44 0.00 0.00 62.40 62.20 2cct h SER 53 CO -0.30 -0.28 0.34 0.44 -0.53 0.00 0.00 176.83 176.50 2cct h ASP 54 N -0.46 0.03 1.46 6.23 3.32 -1.31 0.13 116.42 125.82 2cct h ASP 54 Ca -0.04 0.26 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 2cct h ASP 54 Cb 0.35 0.34 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 2cct h ASP 54 CO 0.07 -0.37 -0.30 0.00 -1.72 0.00 0.00 179.24 176.93 2cct h ALA 55 N 1.97 0.85 0.15 3.45 0.00 -0.66 -2.89 119.26 122.13 2cct h ALA 55 Ca 0.73 -0.27 -0.33 0.00 0.00 0.00 0.00 54.91 55.05 2cct h ALA 55 Cb 1.77 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2cct h ALA 55 CO -0.80 0.37 -1.61 -0.07 0.00 0.00 0.00 179.25 177.13 2cct h LEU 56 N 0.00 0.50 -0.78 0.00 3.38 0.24 -0.63 115.31 118.02 2cct h LEU 56 Ca -0.00 -0.71 0.18 0.00 0.09 0.00 0.00 57.88 57.44 2cct h LEU 56 Cb 1.11 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.57 2cct h LEU 56 CO 0.04 1.59 0.21 0.44 0.09 0.00 0.00 178.44 180.81 2cct h ASP 57 N 0.09 0.04 -0.24 -0.43 3.32 -0.78 -0.56 116.42 117.86 2cct h ASP 57 Ca -0.28 0.16 -0.20 0.00 0.02 0.00 0.00 57.03 56.73 2cct h ASP 57 Cb 2.06 0.20 0.00 0.00 0.22 0.00 0.00 39.33 41.81 2cct h ASP 57 CO 0.18 -0.05 -0.62 0.11 -1.72 0.00 0.00 179.24 177.13 2cct h LYS 58 N 0.28 0.85 -0.10 3.56 1.57 -1.42 -0.20 116.57 121.11 2cct h LYS 58 Ca 0.45 -0.59 -0.15 0.00 -1.87 0.00 0.00 60.65 58.50 2cct h LYS 58 Cb 0.81 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 2cct h LYS 58 CO -0.54 1.21 -0.59 0.97 -0.57 0.00 0.00 179.45 179.93 2cct h ILE 59 N 0.63 1.37 0.09 1.86 6.09 -1.31 -2.51 117.51 123.74 2cct h ILE 59 Ca -0.01 -1.93 -0.00 0.00 -1.37 0.00 0.00 64.86 61.55 2cct h ILE 59 Cb 1.24 1.94 0.00 0.00 0.47 0.00 0.00 36.82 40.47 2cct h ILE 59 CO 0.13 0.58 -0.04 -0.09 -3.07 0.00 0.00 178.15 175.66 2cct h ARG 60 N 0.24 -0.12 -0.28 2.19 2.43 -0.59 -0.88 114.38 117.37 2cct h ARG 60 Ca -0.00 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2cct h ARG 60 Cb 1.10 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.60 2cct h ARG 60 CO 0.10 0.03 -0.48 -0.92 -1.51 0.00 0.00 179.97 177.18 2cct h TYR 61 N -0.24 -1.42 -1.00 2.20 3.20 -1.08 -1.22 116.97 117.41 2cct h TYR 61 Ca -0.01 0.07 0.16 0.00 3.14 0.00 0.00 58.73 62.09 2cct h TYR 61 Cb 0.20 0.66 -0.10 0.00 1.54 0.00 0.00 36.73 39.04 2cct h TYR 61 CO -0.03 -0.49 0.62 0.93 -1.64 0.00 0.00 178.16 177.55 2cct h GLU 62 N -0.44 0.81 0.00 1.82 5.08 -1.39 -0.80 114.58 119.65 2cct h GLU 62 Ca 0.09 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2cct h GLU 62 Cb 0.62 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2cct h GLU 62 CO -0.51 0.53 0.00 0.25 -1.00 0.00 0.00 179.01 178.28 2cct n THR 63 N -4.69 0.91 0.15 1.13 -2.24 -0.34 -2.78 114.28 106.41 2cct n THR 63 Ca 0.21 0.23 0.02 0.00 -2.27 0.00 0.00 64.05 62.25 2cct n THR 63 Cb 0.50 -1.07 0.37 0.00 -2.10 0.00 0.00 70.33 68.04 2cct n THR 63 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2cct h LEU 64 N 0.00 0.14 0.00 3.22 3.38 -0.83 -3.26 115.31 117.96 2cct h LEU 64 Ca 0.00 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 2cct h LEU 64 Cb 0.31 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2cct h LEU 64 CO 0.00 0.39 -1.75 0.35 0.09 0.00 0.00 178.44 177.51 2cct n THR 65 N -4.20 0.63 -3.87 0.22 -2.24 -1.12 -4.88 114.28 98.82 2cct n THR 65 Ca -0.01 -0.45 -0.30 0.00 -2.27 0.00 0.00 64.05 61.01 2cct n THR 65 Cb 0.33 -0.49 -0.15 0.00 -2.10 0.00 0.00 70.33 67.92 2cct n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cct s ASP 66 N -4.22 4.22 0.38 3.42 -1.08 -1.12 -5.04 116.67 113.23 2cct s ASP 66 Ca -0.06 -1.71 0.16 0.00 -0.52 0.00 0.00 52.55 50.43 2cct s ASP 66 Cb 0.04 -1.18 0.76 0.00 -1.46 0.00 0.00 42.92 41.09 2cct s ASP 66 CO 0.49 -0.37 1.80 -0.65 0.52 0.00 0.00 175.17 176.97 2cct h PRO 67 N 7.90 0.00 -0.46 4.34 0.11 -1.86 -2.76 132.00 139.27 2cct h PRO 67 Ca -0.11 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.13 2cct h PRO 67 Cb 1.03 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2cct h PRO 67 CO 0.47 0.37 0.35 0.66 -0.21 0.00 0.00 178.00 179.64 2cct h SER 68 N 0.00 0.00 -0.52 -2.05 4.64 -1.96 -1.63 113.55 112.03 2cct h SER 68 Ca -0.00 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.47 2cct h SER 68 Cb 0.75 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 2cct h SER 68 CO 0.05 0.00 0.94 0.11 -0.87 0.00 0.00 176.83 177.06 2cct h LYS 69 N 0.00 0.00 -0.50 4.77 1.79 -1.85 0.10 116.57 120.88 2cct h LYS 69 Ca 0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 2cct h LYS 69 Cb 0.91 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 2cct h LYS 69 CO -0.00 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.65 2cct n LEU 70 N -3.06 4.39 0.04 2.94 4.77 -0.61 -4.34 117.00 121.13 2cct n LEU 70 Ca 0.11 -2.57 -0.03 0.00 -0.03 0.00 0.00 56.01 53.49 2cct n LEU 70 Cb 1.11 -0.53 0.22 0.00 -2.33 0.00 0.00 43.42 41.89 2cct n LEU 70 CO 0.16 0.75 0.72 0.44 -1.33 0.00 0.00 177.39 178.13 2cct h ASP 71 N 3.20 0.42 -0.03 -1.43 3.32 -0.99 -2.13 116.42 118.78 2cct h ASP 71 Ca 0.00 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 2cct h ASP 71 Cb 1.40 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 2cct h ASP 71 CO 0.23 0.69 0.02 -1.54 -1.72 0.00 0.00 179.24 176.92 2cct n SER 72 N -4.11 3.45 0.00 6.45 3.41 -1.26 -4.81 113.62 116.75 2cct n SER 72 Ca -0.01 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 2cct n SER 72 Cb 0.42 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 2cct n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cct n GLY 73 N 0.63 3.03 0.03 5.00 0.00 -0.81 -3.77 105.19 109.31 2cct n GLY 73 Ca 0.02 -1.22 0.11 0.00 0.00 0.00 0.00 46.02 44.93 2cct n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cct n LYS 74 N 0.91 0.37 -2.71 1.61 5.02 -1.18 -4.74 118.16 117.43 2cct n LYS 74 Ca 0.00 -0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.83 2cct n LYS 74 Cb 0.00 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.39 2cct n LYS 74 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2cct s GLU 75 N -3.26 4.48 -0.30 1.97 -1.05 -1.26 -5.03 118.70 114.24 2cct s GLU 75 Ca 0.01 1.38 -0.00 0.00 -0.15 0.00 0.00 54.97 56.21 2cct s GLU 75 Cb 0.14 -3.51 0.06 0.00 -0.44 0.00 0.00 34.13 30.38 2cct s GLU 75 CO 0.83 -0.20 -0.01 -0.51 0.95 0.00 0.00 175.26 176.33 2cct s LEU 76 N 1.57 3.91 0.23 1.83 1.43 -1.26 -4.75 118.68 121.65 2cct s LEU 76 Ca 0.49 -1.38 -0.16 0.00 -1.03 0.00 0.00 54.13 52.05 2cct s LEU 76 Cb -0.19 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.36 2cct s LEU 76 CO 0.22 -0.27 0.55 -1.38 0.23 0.00 0.00 176.35 175.70 2cct s HIS 77 N 1.20 0.06 -0.10 0.29 -3.43 -1.26 -4.49 115.29 107.55 2cct s HIS 77 Ca -0.05 -0.44 -0.00 0.00 -0.80 0.00 0.00 55.06 53.78 2cct s HIS 77 Cb -0.20 0.38 0.02 0.00 -1.43 0.00 0.00 32.58 31.36 2cct s HIS 77 CO -0.02 -1.02 -0.08 0.42 -2.00 0.00 0.00 174.74 172.03 2cct s ILE 78 N -3.94 1.02 0.04 -5.38 1.01 -0.91 -2.92 121.20 110.12 2cct s ILE 78 Ca 0.15 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.52 2cct s ILE 78 Cb -0.02 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 2cct s ILE 78 CO 0.04 0.36 0.04 0.20 0.00 0.00 0.00 174.94 175.59 2cct s ASN 79 N 1.55 5.35 -0.19 3.58 0.02 -0.48 -1.67 114.94 123.10 2cct s ASN 79 Ca 0.02 -0.01 -0.00 0.00 -1.02 0.00 0.00 52.86 51.84 2cct s ASN 79 Cb -0.13 -1.42 0.01 0.00 0.02 0.00 0.00 41.25 39.74 2cct s ASN 79 CO -0.06 0.22 -0.16 -0.76 0.02 0.00 0.00 177.10 176.36 2cct s LEU 80 N -2.02 2.35 -0.42 0.60 1.43 0.18 -1.43 118.68 119.37 2cct s LEU 80 Ca 0.25 -0.58 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 2cct s LEU 80 Cb -0.12 -1.55 0.12 0.00 0.03 0.00 0.00 46.19 44.67 2cct s LEU 80 CO 0.17 -0.00 0.16 -0.63 0.23 0.00 0.00 176.35 176.27 2cct s ILE 81 N 1.33 2.15 0.47 -0.59 1.01 -0.11 0.09 121.20 125.55 2cct s ILE 81 Ca 0.05 -2.66 -0.19 0.00 0.00 0.00 0.00 60.65 57.85 2cct s ILE 81 Cb -0.13 -2.54 -0.10 0.00 0.01 0.00 0.00 42.46 39.70 2cct s ILE 81 CO -0.10 -0.72 0.97 -2.16 0.00 0.00 0.00 174.94 172.93 2cct s PRO 82 N 0.44 4.10 -0.31 2.79 0.04 -1.26 -1.30 135.00 139.49 2cct s PRO 82 Ca 0.14 1.04 -0.02 0.00 0.04 0.00 0.00 61.00 62.21 2cct s PRO 82 Cb -0.22 -2.16 0.12 0.00 0.04 0.00 0.00 34.50 32.28 2cct s PRO 82 CO -0.06 -0.14 0.21 1.21 0.04 0.00 0.00 177.00 178.26 2cct s ASN 83 N -2.60 2.77 0.60 6.66 3.84 0.17 -4.90 114.94 121.48 2cct s ASN 83 Ca 0.61 -1.43 0.35 0.00 0.21 0.00 0.00 52.86 52.59 2cct s ASN 83 Cb -0.09 -0.09 1.94 0.00 -0.55 0.00 0.00 41.25 42.46 2cct s ASN 83 CO 0.22 -0.38 2.25 0.07 -2.79 0.00 0.00 177.10 176.47 2cct h LYS 84 N 7.90 0.00 0.16 0.43 5.09 -1.90 0.29 116.57 128.55 2cct h LYS 84 Ca -0.10 0.00 -0.25 0.00 0.09 0.00 0.00 60.65 60.39 2cct h LYS 84 Cb 1.02 0.00 0.02 0.00 0.10 0.00 0.00 32.23 33.37 2cct h LYS 84 CO 0.35 0.02 -1.18 1.96 -2.09 0.00 0.00 179.45 178.51 2cct h GLN 85 N 0.00 0.34 0.00 0.07 7.50 -1.94 -3.29 115.11 117.78 2cct h GLN 85 Ca -0.00 -0.58 0.00 0.00 0.50 0.00 0.00 58.65 58.57 2cct h GLN 85 Cb 0.09 0.22 0.00 0.00 0.05 0.00 0.00 27.48 27.84 2cct h GLN 85 CO 0.00 1.28 -0.60 -0.25 -1.50 0.00 0.00 178.83 177.77 2cct n ASP 86 N -3.95 0.71 -2.71 1.46 8.00 -1.08 -4.98 116.55 114.00 2cct n ASP 86 Ca -0.18 0.15 -0.15 0.00 0.71 0.00 0.00 54.79 55.32 2cct n ASP 86 Cb 0.92 0.11 0.06 0.00 -0.02 0.00 0.00 41.12 42.19 2cct n ASP 86 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2cct n ARG 87 N -2.13 -5.19 -4.37 -1.24 0.63 0.98 -4.90 116.66 100.44 2cct n ARG 87 Ca 0.03 0.60 -0.25 0.00 -0.92 0.00 0.00 57.85 57.31 2cct n ARG 87 Cb 0.44 -4.90 -0.12 0.00 0.45 0.00 0.00 32.46 28.34 2cct n ARG 87 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2cct s THR 88 N -3.24 2.07 -0.19 5.15 -4.23 -0.82 -1.97 115.64 112.40 2cct s THR 88 Ca 0.21 -1.86 0.01 0.00 -1.18 0.00 0.00 61.69 58.87 2cct s THR 88 Cb -0.09 -1.92 0.03 0.00 1.34 0.00 0.00 72.50 71.86 2cct s THR 88 CO 0.52 -0.13 -0.18 -0.22 -0.54 0.00 0.00 174.62 174.07 2cct s LEU 89 N -2.42 2.32 -0.17 4.79 2.96 -0.95 0.44 118.68 125.65 2cct s LEU 89 Ca 0.15 -0.77 -0.06 0.00 -0.22 0.00 0.00 54.13 53.23 2cct s LEU 89 Cb -0.08 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 2cct s LEU 89 CO 0.07 -0.04 0.04 -0.89 -1.32 0.00 0.00 176.35 174.21 2cct s THR 90 N 1.27 4.58 -0.29 3.68 2.01 -0.42 0.05 115.64 126.53 2cct s THR 90 Ca 0.03 -0.11 -0.08 0.00 0.31 0.00 0.00 61.69 61.84 2cct s THR 90 Cb -0.14 -3.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.31 2cct s THR 90 CO -0.12 0.47 0.10 -0.63 -0.69 0.00 0.00 174.62 173.76 2cct s ILE 91 N 0.34 4.27 -0.06 1.82 1.09 -0.56 -0.94 121.20 127.17 2cct s ILE 91 Ca 0.01 -0.45 -0.03 0.00 -1.10 0.00 0.00 60.65 59.09 2cct s ILE 91 Cb -0.13 -3.13 -0.04 0.00 -1.06 0.00 0.00 42.46 38.10 2cct s ILE 91 CO 0.01 0.15 0.08 -0.69 -0.10 0.00 0.00 174.94 174.39 2cct s VAL 92 N 1.57 4.87 0.05 2.92 1.01 -0.52 -1.32 120.40 128.99 2cct s VAL 92 Ca 0.04 -0.19 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 2cct s VAL 92 Cb -0.16 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 2cct s VAL 92 CO 0.04 0.49 0.07 1.51 0.00 0.00 0.00 175.10 177.21 2cct s ASP 93 N -1.35 0.26 -0.53 3.32 1.47 0.48 -1.38 116.67 118.95 2cct s ASP 93 Ca 0.19 -0.69 0.02 0.00 1.18 0.00 0.00 52.55 53.24 2cct s ASP 93 Cb -0.12 0.24 0.54 0.00 -0.34 0.00 0.00 42.92 43.24 2cct s ASP 93 CO 0.09 -0.57 1.90 0.35 0.68 0.00 0.00 175.17 177.62 2cct n THR 94 N 0.45 3.32 -0.86 2.11 -2.24 -1.15 -2.04 114.28 113.87 2cct n THR 94 Ca -0.17 -2.59 -0.09 0.00 -2.27 0.00 0.00 64.05 58.93 2cct n THR 94 Cb 0.60 -0.82 0.07 0.00 -2.10 0.00 0.00 70.33 68.09 2cct n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cct n GLY 95 N -1.02 -2.15 0.45 3.38 0.00 -1.26 -4.61 105.19 99.98 2cct n GLY 95 Ca 0.58 -1.53 0.26 0.00 0.00 0.00 0.00 46.02 45.33 2cct n GLY 95 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2cct h ILE 96 N -1.69 0.44 -1.22 -0.61 2.10 -1.44 -3.09 117.51 112.00 2cct h ILE 96 Ca -0.13 0.00 0.14 0.00 1.08 0.00 0.00 64.86 65.95 2cct h ILE 96 Cb 0.39 0.54 -0.05 0.00 -1.09 0.00 0.00 36.82 36.61 2cct h ILE 96 CO 0.09 0.00 -0.28 0.61 -1.08 0.00 0.00 178.15 177.48 2cct n GLY 97 N -1.64 -1.96 3.42 8.18 0.00 -1.26 -4.31 105.19 107.63 2cct n GLY 97 Ca 0.15 -1.37 -0.27 0.00 0.00 0.00 0.00 46.02 44.53 2cct n GLY 97 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2cct s MET 98 N -2.11 1.51 0.69 1.61 1.00 -1.26 -4.79 119.30 115.96 2cct s MET 98 Ca 0.00 -1.52 -0.07 0.00 0.00 0.00 0.00 55.69 54.10 2cct s MET 98 Cb 0.00 -1.84 0.05 0.00 0.00 0.00 0.00 34.83 33.04 2cct s MET 98 CO 0.00 0.40 1.00 0.95 0.00 0.00 0.00 175.02 177.37 2cct s THR 99 N -1.66 2.49 0.17 2.05 -4.23 -1.26 -3.68 115.64 109.52 2cct s THR 99 Ca 0.21 -0.21 -0.15 0.00 -1.18 0.00 0.00 61.69 60.36 2cct s THR 99 Cb -0.08 -3.07 0.05 0.00 1.34 0.00 0.00 72.50 70.74 2cct s THR 99 CO 0.10 -0.08 1.74 0.50 -0.54 0.00 0.00 174.62 176.34 2cct h LYS 100 N -0.55 0.28 -0.90 3.99 3.64 -1.97 0.88 116.57 121.94 2cct h LYS 100 Ca -0.45 -0.02 0.20 0.00 -1.27 0.00 0.00 60.65 59.12 2cct h LYS 100 Cb 1.31 -0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.95 2cct h LYS 100 CO 0.61 0.18 0.43 0.00 -2.27 0.00 0.00 179.45 178.40 2cct h ALA 101 N 1.28 1.44 -0.38 5.00 0.00 -2.00 -0.05 119.26 124.55 2cct h ALA 101 Ca 0.20 0.14 -0.15 0.00 0.00 0.00 0.00 54.91 55.09 2cct h ALA 101 Cb 0.20 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2cct h ALA 101 CO -0.21 -0.27 -0.35 -0.44 0.00 0.00 0.00 179.25 177.98 2cct h ASP 102 N 0.48 0.93 -0.54 0.00 3.32 -1.22 -0.23 116.42 119.17 2cct h ASP 102 Ca 0.55 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 2cct h ASP 102 Cb 0.98 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 2cct h ASP 102 CO -0.48 1.18 0.19 -0.07 -1.72 0.00 0.00 179.24 178.34 2cct h LEU 103 N 0.73 0.77 -0.20 1.55 3.38 -0.06 -1.58 115.31 119.89 2cct h LEU 103 Ca 0.07 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2cct h LEU 103 Cb 0.92 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2cct h LEU 103 CO 0.09 0.75 0.02 0.40 0.09 0.00 0.00 178.44 179.78 2cct h ILE 104 N 0.74 1.24 0.00 1.22 2.04 -0.91 -2.92 117.51 118.91 2cct h ILE 104 Ca 0.18 -0.81 -0.58 0.00 1.00 0.00 0.00 64.86 64.65 2cct h ILE 104 Cb 0.25 1.38 0.02 0.00 -0.74 0.00 0.00 36.82 37.73 2cct h ILE 104 CO -0.01 0.25 2.73 0.59 0.00 0.00 0.00 178.15 181.71 2cct n ASN 105 N -4.72 4.24 -4.22 1.72 4.13 -0.11 -4.60 115.26 111.70 2cct n ASN 105 Ca -0.04 -2.58 -0.36 0.00 1.68 0.00 0.00 54.58 53.27 2cct n ASN 105 Cb 0.21 -1.26 -0.03 0.00 -1.54 0.00 0.00 39.78 37.17 2cct n ASN 105 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2cct n ASN 106 N 5.75 -3.19 -3.38 6.41 3.02 -1.23 -2.19 115.26 120.44 2cct n ASN 106 Ca 0.52 -1.02 -0.24 0.00 -0.03 0.00 0.00 54.58 53.82 2cct n ASN 106 Cb 0.30 -2.75 0.06 0.00 -0.61 0.00 0.00 39.78 36.78 2cct n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2cct n LEU 107 N -4.38 -3.13 0.00 3.41 4.32 -0.64 -2.86 117.00 113.72 2cct n LEU 107 Ca 0.06 -0.45 0.00 0.00 -0.02 0.00 0.00 56.01 55.61 2cct n LEU 107 Cb 0.50 -3.02 0.00 0.00 -1.62 0.00 0.00 43.42 39.28 2cct n LEU 107 CO 0.86 0.49 0.00 0.61 -1.22 0.00 0.00 177.39 178.13 2cct n GLY 108 N -1.83 0.56 3.89 -0.72 0.00 -0.93 -4.94 105.19 101.22 2cct n GLY 108 Ca -0.04 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 2cct n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cct s THR 109 N -2.00 3.86 -1.07 2.61 -4.23 -1.13 -5.02 115.64 108.66 2cct s THR 109 Ca 0.00 -1.26 -0.04 0.00 -1.18 0.00 0.00 61.69 59.20 2cct s THR 109 Cb 0.00 -3.30 0.30 0.00 1.34 0.00 0.00 72.50 70.84 2cct s THR 109 CO 0.00 -0.20 1.39 2.30 -0.54 0.00 0.00 174.62 177.57 2cct n ILE 110 N -1.42 5.08 0.09 2.99 -5.35 -1.26 -4.70 119.36 114.79 2cct n ILE 110 Ca -0.03 -5.81 -0.05 0.00 -0.27 0.00 0.00 62.75 56.59 2cct n ILE 110 Cb 0.59 -2.17 0.12 0.00 -1.74 0.00 0.00 39.64 36.44 2cct n ILE 110 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2cct h ALA 111 N 5.59 0.85 -0.13 -1.28 0.00 -1.89 -1.63 119.26 120.76 2cct h ALA 111 Ca 0.20 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2cct h ALA 111 Cb 0.66 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2cct h ALA 111 CO 1.26 0.74 -0.03 -0.22 0.00 0.00 0.00 179.25 181.00 2cct h LYS 112 N 0.16 0.25 -0.34 0.00 3.64 -1.98 0.19 116.57 118.50 2cct h LYS 112 Ca -0.01 -0.09 -0.16 0.00 -1.27 0.00 0.00 60.65 59.12 2cct h LYS 112 Cb 1.12 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2cct h LYS 112 CO 0.09 0.54 -0.41 0.66 -2.27 0.00 0.00 179.45 178.07 2cct h SER 113 N -0.05 0.89 -0.56 4.20 4.64 -1.98 -2.91 113.55 117.78 2cct h SER 113 Ca 0.03 -0.41 -0.06 0.00 -0.47 0.00 0.00 61.79 60.88 2cct h SER 113 Cb 0.44 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 2cct h SER 113 CO 0.01 1.18 0.12 1.23 -0.87 0.00 0.00 176.83 178.50 2cct h GLY 114 N 0.86 1.01 1.58 -0.77 0.00 -1.29 -0.48 103.07 103.98 2cct h GLY 114 Ca 0.05 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 46.70 2cct h GLY 114 CO 0.09 0.58 -0.04 -0.84 0.00 0.00 0.00 176.54 176.33 2cct h THR 115 N 0.90 1.21 0.42 4.70 2.02 -0.59 -2.09 112.91 119.47 2cct h THR 115 Ca 0.19 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 2cct h THR 115 Cb 0.36 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2cct h THR 115 CO 0.00 0.29 -0.20 0.50 0.37 0.00 0.00 175.52 176.49 2cct h LYS 116 N 0.50 -0.54 -1.01 6.66 3.64 -1.12 0.21 116.57 124.90 2cct h LYS 116 Ca 0.10 0.04 0.27 0.00 -1.27 0.00 0.00 60.65 59.79 2cct h LYS 116 Cb 0.39 0.12 -0.13 0.00 -0.41 0.00 0.00 32.23 32.20 2cct h LYS 116 CO 0.02 -0.36 0.59 0.00 -2.27 0.00 0.00 179.45 177.43 2cct h ALA 117 N -1.66 1.87 0.33 5.00 0.00 -1.19 -1.48 119.26 122.13 2cct h ALA 117 Ca -0.06 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2cct h ALA 117 Cb 0.43 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2cct h ALA 117 CO 0.09 -0.39 -0.16 0.35 0.00 0.00 0.00 179.25 179.14 2cct h PHE 118 N 0.49 -0.42 -0.36 0.00 3.57 -1.27 -0.42 116.94 118.53 2cct h PHE 118 Ca 0.67 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 62.21 2cct h PHE 118 Cb 1.39 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 40.20 2cct h PHE 118 CO -0.01 -0.15 -0.51 0.52 -2.23 0.00 0.00 178.31 175.93 2cct h MET 119 N -0.62 -0.36 -0.20 1.11 2.86 0.30 0.33 114.93 118.34 2cct h MET 119 Ca -0.05 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 2cct h MET 119 Cb 0.45 0.08 -0.07 0.00 0.06 0.00 0.00 31.60 32.12 2cct h MET 119 CO 0.08 -0.24 -0.41 0.93 1.06 0.00 0.00 176.91 178.32 2cct h GLU 120 N -0.38 -0.43 -0.65 1.72 5.08 -1.32 -1.87 114.58 116.73 2cct h GLU 120 Ca 0.06 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.59 2cct h GLU 120 Cb 0.55 0.10 -0.12 0.00 0.50 0.00 0.00 28.75 29.78 2cct h GLU 120 CO -0.54 -0.28 -0.12 0.00 -1.00 0.00 0.00 179.01 177.07 2cct h ALA 121 N 0.23 0.49 -0.98 3.43 0.00 -0.40 0.15 119.26 122.18 2cct h ALA 121 Ca 0.09 0.24 0.13 0.00 0.00 0.00 0.00 54.91 55.37 2cct h ALA 121 Cb 0.61 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 2cct h ALA 121 CO -0.43 -0.42 0.62 -0.07 0.00 0.00 0.00 179.25 178.94 2cct h LEU 122 N 0.03 0.87 -0.43 0.00 3.38 0.39 -0.89 115.31 118.64 2cct h LEU 122 Ca 0.32 0.05 -0.17 0.00 0.09 0.00 0.00 57.88 58.17 2cct h LEU 122 Cb 0.51 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2cct h LEU 122 CO -0.64 0.45 -0.78 1.56 0.09 0.00 0.00 178.44 179.11 2cct h GLN 123 N 0.93 0.03 -0.86 1.13 4.20 -0.07 -3.06 115.11 117.40 2cct h GLN 123 Ca 0.49 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.14 2cct h GLN 123 Cb 0.55 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 2cct h GLN 123 CO -0.26 0.80 0.04 0.00 -0.67 0.00 0.00 178.83 178.74 2cct n ALA 124 N -2.40 3.15 -1.94 3.87 0.00 -0.02 -4.95 120.51 118.22 2cct n ALA 124 Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2cct n ALA 124 Cb 0.75 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.13 2cct n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cct n GLY 125 N 0.18 0.97 3.94 0.00 0.00 -0.84 -5.01 105.19 104.42 2cct n GLY 125 Ca 0.13 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 2cct n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cct s ALA 126 N -2.76 3.41 0.43 4.61 0.00 -0.42 -4.98 121.76 122.04 2cct s ALA 126 Ca 0.00 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.07 2cct s ALA 126 Cb 0.00 -2.45 -0.06 0.00 0.00 0.00 0.00 23.12 20.60 2cct s ALA 126 CO 0.00 -0.95 0.02 0.16 0.00 0.00 0.00 175.76 174.99 2cct s ASP 127 N -4.41 3.97 0.64 0.00 -4.77 -1.26 -4.67 116.67 106.17 2cct s ASP 127 Ca 0.57 -1.42 0.38 0.00 -3.30 0.00 0.00 52.55 48.78 2cct s ASP 127 Cb -0.11 -0.20 2.12 0.00 -1.09 0.00 0.00 42.92 43.65 2cct s ASP 127 CO 0.43 -0.55 2.27 0.40 0.70 0.00 0.00 175.17 178.43 2cct h ILE 128 N 1.66 0.19 0.00 2.11 2.04 -2.00 -2.12 117.51 119.38 2cct h ILE 128 Ca -0.44 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.42 2cct h ILE 128 Cb 1.26 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2cct h ILE 128 CO 0.79 0.00 0.00 0.77 0.00 0.00 0.00 178.15 179.71 2cct h SER 129 N 0.00 0.00 -0.26 1.72 4.64 -1.96 -1.66 113.55 116.03 2cct h SER 129 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2cct h SER 129 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2cct h SER 129 CO -0.00 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.19 2cct n MET 130 N -2.40 1.86 -0.25 4.77 2.81 -0.80 -4.46 117.12 118.66 2cct n MET 130 Ca 0.01 -1.32 0.23 0.00 -1.81 0.00 0.00 57.70 54.81 2cct n MET 130 Cb 0.21 -1.38 0.57 0.00 -0.71 0.00 0.00 33.22 31.91 2cct n MET 130 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 2cct h ILE 131 N 2.46 0.60 0.00 2.02 2.10 -1.49 -1.84 117.51 121.36 2cct h ILE 131 Ca 0.00 -0.10 -0.03 0.00 1.08 0.00 0.00 64.86 65.81 2cct h ILE 131 Cb 0.55 0.27 -0.00 0.00 -1.09 0.00 0.00 36.82 36.55 2cct h ILE 131 CO 0.00 0.05 -0.13 1.23 -1.08 0.00 0.00 178.15 178.23 2cct h GLY 132 N 0.30 0.00 1.78 8.18 0.00 -1.85 -2.43 103.07 109.05 2cct h GLY 132 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 2cct h GLY 132 CO -0.16 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.32 2cct n GLN 133 N -3.18 0.09 -0.02 4.80 6.02 -0.69 -2.24 117.38 122.16 2cct n GLN 133 Ca 0.02 0.23 0.01 0.00 -0.01 0.00 0.00 57.00 57.25 2cct n GLN 133 Cb 0.48 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.26 2cct n GLN 133 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2cct n PHE 134 N -1.39 0.06 -0.87 1.08 3.72 -0.92 -5.00 117.46 114.14 2cct n PHE 134 Ca 0.04 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 2cct n PHE 134 Cb 0.12 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 2cct n PHE 134 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2cct n GLY 135 N -0.04 0.61 0.51 1.37 0.00 -0.95 -4.48 105.19 102.21 2cct n GLY 135 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 2cct n GLY 135 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2cct n VAL 136 N -2.77 2.05 -0.36 1.61 0.24 -1.24 -4.66 118.33 113.21 2cct n VAL 136 Ca 0.00 -2.94 0.26 0.00 -2.04 0.00 0.00 64.34 59.62 2cct n VAL 136 Cb 0.00 -0.20 0.52 0.00 -1.47 0.00 0.00 33.84 32.70 2cct n VAL 136 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2cct h GLY 137 N 0.78 1.49 -0.96 7.63 0.00 -1.85 -2.47 103.07 107.69 2cct h GLY 137 Ca -0.01 -0.20 0.14 0.00 0.00 0.00 0.00 47.33 47.26 2cct h GLY 137 CO 0.00 -0.29 -0.41 0.33 0.00 0.00 0.00 176.54 176.17 2cct n PHE 138 N -4.76 -0.06 0.13 5.60 7.35 -1.26 -1.25 117.46 123.20 2cct n PHE 138 Ca 0.30 1.18 0.19 0.00 -0.76 0.00 0.00 57.45 58.36 2cct n PHE 138 Cb 1.03 -0.80 0.77 0.00 0.35 0.00 0.00 39.48 40.83 2cct n PHE 138 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 2cct h TYR 139 N 0.00 0.00 0.00 -5.13 0.05 -1.85 0.16 116.97 110.20 2cct h TYR 139 Ca 0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.08 2cct h TYR 139 Cb 0.54 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.28 2cct h TYR 139 CO -0.87 0.00 0.01 0.66 -1.05 0.00 0.00 178.16 176.91 2cct h SER 140 N 0.00 0.00 -1.02 3.88 4.64 -1.35 0.16 113.55 119.85 2cct h SER 140 Ca 0.15 0.00 0.30 0.00 -0.47 0.00 0.00 61.79 61.77 2cct h SER 140 Cb 0.86 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.91 2cct h SER 140 CO -0.00 0.00 0.76 0.00 -0.87 0.00 0.00 176.83 176.72 2cct h ALA 141 N 1.97 2.95 0.00 5.18 0.00 -0.84 0.32 119.26 128.84 2cct h ALA 141 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2cct h ALA 141 Cb 0.02 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2cct h ALA 141 CO 0.00 -1.29 0.00 0.66 0.00 0.00 0.00 179.25 178.62 2cct n TYR 142 N -4.14 0.00 -0.06 0.00 4.01 0.04 -1.39 117.16 115.63 2cct n TYR 142 Ca 0.22 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 58.00 2cct n TYR 142 Cb 1.11 -0.18 0.40 0.00 -0.31 0.00 0.00 39.34 40.36 2cct n TYR 142 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2cct h LEU 143 N 0.00 0.53 0.00 7.72 3.38 -0.55 -3.38 115.31 123.02 2cct h LEU 143 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2cct h LEU 143 Cb 0.16 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2cct h LEU 143 CO 0.00 0.37 -0.23 1.33 0.09 0.00 0.00 178.44 180.00 2cct n VAL 144 N -4.47 0.00 -4.49 1.22 0.24 -1.10 -5.02 118.33 104.72 2cct n VAL 144 Ca 0.05 -0.26 -0.34 0.00 -2.04 0.00 0.00 64.34 61.76 2cct n VAL 144 Cb 0.11 0.81 -0.11 0.00 -1.47 0.00 0.00 33.84 33.17 2cct n VAL 144 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2cct s ALA 145 N -0.98 3.04 -0.08 2.33 0.00 -0.48 -0.23 121.76 125.36 2cct s ALA 145 Ca 0.00 -0.84 0.13 0.00 0.00 0.00 0.00 51.96 51.25 2cct s ALA 145 Cb 0.00 -1.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 2cct s ALA 145 CO 0.00 0.42 1.24 1.05 0.00 0.00 0.00 175.76 178.48 2cct h GLU 146 N 5.85 0.00 -3.15 0.00 4.11 -1.02 -3.42 114.58 116.96 2cct h GLU 146 Ca -0.41 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.85 2cct h GLU 146 Cb 1.18 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.18 2cct h GLU 146 CO 0.57 0.57 -0.44 0.21 0.07 0.00 0.00 179.01 179.99 2cct s LYS 147 N -2.88 0.27 -0.09 1.06 2.20 -1.21 -4.36 119.74 114.74 2cct s LYS 147 Ca 0.02 0.34 0.02 0.00 -0.36 0.00 0.00 55.97 55.99 2cct s LYS 147 Cb 0.08 0.12 0.01 0.00 -1.51 0.00 0.00 37.83 36.54 2cct s LYS 147 CO 0.78 -0.04 -0.14 0.08 -0.36 0.00 0.00 175.35 175.67 2cct s VAL 148 N 0.19 1.31 -0.16 4.02 1.01 -0.52 -0.96 120.40 125.28 2cct s VAL 148 Ca -0.01 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 2cct s VAL 148 Cb -0.02 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 2cct s VAL 148 CO -0.00 0.40 -0.09 -0.89 0.00 0.00 0.00 175.10 174.52 2cct s THR 149 N 0.83 3.29 -0.24 3.92 2.01 -1.09 -1.24 115.64 123.11 2cct s THR 149 Ca -0.11 -0.56 -0.05 0.00 0.31 0.00 0.00 61.69 61.28 2cct s THR 149 Cb -0.15 -2.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 2cct s THR 149 CO 0.02 0.49 0.00 -0.69 -0.69 0.00 0.00 174.62 173.75 2cct s VAL 150 N 0.66 3.66 -0.08 3.82 1.01 0.32 -1.25 120.40 128.54 2cct s VAL 150 Ca -0.05 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 2cct s VAL 150 Cb -0.15 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 2cct s VAL 150 CO 0.02 0.33 0.30 -0.63 0.00 0.00 0.00 175.10 175.13 2cct s ILE 151 N 1.51 5.24 -0.09 2.22 -1.09 0.87 0.67 121.20 130.52 2cct s ILE 151 Ca 0.05 0.59 -0.07 0.00 -2.23 0.00 0.00 60.65 58.99 2cct s ILE 151 Cb -0.15 -3.60 0.03 0.00 -1.58 0.00 0.00 42.46 37.15 2cct s ILE 151 CO -0.01 0.54 0.24 0.28 -1.23 0.00 0.00 174.94 174.76 2cct s THR 152 N -0.64 -0.01 -0.16 2.92 -1.32 -0.73 -0.17 115.64 115.53 2cct s THR 152 Ca 0.19 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 2cct s THR 152 Cb -0.14 -0.35 0.03 0.00 -1.51 0.00 0.00 72.50 70.53 2cct s THR 152 CO 0.08 0.02 -0.12 -0.75 -2.21 0.00 0.00 174.62 171.63 2cct s LYS 153 N 0.46 2.16 0.12 7.08 2.47 -0.58 -1.75 119.74 129.69 2cct s LYS 153 Ca -0.03 -0.62 0.03 0.00 -1.56 0.00 0.00 55.97 53.79 2cct s LYS 153 Cb -0.04 -2.17 -0.04 0.00 -1.46 0.00 0.00 37.83 34.12 2cct s LYS 153 CO -0.02 -0.30 0.17 -1.58 0.16 0.00 0.00 175.35 173.78 2cct s HIS 154 N 1.48 3.31 0.50 4.03 5.65 -1.24 -2.05 115.29 126.97 2cct s HIS 154 Ca 0.03 0.09 0.16 0.00 0.25 0.00 0.00 55.06 55.60 2cct s HIS 154 Cb -0.14 -1.63 1.22 0.00 -1.18 0.00 0.00 32.58 30.85 2cct s HIS 154 CO -0.10 0.53 2.10 -0.91 -0.65 0.00 0.00 174.74 175.72 2cct h ASN 155 N 2.74 0.09 -0.42 9.88 2.35 -1.91 -3.02 115.58 125.28 2cct h ASN 155 Ca -0.47 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 2cct h ASN 155 Cb 1.18 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.53 2cct h ASN 155 CO 0.68 0.06 0.00 0.47 -1.65 0.00 0.00 177.43 176.99 2cct n ASP 156 N -4.50 2.38 -2.80 5.81 8.00 -1.26 -4.96 116.55 119.22 2cct n ASP 156 Ca 0.01 -1.97 -0.12 0.00 0.71 0.00 0.00 54.79 53.42 2cct n ASP 156 Cb 0.18 -0.28 -0.01 0.00 -0.02 0.00 0.00 41.12 40.99 2cct n ASP 156 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2cct n ASP 157 N 0.80 -1.54 -4.67 -2.24 -0.08 -1.14 -5.09 116.55 102.58 2cct n ASP 157 Ca 0.15 -2.68 -0.24 0.00 -1.51 0.00 0.00 54.79 50.52 2cct n ASP 157 Cb 0.38 2.74 0.11 0.00 2.34 0.00 0.00 41.12 46.70 2cct n ASP 157 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2cct s GLU 158 N -2.54 1.64 -0.00 -0.67 8.01 -1.26 -4.49 118.70 119.38 2cct s GLU 158 Ca 0.23 -1.18 -0.26 0.00 0.01 0.00 0.00 54.97 53.77 2cct s GLU 158 Cb -0.02 -2.34 -0.04 0.00 -4.31 0.00 0.00 34.13 27.42 2cct s GLU 158 CO 0.17 -1.48 0.82 -1.14 0.01 0.00 0.00 175.26 173.64 2cct s GLN 159 N -5.14 4.51 0.10 1.61 0.74 -1.26 -4.45 119.66 115.76 2cct s GLN 159 Ca 0.67 1.13 0.06 0.00 0.05 0.00 0.00 55.36 57.27 2cct s GLN 159 Cb -0.05 -3.42 -0.03 0.00 1.10 0.00 0.00 33.01 30.61 2cct s GLN 159 CO 0.44 0.11 -0.16 0.71 -0.55 0.00 0.00 175.29 175.84 2cct s TYR 160 N 0.55 1.44 -0.14 1.67 2.02 -0.72 -1.28 117.35 120.89 2cct s TYR 160 Ca 0.43 -0.47 -0.03 0.00 -0.37 0.00 0.00 57.07 56.63 2cct s TYR 160 Cb -0.20 -0.79 -0.03 0.00 -0.40 0.00 0.00 41.96 40.55 2cct s TYR 160 CO 0.23 0.13 -0.04 0.00 -1.57 0.00 0.00 175.55 174.30 2cct s ALA 161 N -1.47 2.99 -0.11 3.71 0.00 0.59 -1.77 121.76 125.70 2cct s ALA 161 Ca 0.04 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.14 2cct s ALA 161 Cb -0.09 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 2cct s ALA 161 CO 0.03 0.26 0.01 -0.46 0.00 0.00 0.00 175.76 175.60 2cct s TRP 162 N 0.21 3.17 -0.01 0.00 -0.00 0.21 -1.70 118.94 120.83 2cct s TRP 162 Ca -0.03 0.11 -0.02 0.00 -0.00 0.00 0.00 56.10 56.16 2cct s TRP 162 Cb -0.14 -1.86 -0.00 0.00 -0.00 0.00 0.00 33.47 31.47 2cct s TRP 162 CO 0.03 0.35 0.05 -2.00 -0.00 0.00 0.00 176.95 175.38 2cct s GLU 163 N -0.50 0.18 -0.13 5.86 2.12 0.10 0.12 118.70 126.44 2cct s GLU 163 Ca 0.09 -0.14 -0.29 0.00 0.36 0.00 0.00 54.97 54.98 2cct s GLU 163 Cb -0.12 0.07 0.08 0.00 0.26 0.00 0.00 34.13 34.42 2cct s GLU 163 CO 0.02 -0.03 0.75 0.45 -0.54 0.00 0.00 175.26 175.91 2cct s SER 164 N -0.50 -0.63 -0.29 -1.70 0.15 -0.38 -0.41 113.70 109.95 2cct s SER 164 Ca -0.06 0.87 0.11 0.00 0.70 0.00 0.00 55.95 57.57 2cct s SER 164 Cb -0.04 0.76 0.63 0.00 -1.71 0.00 0.00 66.02 65.66 2cct s SER 164 CO 0.00 -0.46 1.64 -1.20 1.20 0.00 0.00 173.24 174.42 2cct n SER 165 N 1.41 3.93 0.00 5.45 7.64 -1.26 -1.44 113.62 129.34 2cct n SER 165 Ca -0.16 -3.34 0.00 0.00 1.01 0.00 0.00 58.87 56.38 2cct n SER 165 Cb 0.57 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 2cct n SER 165 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cct n ALA 166 N -0.57 0.00 -1.01 -0.43 0.00 -1.26 -4.90 120.51 112.34 2cct n ALA 166 Ca 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.79 2cct n ALA 166 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.65 2cct n ALA 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cct n GLY 167 N 0.00 0.33 0.29 0.00 0.00 -1.26 -3.73 105.19 100.82 2cct n GLY 167 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2cct n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cct n GLY 168 N -1.36 0.74 3.22 -0.02 0.00 -1.26 -5.03 105.19 101.47 2cct n GLY 168 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2cct n GLY 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cct s SER 169 N -2.54 -0.01 0.08 1.61 1.04 -1.24 -1.71 113.70 110.92 2cct s SER 169 Ca 0.00 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.07 2cct s SER 169 Cb 0.00 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 2cct s SER 169 CO 0.00 -0.63 -0.06 0.72 0.98 0.00 0.00 173.24 174.25 2cct s PHE 170 N -2.93 0.76 0.17 5.02 -0.12 -0.11 -4.40 117.98 116.38 2cct s PHE 170 Ca -0.02 -0.91 0.10 0.00 -0.05 0.00 0.00 56.93 56.04 2cct s PHE 170 Cb 0.01 -0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 41.89 2cct s PHE 170 CO -0.06 -0.20 -0.21 0.95 -0.05 0.00 0.00 175.22 175.65 2cct s THR 171 N -3.47 2.03 -0.01 -4.49 -4.23 0.45 -1.06 115.64 104.86 2cct s THR 171 Ca 0.08 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 58.69 2cct s THR 171 Cb 0.04 -1.93 -0.00 0.00 1.34 0.00 0.00 72.50 71.95 2cct s THR 171 CO -0.06 -0.21 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.04 2cct s VAL 172 N -1.80 0.74 0.06 2.29 1.01 -1.01 0.03 120.40 121.72 2cct s VAL 172 Ca 0.17 -0.38 -0.15 0.00 0.00 0.00 0.00 61.98 61.62 2cct s VAL 172 Cb -0.07 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.70 2cct s VAL 172 CO 0.08 0.22 0.35 0.00 0.00 0.00 0.00 175.10 175.75 2cct s ARG 173 N -0.07 0.90 0.33 2.72 1.70 -0.69 -1.91 118.95 121.93 2cct s ARG 173 Ca 0.01 -0.53 -0.27 0.00 -0.47 0.00 0.00 55.73 54.47 2cct s ARG 173 Cb -0.05 0.39 -0.09 0.00 -0.57 0.00 0.00 34.95 34.63 2cct s ARG 173 CO -0.00 -0.31 1.09 0.95 -1.08 0.00 0.00 175.30 175.95 2cct s THR 174 N -2.87 3.52 -0.45 4.99 -4.23 -1.26 -0.30 115.64 115.04 2cct s THR 174 Ca -0.03 1.39 -0.09 0.00 -1.18 0.00 0.00 61.69 61.78 2cct s THR 174 Cb 0.00 -3.84 0.10 0.00 1.34 0.00 0.00 72.50 70.11 2cct s THR 174 CO -0.05 0.23 0.31 -0.62 -0.54 0.00 0.00 174.62 173.95 2cct s ASP 175 N -1.10 5.68 -0.15 3.99 2.15 -0.40 -4.69 116.67 122.15 2cct s ASP 175 Ca 0.49 -1.73 0.08 0.00 0.43 0.00 0.00 52.55 51.82 2cct s ASP 175 Cb -0.29 -2.00 0.49 0.00 -0.30 0.00 0.00 42.92 40.81 2cct s ASP 175 CO 0.37 -0.63 1.26 0.35 -0.17 0.00 0.00 175.17 176.36 2cct n THR 176 N 4.92 1.69 0.00 1.71 -2.24 -1.26 -4.68 114.28 114.42 2cct n THR 176 Ca -0.09 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 2cct n THR 176 Cb 0.42 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 2cct n THR 176 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cct n GLY 177 N 0.33 -1.76 3.64 3.38 0.00 -1.26 -4.89 105.19 104.63 2cct n GLY 177 Ca 0.18 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 2cct n GLY 177 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2cct s GLU 178 N 0.00 3.84 0.72 1.61 2.56 -1.26 -4.97 118.70 121.20 2cct s GLU 178 Ca 0.00 1.86 -0.16 0.00 0.00 0.00 0.00 54.97 56.67 2cct s GLU 178 Cb 0.00 -4.06 0.03 0.00 2.00 0.00 0.00 34.13 32.10 2cct s GLU 178 CO 0.00 -1.25 1.25 -1.25 -0.56 0.00 0.00 175.26 173.45 2cct s PRO 179 N 4.66 2.15 0.00 4.30 0.04 -1.26 -4.93 135.00 139.96 2cct s PRO 179 Ca 0.75 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2cct s PRO 179 Cb -0.28 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2cct s PRO 179 CO 0.30 -1.86 0.00 -0.12 0.04 0.00 0.00 177.00 175.36 2cct n MET 180 N -2.53 1.84 0.00 4.56 0.00 -1.26 -5.06 117.12 114.67 2cct n MET 180 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.85 2cct n MET 180 Cb 0.49 -0.85 0.00 0.00 0.00 0.00 0.00 33.22 32.86 2cct n MET 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2cct n GLY 181 N 1.81 1.90 3.62 -5.12 0.00 -1.26 -4.74 105.19 101.40 2cct n GLY 181 Ca 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 2cct n GLY 181 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cct s ARG 182 N 0.00 0.50 0.00 1.61 3.52 -1.25 -4.83 118.95 118.51 2cct s ARG 182 Ca 0.00 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 56.01 2cct s ARG 182 Cb 0.00 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.63 2cct s ARG 182 CO 0.00 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 174.80 2cct n GLY 183 N 1.67 0.44 2.97 8.12 0.00 -0.87 -4.55 105.19 112.98 2cct n GLY 183 Ca -0.11 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.02 2cct n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cct s THR 184 N -2.09 0.02 -0.07 2.61 2.01 -0.87 -1.53 115.64 115.72 2cct s THR 184 Ca 0.00 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.79 2cct s THR 184 Cb 0.00 -0.16 0.02 0.00 0.01 0.00 0.00 72.50 72.37 2cct s THR 184 CO 0.00 -0.11 -0.05 -0.75 -0.69 0.00 0.00 174.62 173.02 2cct s LYS 185 N -0.33 1.07 -0.32 4.92 2.20 0.76 -0.39 119.74 127.64 2cct s LYS 185 Ca -0.04 -0.13 0.01 0.00 -0.36 0.00 0.00 55.97 55.46 2cct s LYS 185 Cb -0.03 -1.15 0.08 0.00 -1.51 0.00 0.00 37.83 35.22 2cct s LYS 185 CO 0.00 -0.18 0.03 0.08 -0.36 0.00 0.00 175.35 174.92 2cct s VAL 186 N 1.39 2.62 -0.24 4.02 1.01 -0.44 -0.09 120.40 128.67 2cct s VAL 186 Ca -0.03 -1.90 -0.20 0.00 0.00 0.00 0.00 61.98 59.86 2cct s VAL 186 Cb -0.13 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 2cct s VAL 186 CO -0.03 -0.37 0.60 -0.63 0.00 0.00 0.00 175.10 174.67 2cct s ILE 187 N 1.08 5.02 -0.26 2.22 1.01 -0.38 -1.49 121.20 128.39 2cct s ILE 187 Ca 0.02 1.09 -0.14 0.00 0.00 0.00 0.00 60.65 61.62 2cct s ILE 187 Cb -0.20 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 2cct s ILE 187 CO -0.05 0.07 0.32 -0.76 0.00 0.00 0.00 174.94 174.52 2cct s LEU 188 N 2.25 4.06 -0.52 2.97 1.43 0.11 -2.67 118.68 126.31 2cct s LEU 188 Ca 0.26 0.26 -0.21 0.00 -1.03 0.00 0.00 54.13 53.41 2cct s LEU 188 Cb -0.16 -2.35 0.05 0.00 0.03 0.00 0.00 46.19 43.76 2cct s LEU 188 CO 0.09 -0.11 0.72 -1.00 0.23 0.00 0.00 176.35 176.28 2cct s HIS 189 N 1.77 2.97 0.37 0.29 3.76 -0.14 -2.23 115.29 122.09 2cct s HIS 189 Ca 0.14 -0.39 -0.22 0.00 -0.15 0.00 0.00 55.06 54.44 2cct s HIS 189 Cb -0.15 -3.71 -0.10 0.00 1.11 0.00 0.00 32.58 29.73 2cct s HIS 189 CO 0.09 -1.14 0.91 -0.51 -0.85 0.00 0.00 174.74 173.25 2cct s LEU 190 N 3.04 4.09 0.42 0.89 1.43 -0.83 -0.45 118.68 127.26 2cct s LEU 190 Ca 0.20 1.67 -0.26 0.00 -1.03 0.00 0.00 54.13 54.70 2cct s LEU 190 Cb -0.17 -4.28 -0.09 0.00 0.03 0.00 0.00 46.19 41.68 2cct s LEU 190 CO 0.14 -0.24 1.37 -0.54 0.23 0.00 0.00 176.35 177.31 2cct s LYS 191 N -2.76 3.90 0.28 1.70 1.02 0.68 -4.61 119.74 119.94 2cct s LYS 191 Ca 0.57 2.30 0.10 0.00 0.02 0.00 0.00 55.97 58.95 2cct s LYS 191 Cb -0.12 -2.76 0.88 0.00 -0.52 0.00 0.00 37.83 35.31 2cct s LYS 191 CO 0.17 -0.60 1.30 -1.91 -0.92 0.00 0.00 175.35 173.39 2cct n GLU 192 N 0.08 -0.06 -0.16 1.68 2.13 -1.26 -0.64 120.64 122.41 2cct n GLU 192 Ca 0.04 1.18 0.10 0.00 0.66 0.00 0.00 57.16 59.14 2cct n GLU 192 Cb 0.42 -2.01 0.28 0.00 0.27 0.00 0.00 31.44 30.41 2cct n GLU 192 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2cct n ASP 193 N -5.01 2.50 -1.63 4.31 5.75 -1.26 -4.22 116.55 116.97 2cct n ASP 193 Ca 0.26 -1.88 -0.16 0.00 -0.01 0.00 0.00 54.79 53.00 2cct n ASP 193 Cb 0.86 -0.21 0.13 0.00 -1.03 0.00 0.00 41.12 40.86 2cct n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cct n GLN 194 N 0.86 2.51 0.00 0.11 1.13 0.19 -4.71 117.38 117.46 2cct n GLN 194 Ca 0.17 -3.50 0.13 0.00 -1.94 0.00 0.00 57.00 51.86 2cct n GLN 194 Cb 0.44 -2.04 0.61 0.00 0.11 0.00 0.00 30.24 29.36 2cct n GLN 194 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2cct n THR 195 N -0.97 0.17 0.24 5.09 -2.24 -1.26 -2.35 114.28 112.96 2cct n THR 195 Ca 0.42 0.04 0.18 0.00 -2.27 0.00 0.00 64.05 62.42 2cct n THR 195 Cb 0.96 -0.60 0.87 0.00 -2.10 0.00 0.00 70.33 69.46 2cct n THR 195 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2cct h GLU 196 N 0.00 0.00 0.00 -0.78 4.11 -1.94 -1.65 114.58 114.32 2cct h GLU 196 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2cct h GLU 196 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2cct h GLU 196 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.74 2cct n TYR 197 N -3.47 0.00 0.77 2.06 4.01 -0.99 -1.73 117.16 117.80 2cct n TYR 197 Ca 0.01 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.84 2cct n TYR 197 Cb 0.35 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.43 2cct n TYR 197 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2cct n LEU 198 N -0.91 2.27 -4.77 7.72 4.77 -0.62 -4.82 117.00 120.65 2cct n LEU 198 Ca 0.17 -0.93 -0.37 0.00 -0.03 0.00 0.00 56.01 54.85 2cct n LEU 198 Cb 0.08 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 2cct n LEU 198 CO 0.13 0.41 0.05 -1.61 -1.33 0.00 0.00 177.39 175.03 2cct s GLU 199 N -1.68 4.11 0.16 3.23 0.41 -0.71 -4.85 118.70 119.37 2cct s GLU 199 Ca 0.19 0.25 -0.24 0.00 -0.41 0.00 0.00 54.97 54.76 2cct s GLU 199 Cb 0.15 -3.35 0.04 0.00 -1.78 0.00 0.00 34.13 29.19 2cct s GLU 199 CO 0.29 0.39 1.59 1.49 -0.49 0.00 0.00 175.26 178.54 2cct h GLU 200 N 5.98 -0.27 -0.45 1.61 4.81 -1.93 -2.13 114.58 122.20 2cct h GLU 200 Ca -0.45 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 58.89 2cct h GLU 200 Cb 1.19 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 30.54 2cct h GLU 200 CO 0.70 -0.18 -0.12 0.00 -0.73 0.00 0.00 179.01 178.68 2cct h ARG 201 N -0.28 -0.01 -0.06 1.92 3.08 -1.94 -2.08 114.38 115.00 2cct h ARG 201 Ca 0.16 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.10 2cct h ARG 201 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2cct h ARG 201 CO -0.53 -0.01 -0.45 -0.09 -1.07 0.00 0.00 179.97 177.82 2cct h ARG 202 N -0.01 0.13 0.13 0.04 9.65 -1.75 -2.86 114.38 119.71 2cct h ARG 202 Ca 0.22 -0.07 -0.30 0.00 -1.10 0.00 0.00 59.98 58.73 2cct h ARG 202 Cb 0.34 0.00 0.03 0.00 -1.39 0.00 0.00 29.97 28.95 2cct h ARG 202 CO -0.47 0.56 -1.26 0.82 2.80 0.00 0.00 179.97 182.42 2cct h ILE 203 N 0.11 1.29 -0.50 1.20 2.04 -0.85 -3.02 117.51 117.78 2cct h ILE 203 Ca 0.01 -2.50 -0.03 0.00 1.00 0.00 0.00 64.86 63.34 2cct h ILE 203 Cb 0.84 2.71 -0.02 0.00 -0.74 0.00 0.00 36.82 39.61 2cct h ILE 203 CO 0.06 0.76 0.19 0.11 0.00 0.00 0.00 178.15 179.27 2cct h LYS 204 N 0.26 0.75 -0.36 2.37 1.57 -1.34 -1.19 116.57 118.63 2cct h LYS 204 Ca -0.19 -0.14 0.08 0.00 -1.87 0.00 0.00 60.65 58.52 2cct h LYS 204 Cb 1.93 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 34.04 2cct h LYS 204 CO 0.24 0.68 -0.13 1.49 -0.57 0.00 0.00 179.45 181.16 2cct h GLU 205 N 0.67 -0.05 -0.32 3.15 4.81 -1.60 0.60 114.58 121.84 2cct h GLU 205 Ca 0.17 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 2cct h GLU 205 Cb 0.21 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2cct h GLU 205 CO -0.01 -0.03 -0.19 0.82 -0.73 0.00 0.00 179.01 178.86 2cct h ILE 206 N -0.05 1.26 -0.13 2.32 2.04 -1.34 -1.14 117.51 120.47 2cct h ILE 206 Ca 0.18 -1.21 -0.09 0.00 1.00 0.00 0.00 64.86 64.74 2cct h ILE 206 Cb 0.32 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2cct h ILE 206 CO -0.40 0.40 -0.28 0.58 0.00 0.00 0.00 178.15 178.44 2cct h VAL 207 N 0.52 1.37 -0.55 1.67 2.07 -0.80 -1.72 116.25 118.81 2cct h VAL 207 Ca 0.08 -1.56 0.08 0.00 0.82 0.00 0.00 66.70 66.12 2cct h VAL 207 Cb 0.63 2.05 -0.06 0.00 -1.52 0.00 0.00 31.29 32.39 2cct h VAL 207 CO 0.04 0.46 0.21 0.50 0.02 0.00 0.00 177.57 178.81 2cct h LYS 208 N 0.01 0.39 -0.10 1.57 3.64 0.25 -1.41 116.57 120.92 2cct h LYS 208 Ca 0.00 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2cct h LYS 208 Cb 0.88 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2cct h LYS 208 CO 0.06 0.26 -0.11 0.87 -2.27 0.00 0.00 179.45 178.26 2cct h LYS 209 N 0.40 0.25 -0.01 1.90 1.57 -1.12 -3.37 116.57 116.19 2cct h LYS 209 Ca 0.27 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2cct h LYS 209 Cb 0.30 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2cct h LYS 209 CO -0.26 0.67 -0.28 0.72 -0.57 0.00 0.00 179.45 179.73 2cct n HIS 210 N -4.64 0.00 -2.76 -1.35 8.25 -0.65 -4.79 115.22 109.27 2cct n HIS 210 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2cct n HIS 210 Cb 0.33 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.50 2cct n HIS 210 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2cct n SER 211 N -0.42 1.12 0.12 0.41 7.64 -0.54 -4.90 113.62 117.04 2cct n SER 211 Ca 0.04 -2.04 0.12 0.00 1.01 0.00 0.00 58.87 58.00 2cct n SER 211 Cb 0.22 -0.32 0.13 0.00 -1.01 0.00 0.00 64.21 63.23 2cct n SER 211 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 2cct h GLN 212 N 2.19 0.00 -2.29 1.43 -0.00 -1.68 -3.35 115.11 111.41 2cct h GLN 212 Ca -0.19 0.00 -0.62 0.00 -0.00 0.00 0.00 58.65 57.83 2cct h GLN 212 Cb 1.35 0.00 -0.40 0.00 -0.00 0.00 0.00 27.48 28.44 2cct h GLN 212 CO 0.12 0.00 -0.39 1.19 -0.00 0.00 0.00 178.83 179.75 2cct n PHE 213 N -2.57 3.82 -4.35 0.06 3.72 -1.26 -5.03 117.46 111.86 2cct n PHE 213 Ca 0.02 -3.81 -0.34 0.00 -0.05 0.00 0.00 57.45 53.27 2cct n PHE 213 Cb 0.50 -0.60 -0.11 0.00 -0.94 0.00 0.00 39.48 38.33 2cct n PHE 213 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2cct s ILE 214 N -4.20 4.17 -0.42 4.37 -1.09 -1.26 -5.02 121.20 117.76 2cct s ILE 214 Ca 0.46 -0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.61 2cct s ILE 214 Cb 0.25 -2.80 0.00 0.00 -1.58 0.00 0.00 42.46 38.33 2cct s ILE 214 CO -0.12 0.54 0.65 0.61 -1.23 0.00 0.00 174.94 175.39 2cct n GLY 215 N 2.89 1.47 3.21 6.18 0.00 -1.26 -4.74 105.19 112.93 2cct n GLY 215 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 2cct n GLY 215 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cct s TYR 216 N -0.31 -0.28 0.28 1.61 2.02 -1.26 -5.11 117.35 114.29 2cct s TYR 216 Ca 0.00 0.65 -0.30 0.00 -0.37 0.00 0.00 57.07 57.05 2cct s TYR 216 Cb 0.00 0.10 -0.13 0.00 -0.40 0.00 0.00 41.96 41.53 2cct s TYR 216 CO 0.00 -0.23 1.35 -2.30 -1.57 0.00 0.00 175.55 172.80 2cct n PRO 217 N 2.42 2.02 -4.01 -1.71 -0.02 -1.26 -4.85 135.00 127.60 2cct n PRO 217 Ca -0.16 0.72 -0.34 0.00 -2.02 0.00 0.00 63.50 61.70 2cct n PRO 217 Cb 0.57 -2.33 -0.15 0.00 -0.02 0.00 0.00 33.50 31.57 2cct n PRO 217 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2cct s ILE 218 N -0.45 2.67 -0.21 4.25 1.01 -1.26 -2.15 121.20 125.06 2cct s ILE 218 Ca 0.63 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 60.30 2cct s ILE 218 Cb -0.63 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 2cct s ILE 218 CO 0.54 0.37 0.12 -0.89 0.00 0.00 0.00 174.94 175.08 2cct s THR 219 N 1.34 5.24 -0.37 2.92 2.01 -0.67 -5.00 115.64 121.11 2cct s THR 219 Ca 0.03 0.13 -0.16 0.00 0.31 0.00 0.00 61.69 62.00 2cct s THR 219 Cb -0.15 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 68.96 2cct s THR 219 CO -0.07 0.41 0.41 -0.22 -0.69 0.00 0.00 174.62 174.46 2cct s LEU 220 N 0.60 4.56 0.76 4.42 2.96 -1.26 0.51 118.68 131.24 2cct s LEU 220 Ca 0.07 -0.34 -0.11 0.00 -0.22 0.00 0.00 54.13 53.53 2cct s LEU 220 Cb -0.12 -2.39 0.05 0.00 0.50 0.00 0.00 46.19 44.22 2cct s LEU 220 CO 0.01 -0.44 1.08 -0.36 -1.32 0.00 0.00 176.35 175.32 2cct s PHE 221 N 2.12 2.81 0.25 5.38 0.40 0.11 -4.96 117.98 124.09 2cct s PHE 221 Ca 0.13 1.39 0.10 0.00 -0.60 0.00 0.00 56.93 57.95 2cct s PHE 221 Cb -0.17 -3.01 -0.05 0.00 0.51 0.00 0.00 43.02 40.31 2cct s PHE 221 CO 0.13 -1.63 -0.17 0.08 0.70 0.00 0.00 175.22 174.32 2cct s VAL 222 N -3.01 2.14 0.15 -0.44 1.01 -1.26 -4.62 120.40 114.37 2cct s VAL 222 Ca 0.60 -2.31 0.11 0.00 0.00 0.00 0.00 61.98 60.37 2cct s VAL 222 Cb -0.15 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2cct s VAL 222 CO 0.55 -0.47 -0.25 -1.61 0.00 0.00 0.00 175.10 173.32 2cct s GLU 223 N -3.57 1.41 0.00 2.72 2.02 -1.26 -4.99 118.70 115.02 2cct s GLU 223 Ca 0.27 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.86 2cct s GLU 223 Cb -0.03 -1.80 0.00 0.00 0.10 0.00 0.00 34.13 32.40 2cct s GLU 223 CO 0.12 0.41 0.00 1.17 0.02 0.00 0.00 175.26 176.98