#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d2m s SER 5 N 5.98 -0.38 0.01 0.00 1.04 -1.26 -4.73 113.70 114.35 2d2m s SER 5 Ca 0.55 0.66 -0.25 0.00 0.48 0.00 0.00 55.95 57.39 2d2m s SER 5 Cb -0.02 -0.89 -0.19 0.00 0.10 0.00 0.00 66.02 65.03 2d2m s SER 5 CO -0.05 -4.92 1.37 0.28 0.98 0.00 0.00 173.24 170.90 2d2m h SER 6 N -3.13 -0.03 0.10 7.02 0.02 -1.98 -1.78 113.55 113.78 2d2m h SER 6 Ca -0.42 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 60.18 2d2m h SER 6 Cb 1.31 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.86 2d2m h SER 6 CO 0.27 0.34 -0.01 1.05 -1.14 0.00 0.00 176.83 177.33 2d2m h GLU 7 N -0.40 0.00 0.03 3.45 9.09 -1.99 -1.58 114.58 123.18 2d2m h GLU 7 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.40 2d2m h GLU 7 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 2d2m h GLU 7 CO 0.01 0.01 -0.02 -0.44 0.05 0.00 0.00 179.01 178.62 2d2m h ASP 8 N 0.00 -0.04 -0.58 3.06 3.45 -1.81 -2.31 116.42 118.20 2d2m h ASP 8 Ca -0.00 -0.67 -0.02 0.00 0.43 0.00 0.00 57.03 56.77 2d2m h ASP 8 Cb 0.07 0.01 -0.03 0.00 -0.56 0.00 0.00 39.33 38.82 2d2m h ASP 8 CO 0.00 0.71 0.28 0.03 -1.57 0.00 0.00 179.24 178.69 2d2m h ARG 9 N -0.85 0.84 -0.05 3.56 3.08 -1.01 0.46 114.38 120.41 2d2m h ARG 9 Ca -0.00 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 59.93 2d2m h ARG 9 Cb 0.70 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2d2m h ARG 9 CO 0.01 0.68 -0.02 0.00 -1.07 0.00 0.00 179.97 179.57 2d2m h ALA 10 N 1.11 0.02 -0.68 0.04 0.00 -1.42 0.63 119.26 118.97 2d2m h ALA 10 Ca 0.20 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2d2m h ALA 10 Cb 0.12 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2d2m h ALA 10 CO -0.02 -0.50 0.41 -0.97 0.00 0.00 0.00 179.25 178.16 2d2m h ASN 11 N -0.02 0.81 -0.05 0.00 -0.00 -0.80 -1.15 115.58 114.37 2d2m h ASN 11 Ca 0.03 -0.04 -0.18 0.00 -0.00 0.00 0.00 56.30 56.10 2d2m h ASN 11 Cb 0.07 -0.20 0.01 0.00 -0.00 0.00 0.00 38.32 38.20 2d2m h ASN 11 CO -0.07 0.62 -0.69 0.58 -0.00 0.00 0.00 177.43 177.87 2d2m h VAL 12 N 0.93 1.36 -0.03 2.57 2.07 0.48 -2.30 116.25 121.34 2d2m h VAL 12 Ca 0.24 -2.03 0.01 0.00 0.82 0.00 0.00 66.70 65.74 2d2m h VAL 12 Cb -0.04 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2d2m h VAL 12 CO -0.05 0.61 0.02 0.24 0.02 0.00 0.00 177.57 178.42 2d2m h MET 13 N 0.14 0.00 0.16 1.57 2.86 0.60 0.02 114.93 120.28 2d2m h MET 13 Ca -0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2d2m h MET 13 Cb 1.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.02 2d2m h MET 13 CO 0.14 0.00 -0.08 1.25 1.06 0.00 0.00 176.91 179.28 2d2m h HIS 14 N 0.00 -0.20 -0.74 -0.22 6.17 -1.08 0.68 115.15 119.76 2d2m h HIS 14 Ca 0.01 -0.00 0.17 0.00 0.71 0.00 0.00 60.37 61.25 2d2m h HIS 14 Cb 0.06 0.07 -0.13 0.00 2.52 0.00 0.00 27.41 29.92 2d2m h HIS 14 CO 0.00 0.23 -0.02 -0.91 0.71 0.00 0.00 177.93 177.94 2d2m h ASN 15 N -0.88 -0.39 1.27 3.26 -0.26 -0.79 0.48 115.58 118.27 2d2m h ASN 15 Ca -0.02 0.20 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 2d2m h ASN 15 Cb 0.52 0.36 0.00 0.00 -1.06 0.00 0.00 38.32 38.13 2d2m h ASN 15 CO 0.04 -0.19 0.00 1.87 -1.06 0.00 0.00 177.43 178.09 2d2m n TRP 16 N -5.36 0.76 -0.04 1.19 -0.00 -0.07 -3.18 117.44 110.74 2d2m n TRP 16 Ca 0.13 0.23 -0.13 0.00 -0.00 0.00 0.00 57.50 57.74 2d2m n TRP 16 Cb 0.46 -0.88 -0.08 0.00 -0.00 0.00 0.00 31.31 30.81 2d2m n TRP 16 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 177.69 177.91 2d2m h ASP 17 N 0.00 0.21 -4.00 5.87 -0.00 0.24 -3.38 116.42 115.37 2d2m h ASP 17 Ca 0.00 -0.44 -0.45 0.00 -0.00 0.00 0.00 57.03 56.14 2d2m h ASP 17 Cb 0.64 -0.06 0.14 0.00 -0.00 0.00 0.00 39.33 40.05 2d2m h ASP 17 CO 0.00 0.60 0.39 0.00 -0.00 0.00 0.00 179.24 180.23 2d2m s ALA 18 N -4.47 2.48 0.00 -0.78 0.00 -0.88 -3.59 121.76 114.53 2d2m s ALA 18 Ca -0.15 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2d2m s ALA 18 Cb 0.04 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.41 2d2m s ALA 18 CO 0.71 -2.14 0.00 0.00 0.00 0.00 0.00 175.76 174.33 2d2m n ALA 19 N -3.56 0.00 -2.60 0.00 0.00 -1.26 -4.87 120.51 108.23 2d2m n ALA 19 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.36 2d2m n ALA 19 Cb 0.60 -1.38 -0.14 0.00 0.00 0.00 0.00 19.45 18.54 2d2m n ALA 19 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2d2m s TRP 20 N -0.98 1.36 -0.12 0.00 -0.11 -1.24 -4.90 118.94 112.95 2d2m s TRP 20 Ca 0.00 -0.34 -0.01 0.00 1.22 0.00 0.00 56.10 56.97 2d2m s TRP 20 Cb 0.00 -0.81 0.03 0.00 -1.50 0.00 0.00 33.47 31.19 2d2m s TRP 20 CO 0.00 0.04 -0.05 0.45 -4.62 0.00 0.00 176.95 172.77 2d2m s SER 21 N -1.05 2.28 0.00 5.86 0.15 -1.26 -4.99 113.70 114.69 2d2m s SER 21 Ca 0.03 -0.38 0.29 0.00 0.70 0.00 0.00 55.95 56.59 2d2m s SER 21 Cb -0.08 -0.78 1.18 0.00 -1.71 0.00 0.00 66.02 64.63 2d2m s SER 21 CO 0.01 -0.16 1.86 0.00 1.20 0.00 0.00 173.24 176.15 2d2m n ALA 22 N 4.97 2.68 -0.11 5.45 0.00 -1.26 -3.98 120.51 128.26 2d2m n ALA 22 Ca -0.11 -0.20 -0.22 0.00 0.00 0.00 0.00 53.44 52.91 2d2m n ALA 22 Cb 0.49 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.46 2d2m n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d2m n ALA 23 N -1.30 0.84 -2.71 0.00 0.00 -1.26 -4.97 120.51 111.12 2d2m n ALA 23 Ca 0.10 -0.60 -0.32 0.00 0.00 0.00 0.00 53.44 52.63 2d2m n ALA 23 Cb 0.30 -0.39 -0.16 0.00 0.00 0.00 0.00 19.45 19.20 2d2m n ALA 23 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2d2m s TYR 24 N -2.39 2.53 -0.80 0.00 1.51 -1.26 -5.02 117.35 111.93 2d2m s TYR 24 Ca -0.30 -0.59 0.27 0.00 -1.01 0.00 0.00 57.07 55.44 2d2m s TYR 24 Cb 0.07 -1.63 0.89 0.00 -0.11 0.00 0.00 41.96 41.18 2d2m s TYR 24 CO 0.55 -0.13 1.79 -1.13 -1.11 0.00 0.00 175.55 175.51 2d2m n SER 25 N 2.88 0.60 -0.31 2.29 3.41 -1.26 -3.96 113.62 117.26 2d2m n SER 25 Ca -0.17 0.52 0.17 0.00 -0.26 0.00 0.00 58.87 59.12 2d2m n SER 25 Cb 0.52 -0.66 0.42 0.00 -0.26 0.00 0.00 64.21 64.23 2d2m n SER 25 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2d2m h ASP 26 N 0.00 0.60 0.07 4.04 -0.00 -1.95 -1.51 116.42 117.67 2d2m h ASP 26 Ca 0.00 0.08 -0.14 0.00 -0.00 0.00 0.00 57.03 56.96 2d2m h ASP 26 Cb 0.67 -0.03 0.01 0.00 -0.00 0.00 0.00 39.33 39.99 2d2m h ASP 26 CO 0.00 0.21 -0.60 -0.09 -0.00 0.00 0.00 179.24 178.75 2d2m h ARG 27 N 0.58 0.29 -1.01 4.15 2.43 -1.95 -2.87 114.38 116.00 2d2m h ARG 27 Ca 0.54 -0.40 0.24 0.00 -0.81 0.00 0.00 59.98 59.55 2d2m h ARG 27 Cb 1.09 0.14 -0.10 0.00 -0.42 0.00 0.00 29.97 30.68 2d2m h ARG 27 CO -0.30 1.14 0.63 0.00 -1.51 0.00 0.00 179.97 179.93 2d2m h ARG 28 N -0.35 0.51 -0.19 0.20 3.08 -1.59 0.47 114.38 116.50 2d2m h ARG 28 Ca -0.09 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 2d2m h ARG 28 Cb 1.40 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 2d2m h ARG 28 CO 0.12 0.34 -0.23 0.28 -1.07 0.00 0.00 179.97 179.40 2d2m h VAL 29 N 0.53 1.33 -0.57 2.04 2.07 -1.31 -1.18 116.25 119.16 2d2m h VAL 29 Ca 0.59 -1.42 0.08 0.00 0.82 0.00 0.00 66.70 66.76 2d2m h VAL 29 Cb 1.26 1.81 -0.06 0.00 -1.52 0.00 0.00 31.29 32.78 2d2m h VAL 29 CO -0.34 0.43 0.24 0.00 0.02 0.00 0.00 177.57 177.92 2d2m h ALA 30 N 0.63 0.73 0.63 1.67 0.00 -0.73 0.36 119.26 122.55 2d2m h ALA 30 Ca 0.03 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2d2m h ALA 30 Cb 0.79 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.60 2d2m h ALA 30 CO 0.06 -0.16 -0.30 1.25 0.00 0.00 0.00 179.25 180.09 2d2m h LEU 31 N 0.44 -0.72 0.01 0.00 5.85 -1.11 -1.88 115.31 117.89 2d2m h LEU 31 Ca 0.28 0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.05 2d2m h LEU 31 Cb 0.29 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 2d2m h LEU 31 CO -0.25 -0.51 -0.34 0.00 -0.34 0.00 0.00 178.44 177.00 2d2m h ALA 32 N -0.47 -0.50 -0.58 1.25 0.00 -0.66 -1.04 119.26 117.26 2d2m h ALA 32 Ca -0.09 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.92 2d2m h ALA 32 Cb 0.65 0.59 -0.10 0.00 0.00 0.00 0.00 17.79 18.93 2d2m h ALA 32 CO 0.14 -0.86 -0.01 1.96 0.00 0.00 0.00 179.25 180.48 2d2m h GLN 33 N -0.50 0.10 -0.87 0.00 4.20 -0.27 0.17 115.11 117.95 2d2m h GLN 33 Ca 0.06 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.79 2d2m h GLN 33 Cb 0.58 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 2d2m h GLN 33 CO -0.27 0.07 0.56 0.00 -0.67 0.00 0.00 178.83 178.52 2d2m h ALA 34 N 1.53 1.14 -0.02 3.87 0.00 -0.79 0.82 119.26 125.81 2d2m h ALA 34 Ca 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2d2m h ALA 34 Cb 0.47 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2d2m h ALA 34 CO -0.50 0.40 0.01 0.28 0.00 0.00 0.00 179.25 179.44 2d2m h VAL 35 N 1.08 1.01 -0.64 0.00 2.07 0.51 -2.52 116.25 117.76 2d2m h VAL 35 Ca 0.35 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.79 2d2m h VAL 35 Cb 0.01 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2d2m h VAL 35 CO -0.12 0.01 0.14 -0.26 0.02 0.00 0.00 177.57 177.36 2d2m h PHE 36 N 0.03 1.07 -0.50 1.57 0.04 -0.00 -1.63 116.94 117.51 2d2m h PHE 36 Ca 0.01 -0.12 0.05 0.00 2.80 0.00 0.00 57.97 60.71 2d2m h PHE 36 Cb -0.00 -0.30 -0.07 0.00 2.20 0.00 0.00 35.95 37.77 2d2m h PHE 36 CO -0.08 0.88 -0.43 0.00 -0.60 0.00 0.00 178.31 178.09 2d2m h ALA 37 N 1.18 -0.55 0.43 2.45 0.00 0.11 -0.79 119.26 122.09 2d2m h ALA 37 Ca 0.20 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2d2m h ALA 37 Cb 0.36 1.14 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2d2m h ALA 37 CO 0.00 -0.80 -0.21 0.66 0.00 0.00 0.00 179.25 178.90 2d2m h SER 38 N -0.17 -0.49 -0.65 0.00 4.64 -1.40 -0.96 113.55 114.52 2d2m h SER 38 Ca 0.08 -0.05 0.07 0.00 -0.47 0.00 0.00 61.79 61.42 2d2m h SER 38 Cb 0.38 0.13 -0.08 0.00 -0.31 0.00 0.00 62.40 62.52 2d2m h SER 38 CO -0.56 -0.26 -0.36 -0.11 -0.87 0.00 0.00 176.83 174.67 2d2m n LEU 39 N -5.29 -0.64 -0.06 5.97 7.94 -0.62 0.68 117.00 124.97 2d2m n LEU 39 Ca -0.11 1.16 -0.14 0.00 -1.11 0.00 0.00 56.01 55.81 2d2m n LEU 39 Cb 0.27 -0.17 -0.06 0.00 0.53 0.00 0.00 43.42 43.99 2d2m n LEU 39 CO 0.35 -0.96 0.56 -0.26 -1.11 0.00 0.00 177.39 175.96 2d2m h PHE 40 N 0.00 0.59 -0.42 1.96 0.04 -1.17 -2.74 116.94 115.20 2d2m h PHE 40 Ca 0.13 -0.19 0.12 0.00 2.80 0.00 0.00 57.97 60.83 2d2m h PHE 40 Cb 0.29 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 2d2m h PHE 40 CO -0.65 0.87 0.55 1.03 -0.60 0.00 0.00 178.31 179.52 2d2m h SER 41 N 0.13 0.00 -0.15 2.17 0.87 0.17 0.53 113.55 117.27 2d2m h SER 41 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2d2m h SER 41 Cb 0.80 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 2d2m h SER 41 CO 0.06 0.00 0.00 -2.11 -0.53 0.00 0.00 176.83 174.25 2d2m n ARG 42 N -3.46 2.27 -2.67 2.24 1.85 0.93 -4.72 116.66 113.11 2d2m n ARG 42 Ca 0.08 -2.68 -0.04 0.00 -1.00 0.00 0.00 57.85 54.20 2d2m n ARG 42 Cb 0.72 -1.67 0.09 0.00 -1.05 0.00 0.00 32.46 30.55 2d2m n ARG 42 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2d2m n ASP 43 N -0.85 -1.34 -0.31 2.89 4.64 0.17 -5.03 116.55 116.72 2d2m n ASP 43 Ca 0.18 -1.88 0.10 0.00 -1.38 0.00 0.00 54.79 51.81 2d2m n ASP 43 Cb 0.76 0.88 0.21 0.00 -1.04 0.00 0.00 41.12 41.93 2d2m n ASP 43 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2d2m h ALA 44 N 2.92 0.94 -1.01 -1.67 0.00 -1.49 0.59 119.26 119.54 2d2m h ALA 44 Ca -0.25 0.31 0.24 0.00 0.00 0.00 0.00 54.91 55.21 2d2m h ALA 44 Cb 1.20 0.56 -0.10 0.00 0.00 0.00 0.00 17.79 19.45 2d2m h ALA 44 CO -0.12 -0.48 0.64 0.00 0.00 0.00 0.00 179.25 179.28 2d2m h ALA 45 N 1.88 2.04 -0.68 0.00 0.00 -1.96 -1.16 119.26 119.38 2d2m h ALA 45 Ca 0.51 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.51 2d2m h ALA 45 Cb 0.96 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2d2m h ALA 45 CO -0.85 -0.43 0.43 0.00 0.00 0.00 0.00 179.25 178.41 2d2m h ALA 46 N 1.64 0.88 -1.20 0.00 0.00 -0.15 -2.42 119.26 118.01 2d2m h ALA 46 Ca 0.58 -0.03 0.35 0.00 0.00 0.00 0.00 54.91 55.81 2d2m h ALA 46 Cb 1.28 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2d2m h ALA 46 CO -0.33 0.22 0.90 0.37 0.00 0.00 0.00 179.25 180.41 2d2m h GLN 47 N 0.86 0.00 -0.66 0.00 4.15 -1.23 0.25 115.11 118.48 2d2m h GLN 47 Ca 0.27 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 2d2m h GLN 47 Cb -0.02 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 2d2m h GLN 47 CO -0.09 0.00 0.32 0.78 -1.93 0.00 0.00 178.83 177.91 2d2m h GLY 48 N 0.00 0.99 1.16 2.39 0.00 -1.55 -2.36 103.07 103.70 2d2m h GLY 48 Ca 0.57 -0.46 0.08 0.00 0.00 0.00 0.00 47.33 47.52 2d2m h GLY 48 CO -0.01 0.44 0.34 1.41 0.00 0.00 0.00 176.54 178.73 2d2m h LEU 49 N 0.93 0.00 -3.87 3.11 3.38 -0.66 -1.18 115.31 117.01 2d2m h LEU 49 Ca 0.23 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.80 2d2m h LEU 49 Cb 0.08 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.60 2d2m h LEU 49 CO -0.03 0.00 0.48 0.49 0.09 0.00 0.00 178.44 179.47 2d2m n PHE 50 N -3.65 2.74 0.27 1.13 3.01 -0.89 -4.38 117.46 115.69 2d2m n PHE 50 Ca 0.04 -1.62 0.11 0.00 1.01 0.00 0.00 57.45 56.99 2d2m n PHE 50 Cb 0.48 -0.83 0.73 0.00 -0.01 0.00 0.00 39.48 39.85 2d2m n PHE 50 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2d2m h SER 51 N 1.55 0.00 0.10 4.37 4.64 -1.34 0.14 113.55 123.00 2d2m h SER 51 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 2d2m h SER 51 Cb 2.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.71 2d2m h SER 51 CO 0.94 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.56 2d2m n GLY 52 N -1.23 -0.45 3.02 -0.77 0.00 -1.26 -4.49 105.19 100.02 2d2m n GLY 52 Ca -0.03 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 2d2m n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d2m s VAL 53 N -2.37 0.47 -0.04 1.61 1.01 0.48 -5.02 120.40 116.54 2d2m s VAL 53 Ca 0.09 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 2d2m s VAL 53 Cb 0.06 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 2d2m s VAL 53 CO 0.11 -0.22 0.95 -1.20 0.00 0.00 0.00 175.10 174.74 2d2m n SER 54 N 1.98 0.72 -0.34 3.32 7.64 -1.26 -4.44 113.62 121.24 2d2m n SER 54 Ca -0.19 -1.70 0.08 0.00 1.01 0.00 0.00 58.87 58.06 2d2m n SER 54 Cb 0.56 -0.26 0.25 0.00 -1.01 0.00 0.00 64.21 63.75 2d2m n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d2m h ALA 55 N 6.00 1.48 -0.43 -0.43 0.00 -1.87 0.39 119.26 124.40 2d2m h ALA 55 Ca 0.04 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.13 2d2m h ALA 55 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2d2m h ALA 55 CO 0.58 0.08 0.50 -0.44 0.00 0.00 0.00 179.25 179.96 2d2m h ASP 56 N 0.84 0.00 -3.06 0.00 5.19 -1.89 -2.92 116.42 114.57 2d2m h ASP 56 Ca 0.50 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 56.30 2d2m h ASP 56 Cb 0.62 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.73 2d2m h ASP 56 CO -0.32 0.00 -0.71 0.21 -3.12 0.00 0.00 179.24 175.31 2d2m s ASN 57 N -5.10 3.74 0.24 6.45 3.04 0.14 -4.97 114.94 118.47 2d2m s ASN 57 Ca -0.04 -3.40 -0.08 0.00 0.04 0.00 0.00 52.86 49.37 2d2m s ASN 57 Cb 0.15 -1.23 0.39 0.00 -1.54 0.00 0.00 41.25 39.01 2d2m s ASN 57 CO 0.52 -0.14 1.64 -0.65 -3.04 0.00 0.00 177.10 175.43 2d2m h PRO 58 N 5.74 0.09 -0.80 0.43 0.11 -1.60 0.87 132.00 136.84 2d2m h PRO 58 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2d2m h PRO 58 Cb 0.83 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2d2m h PRO 58 CO 0.59 0.06 0.00 -3.47 -0.21 0.00 0.00 178.00 174.97 2d2m n ASP 59 N -5.35 0.77 -4.67 -2.05 4.64 -1.26 -4.08 116.55 104.56 2d2m n ASP 59 Ca 0.12 -0.95 -0.35 0.00 -1.38 0.00 0.00 54.79 52.23 2d2m n ASP 59 Cb 0.44 -0.24 -0.10 0.00 -1.04 0.00 0.00 41.12 40.18 2d2m n ASP 59 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 2d2m s SER 60 N -0.05 5.14 0.16 1.67 1.04 0.30 -4.98 113.70 116.98 2d2m s SER 60 Ca 0.00 0.12 -0.29 0.00 0.48 0.00 0.00 55.95 56.26 2d2m s SER 60 Cb 0.00 -1.42 -0.02 0.00 0.10 0.00 0.00 66.02 64.68 2d2m s SER 60 CO 0.00 0.38 1.55 0.00 0.98 0.00 0.00 173.24 176.15 2d2m h ALA 61 N 5.17 -0.48 -0.99 5.32 0.00 -1.87 0.47 119.26 126.87 2d2m h ALA 61 Ca -0.51 0.10 0.37 0.00 0.00 0.00 0.00 54.91 54.88 2d2m h ALA 61 Cb 1.19 1.16 -0.17 0.00 0.00 0.00 0.00 17.79 19.97 2d2m h ALA 61 CO 0.54 -0.92 0.45 0.22 0.00 0.00 0.00 179.25 179.54 2d2m h ASP 62 N -0.17 0.21 0.00 0.00 3.58 -1.95 0.19 116.42 118.28 2d2m h ASP 62 Ca 0.16 0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.84 2d2m h ASP 62 Cb 0.52 0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.85 2d2m h ASP 62 CO -0.79 -0.37 -0.12 0.15 -2.88 0.00 0.00 179.24 175.24 2d2m h PHE 63 N 0.06 0.00 -0.53 0.28 -0.00 -0.46 -3.21 116.94 113.08 2d2m h PHE 63 Ca 0.78 0.00 0.15 0.00 -0.00 0.00 0.00 57.97 58.90 2d2m h PHE 63 Cb 1.95 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 37.88 2d2m h PHE 63 CO -0.10 0.52 0.49 0.00 -0.00 0.00 0.00 178.31 179.22 2d2m h ARG 64 N -1.00 0.00 -0.49 1.11 3.08 0.07 0.80 114.38 117.95 2d2m h ARG 64 Ca -0.02 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 2d2m h ARG 64 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 2d2m h ARG 64 CO -0.01 0.00 -0.06 0.00 -1.07 0.00 0.00 179.97 178.82 2d2m h ALA 65 N 1.53 0.67 -0.40 0.04 0.00 -0.75 -2.20 119.26 118.14 2d2m h ALA 65 Ca 0.25 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2d2m h ALA 65 Cb 1.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2d2m h ALA 65 CO -0.00 0.54 -0.01 1.25 0.00 0.00 0.00 179.25 181.02 2d2m h HIS 66 N 0.77 0.68 0.31 0.00 -0.00 0.57 -2.66 115.15 114.83 2d2m h HIS 66 Ca 0.13 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 2d2m h HIS 66 Cb 0.60 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 2d2m h HIS 66 CO 0.04 0.66 -0.21 0.00 -0.00 0.00 0.00 177.93 178.42 2d2m h VAL 68 N -0.52 0.46 -0.32 0.00 2.07 -1.16 0.24 116.25 117.03 2d2m h VAL 68 Ca -0.03 -0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.56 2d2m h VAL 68 Cb 0.44 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 2d2m h VAL 68 CO 0.02 0.00 -0.19 0.03 0.02 0.00 0.00 177.57 177.45 2d2m h ARG 69 N 0.00 -0.14 0.74 1.57 3.08 -1.13 0.64 114.38 119.13 2d2m h ARG 69 Ca 0.26 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.28 2d2m h ARG 69 Cb 0.40 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.48 2d2m h ARG 69 CO -0.56 -0.09 -0.35 0.28 -1.07 0.00 0.00 179.97 178.17 2d2m h VAL 70 N -0.15 0.00 -1.03 2.04 2.07 -0.68 0.63 116.25 119.13 2d2m h VAL 70 Ca 0.16 -0.15 0.28 0.00 0.82 0.00 0.00 66.70 67.82 2d2m h VAL 70 Cb 0.40 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.04 2d2m h VAL 70 CO -0.41 0.00 0.61 0.58 0.02 0.00 0.00 177.57 178.38 2d2m h VAL 71 N -1.14 0.43 -0.13 2.57 2.07 -0.41 0.32 116.25 119.96 2d2m h VAL 71 Ca -0.10 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 2d2m h VAL 71 Cb 0.76 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2d2m h VAL 71 CO 0.17 0.08 -0.24 -1.13 0.02 0.00 0.00 177.57 176.47 2d2m h ASN 72 N 0.44 0.44 -0.89 0.57 -1.24 0.50 -2.07 115.58 113.33 2d2m h ASN 72 Ca 0.68 -0.55 0.06 0.00 0.71 0.00 0.00 56.30 57.20 2d2m h ASN 72 Cb 1.49 -0.13 -0.06 0.00 0.73 0.00 0.00 38.32 40.35 2d2m h ASN 72 CO -0.49 0.90 0.56 1.23 -1.29 0.00 0.00 177.43 178.35 2d2m h GLY 73 N -0.01 1.34 1.13 1.57 0.00 0.37 0.39 103.07 107.86 2d2m h GLY 73 Ca 0.01 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 2d2m h GLY 73 CO 0.05 0.30 -0.15 -2.00 0.00 0.00 0.00 176.54 174.74 2d2m h LEU 74 N 1.04 1.02 -1.03 3.11 6.46 -0.66 -1.81 115.31 123.44 2d2m h LEU 74 Ca 0.38 -0.36 -0.10 0.00 -0.12 0.00 0.00 57.88 57.68 2d2m h LEU 74 Cb 0.13 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 2d2m h LEU 74 CO -0.16 1.15 -0.40 -0.78 -0.62 0.00 0.00 178.44 177.63 2d2m h ASP 75 N 0.89 0.17 0.37 1.25 3.58 -0.58 0.19 116.42 122.29 2d2m h ASP 75 Ca 0.13 -0.07 -0.15 0.00 0.42 0.00 0.00 57.03 57.36 2d2m h ASP 75 Cb 0.72 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 2d2m h ASP 75 CO 0.06 0.56 -0.61 0.58 -2.88 0.00 0.00 179.24 176.94 2d2m h VAL 76 N 0.14 1.39 0.23 2.25 2.07 0.09 -2.65 116.25 119.78 2d2m h VAL 76 Ca 0.01 -2.00 -0.31 0.00 0.82 0.00 0.00 66.70 65.22 2d2m h VAL 76 Cb 0.78 2.02 0.04 0.00 -1.52 0.00 0.00 31.29 32.60 2d2m h VAL 76 CO 0.06 0.59 -1.36 0.00 0.02 0.00 0.00 177.57 176.88 2d2m h ALA 77 N 1.19 -0.14 -0.44 1.67 0.00 -0.96 -3.22 119.26 117.36 2d2m h ALA 77 Ca -0.01 -0.84 0.06 0.00 0.00 0.00 0.00 54.91 54.13 2d2m h ALA 77 Cb 1.12 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2d2m h ALA 77 CO 0.09 0.64 0.30 0.82 0.00 0.00 0.00 179.25 181.10 2d2m h ILE 78 N 0.04 0.96 0.00 0.00 2.04 -0.62 -0.59 117.51 119.34 2d2m h ILE 78 Ca -0.24 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.50 2d2m h ILE 78 Cb 2.07 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 2d2m h ILE 78 CO 0.25 0.07 -0.09 0.59 0.00 0.00 0.00 178.15 178.96 2d2m n ASN 79 N -4.47 0.76 0.02 1.72 4.13 -1.00 -2.81 115.26 113.61 2d2m n ASN 79 Ca 0.06 0.50 0.12 0.00 1.68 0.00 0.00 54.58 56.93 2d2m n ASN 79 Cb 0.25 -0.64 0.17 0.00 -1.54 0.00 0.00 39.78 38.02 2d2m n ASN 79 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 2d2m n MET 80 N -2.20 0.14 0.20 3.52 2.81 -0.29 -4.26 117.12 117.04 2d2m n MET 80 Ca 0.05 0.02 0.05 0.00 -1.81 0.00 0.00 57.70 56.02 2d2m n MET 80 Cb 0.43 -1.57 0.26 0.00 -0.71 0.00 0.00 33.22 31.62 2d2m n MET 80 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2d2m h LEU 81 N 0.00 0.00 0.00 4.03 5.85 -1.23 1.37 115.31 125.33 2d2m h LEU 81 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2d2m h LEU 81 Cb 0.62 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2d2m h LEU 81 CO 0.00 0.00 -1.58 0.59 -0.34 0.00 0.00 178.44 177.11 2d2m n ASN 82 N -2.09 0.57 -3.31 1.25 5.03 -1.26 -4.56 115.26 110.89 2d2m n ASN 82 Ca -0.01 -0.33 -0.29 0.00 0.87 0.00 0.00 54.58 54.82 2d2m n ASN 82 Cb 0.54 1.60 -0.05 0.00 -1.02 0.00 0.00 39.78 40.85 2d2m n ASN 82 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2d2m n ASP 83 N -1.95 4.40 -0.27 6.41 4.64 0.47 -4.97 116.55 125.28 2d2m n ASP 83 Ca -0.01 -3.54 -0.07 0.00 -1.38 0.00 0.00 54.79 49.79 2d2m n ASP 83 Cb 0.45 -0.70 -0.06 0.00 -1.04 0.00 0.00 41.12 39.77 2d2m n ASP 83 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 2d2m n PRO 84 N 0.46 -0.27 -0.35 -0.67 -0.02 -1.23 -0.93 135.00 132.00 2d2m n PRO 84 Ca 0.31 0.96 -0.03 0.00 -2.02 0.00 0.00 63.50 62.72 2d2m n PRO 84 Cb 0.39 -1.41 0.02 0.00 -0.02 0.00 0.00 33.50 32.48 2d2m n PRO 84 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2d2m h ALA 85 N 0.34 0.03 0.61 3.55 0.00 -1.93 0.20 119.26 122.06 2d2m h ALA 85 Ca 0.11 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 2d2m h ALA 85 Cb 0.26 1.01 0.01 0.00 0.00 0.00 0.00 17.79 19.07 2d2m h ALA 85 CO -0.60 -0.68 -0.29 0.28 0.00 0.00 0.00 179.25 177.96 2d2m h VAL 86 N -0.04 0.37 -0.93 0.00 2.07 -1.38 -3.01 116.25 113.33 2d2m h VAL 86 Ca 0.30 -0.10 0.15 0.00 0.82 0.00 0.00 66.70 67.86 2d2m h VAL 86 Cb 0.57 0.41 -0.15 0.00 -1.52 0.00 0.00 31.29 30.60 2d2m h VAL 86 CO -0.92 0.02 -0.35 -0.11 0.02 0.00 0.00 177.57 176.23 2d2m n LEU 87 N -5.42 -0.58 -0.25 2.57 7.94 -0.12 0.08 117.00 121.22 2d2m n LEU 87 Ca -0.13 1.62 0.01 0.00 -1.11 0.00 0.00 56.01 56.40 2d2m n LEU 87 Cb 0.35 -0.38 0.08 0.00 0.53 0.00 0.00 43.42 43.99 2d2m n LEU 87 CO 0.36 -1.46 0.71 0.78 -1.11 0.00 0.00 177.39 176.68 2d2m h ASN 88 N 0.00 -0.71 -0.45 1.96 2.35 -0.92 0.30 115.58 118.11 2d2m h ASN 88 Ca 0.33 0.22 0.06 0.00 -0.55 0.00 0.00 56.30 56.36 2d2m h ASN 88 Cb 0.56 0.46 -0.05 0.00 0.05 0.00 0.00 38.32 39.34 2d2m h ASN 88 CO -0.92 -0.24 0.15 -0.08 -1.65 0.00 0.00 177.43 174.68 2d2m h GLU 89 N -0.01 0.30 0.68 0.81 4.57 -0.35 0.54 114.58 121.12 2d2m h GLU 89 Ca 0.34 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.47 2d2m h GLU 89 Cb 0.53 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 29.06 2d2m h GLU 89 CO -0.75 0.20 -0.33 0.37 -1.18 0.00 0.00 179.01 177.33 2d2m h GLN 90 N 0.31 -0.88 -0.73 1.92 5.75 -0.07 0.24 115.11 121.65 2d2m h GLN 90 Ca 0.21 0.06 0.08 0.00 -0.15 0.00 0.00 58.65 58.86 2d2m h GLN 90 Cb 0.22 0.20 -0.07 0.00 1.07 0.00 0.00 27.48 28.91 2d2m h GLN 90 CO -0.23 -0.56 0.40 -0.07 -2.65 0.00 0.00 178.83 175.72 2d2m h LEU 91 N -0.99 0.56 -0.22 -2.39 3.38 -0.34 0.42 115.31 115.74 2d2m h LEU 91 Ca -0.09 0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.98 2d2m h LEU 91 Cb 0.72 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 2d2m h LEU 91 CO 0.15 0.33 -0.18 0.00 0.09 0.00 0.00 178.44 178.84 2d2m h ALA 92 N 1.41 -0.04 -1.18 1.53 0.00 0.38 0.49 119.26 121.85 2d2m h ALA 92 Ca 0.35 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2d2m h ALA 92 Cb 0.31 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2d2m h ALA 92 CO -0.23 -0.60 0.00 1.58 0.00 0.00 0.00 179.25 179.99 2d2m n HIS 93 N -5.33 0.00 -0.29 0.00 -0.00 0.83 -1.77 115.22 108.65 2d2m n HIS 93 Ca -0.01 0.00 0.28 0.00 -0.00 0.00 0.00 57.72 57.98 2d2m n HIS 93 Cb 0.25 -0.30 0.49 0.00 -0.00 0.00 0.00 29.99 30.42 2d2m n HIS 93 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2d2m n LEU 94 N -1.65 0.24 0.15 0.27 4.77 0.13 -0.26 117.00 120.64 2d2m n LEU 94 Ca 0.00 1.23 -0.07 0.00 -0.03 0.00 0.00 56.01 57.15 2d2m n LEU 94 Cb 0.00 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.45 2d2m n LEU 94 CO 0.00 -1.37 0.51 -1.28 -1.33 0.00 0.00 177.39 173.92 2d2m h SER 95 N 0.00 -0.43 -1.27 -1.43 0.87 0.79 -2.68 113.55 109.40 2d2m h SER 95 Ca 0.68 0.02 0.38 0.00 -1.23 0.00 0.00 61.79 61.64 2d2m h SER 95 Cb 1.94 0.12 -0.09 0.00 -0.44 0.00 0.00 62.40 63.93 2d2m h SER 95 CO -0.52 -0.26 0.85 0.00 -0.53 0.00 0.00 176.83 176.37 2d2m h ALA 96 N -1.67 2.78 -0.32 6.23 0.00 0.20 0.70 119.26 127.19 2d2m h ALA 96 Ca -0.04 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2d2m h ALA 96 Cb 0.34 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2d2m h ALA 96 CO 0.04 -1.27 -0.14 1.96 0.00 0.00 0.00 179.25 179.84 2d2m h GLN 97 N 0.15 0.56 0.00 0.00 4.20 -1.17 -1.21 115.11 117.65 2d2m h GLN 97 Ca 0.70 -0.18 -0.16 0.00 0.06 0.00 0.00 58.65 59.08 2d2m h GLN 97 Cb 2.29 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 30.00 2d2m h GLN 97 CO -0.25 0.69 -0.76 0.45 -0.67 0.00 0.00 178.83 178.29 2d2m h HIS 98 N 0.52 0.00 -0.51 2.96 3.86 0.70 -3.09 115.15 119.58 2d2m h HIS 98 Ca 0.09 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.18 2d2m h HIS 98 Cb 0.54 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 2d2m h HIS 98 CO 0.02 0.74 -0.15 1.96 0.86 0.00 0.00 177.93 181.36 2d2m h GLN 99 N 0.00 0.98 0.00 2.45 4.20 -0.99 -1.39 115.11 120.36 2d2m h GLN 99 Ca -0.01 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.32 2d2m h GLN 99 Cb 1.57 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.30 2d2m h GLN 99 CO 0.09 1.05 0.00 0.00 -0.67 0.00 0.00 178.83 179.31 2d2m n ALA 100 N -2.50 1.72 -3.68 3.87 0.00 -0.48 -4.28 120.51 115.15 2d2m n ALA 100 Ca 0.01 -0.03 -0.36 0.00 0.00 0.00 0.00 53.44 53.06 2d2m n ALA 100 Cb 0.42 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.67 2d2m n ALA 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2d2m s ARG 101 N -2.00 2.17 -0.10 0.00 3.00 -0.53 -5.06 118.95 116.44 2d2m s ARG 101 Ca 0.07 -1.65 -0.33 0.00 0.00 0.00 0.00 55.73 53.83 2d2m s ARG 101 Cb 0.03 -3.52 -0.11 0.00 0.00 0.00 0.00 34.95 31.36 2d2m s ARG 101 CO 0.05 -0.95 1.96 0.00 0.00 0.00 0.00 175.30 176.36 2d2m n ALA 102 N 4.64 1.10 0.00 2.13 0.00 -1.26 -3.75 120.51 123.37 2d2m n ALA 102 Ca -0.06 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2d2m n ALA 102 Cb 0.42 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.29 2d2m n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d2m n GLY 103 N 4.72 1.53 0.04 0.00 0.00 -1.26 -5.01 105.19 105.21 2d2m n GLY 103 Ca 0.24 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 2d2m n GLY 103 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2d2m n VAL 104 N 0.00 0.00 -4.40 1.61 3.14 -1.25 -4.92 118.33 112.51 2d2m n VAL 104 Ca 0.00 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.17 2d2m n VAL 104 Cb 0.00 -0.01 -0.10 0.00 -1.06 0.00 0.00 33.84 32.67 2d2m n VAL 104 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2d2m s ALA 105 N 0.06 2.29 0.09 1.55 0.00 -1.26 -4.90 121.76 119.59 2d2m s ALA 105 Ca 0.01 -1.78 -0.16 0.00 0.00 0.00 0.00 51.96 50.04 2d2m s ALA 105 Cb -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 2d2m s ALA 105 CO 0.01 0.08 0.81 0.00 0.00 0.00 0.00 175.76 176.65 2d2m n ALA 106 N -0.50 -0.31 -0.37 0.00 0.00 -1.26 -0.49 120.51 117.59 2d2m n ALA 106 Ca -0.07 0.45 -0.02 0.00 0.00 0.00 0.00 53.44 53.80 2d2m n ALA 106 Cb 0.61 -0.09 0.02 0.00 0.00 0.00 0.00 19.45 19.99 2d2m n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d2m h ALA 107 N 0.31 0.06 -1.32 0.00 0.00 -1.96 0.02 119.26 116.38 2d2m h ALA 107 Ca 0.09 0.25 0.47 0.00 0.00 0.00 0.00 54.91 55.72 2d2m h ALA 107 Cb 0.22 1.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.91 2d2m h ALA 107 CO -0.49 -0.67 0.83 0.45 0.00 0.00 0.00 179.25 179.36 2d2m h HIS 108 N -0.02 0.56 0.00 0.00 -0.00 -1.19 1.07 115.15 115.58 2d2m h HIS 108 Ca 0.32 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.71 2d2m h HIS 108 Cb 0.57 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.85 2d2m h HIS 108 CO -0.87 -0.31 0.00 1.19 -0.00 0.00 0.00 177.93 177.93 2d2m n PHE 109 N -4.83 0.85 0.09 2.45 3.01 -0.01 -1.60 117.46 117.43 2d2m n PHE 109 Ca 0.40 0.35 -0.15 0.00 1.01 0.00 0.00 57.45 59.05 2d2m n PHE 109 Cb 1.52 -1.06 -0.14 0.00 -0.01 0.00 0.00 39.48 39.79 2d2m n PHE 109 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2d2m h ASP 110 N 0.00 0.38 -0.26 4.37 3.32 0.11 0.14 116.42 124.48 2d2m h ASP 110 Ca 0.00 -0.42 -0.12 0.00 0.02 0.00 0.00 57.03 56.50 2d2m h ASP 110 Cb 0.33 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 2d2m h ASP 110 CO 0.00 1.34 -0.33 0.58 -1.72 0.00 0.00 179.24 179.11 2d2m h VAL 111 N 0.07 1.31 -0.19 -1.35 2.07 -1.44 -1.50 116.25 115.22 2d2m h VAL 111 Ca -0.14 -1.51 -0.06 0.00 0.82 0.00 0.00 66.70 65.80 2d2m h VAL 111 Cb 1.96 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 33.40 2d2m h VAL 111 CO 0.19 0.48 -0.14 -0.03 0.02 0.00 0.00 177.57 178.09 2d2m h MET 112 N 0.40 0.31 0.79 1.57 1.85 -1.32 0.86 114.93 119.39 2d2m h MET 112 Ca 0.03 -0.08 -0.04 0.00 -0.61 0.00 0.00 59.70 59.00 2d2m h MET 112 Cb 0.91 -0.04 0.01 0.00 0.43 0.00 0.00 31.60 32.91 2d2m h MET 112 CO 0.08 0.46 -0.38 0.00 -0.40 0.00 0.00 176.91 176.67 2d2m h ALA 113 N 1.57 -1.19 0.00 0.39 0.00 -0.33 -2.22 119.26 117.48 2d2m h ALA 113 Ca 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2d2m h ALA 113 Cb 0.43 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2d2m h ALA 113 CO 0.03 -1.11 -0.00 1.05 0.00 0.00 0.00 179.25 179.22 2d2m h GLU 114 N -1.15 0.00 0.79 0.00 4.11 -1.15 -1.39 114.58 115.79 2d2m h GLU 114 Ca -0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.28 2d2m h GLU 114 Cb 0.82 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.07 2d2m h GLU 114 CO 0.18 0.00 -0.38 0.00 0.07 0.00 0.00 179.01 178.88 2d2m h ALA 115 N 2.00 -1.06 -0.37 1.06 0.00 -0.50 -2.23 119.26 118.15 2d2m h ALA 115 Ca -0.00 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.70 2d2m h ALA 115 Cb 0.20 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2d2m h ALA 115 CO 0.00 -1.01 0.17 0.74 0.00 0.00 0.00 179.25 179.15 2d2m h PHE 116 N -1.23 0.32 -0.11 0.00 -1.00 -1.04 -1.04 116.94 112.84 2d2m h PHE 116 Ca -0.11 0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.72 2d2m h PHE 116 Cb 0.83 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 40.29 2d2m h PHE 116 CO -0.00 0.16 0.59 0.00 -1.61 0.00 0.00 178.31 177.45 2d2m h ALA 117 N 1.21 1.72 0.04 2.45 0.00 -1.17 0.18 119.26 123.68 2d2m h ALA 117 Ca 0.16 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.71 2d2m h ALA 117 Cb 0.09 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2d2m h ALA 117 CO -0.13 -0.65 -2.18 -1.91 0.00 0.00 0.00 179.25 174.39 2d2m n GLU 118 N -2.89 0.69 0.10 0.00 2.13 -0.43 -4.60 120.64 115.64 2d2m n GLU 118 Ca 0.01 0.18 -0.22 0.00 0.66 0.00 0.00 57.16 57.79 2d2m n GLU 118 Cb 0.66 -1.63 -0.15 0.00 0.27 0.00 0.00 31.44 30.59 2d2m n GLU 118 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2d2m h VAL 119 N 0.02 1.40 -0.50 6.31 2.07 -0.30 -3.39 116.25 121.85 2d2m h VAL 119 Ca -0.47 -2.61 0.10 0.00 0.82 0.00 0.00 66.70 64.53 2d2m h VAL 119 Cb 2.02 3.12 -0.10 0.00 -1.52 0.00 0.00 31.29 34.81 2d2m h VAL 119 CO 0.02 0.76 -0.27 0.24 0.02 0.00 0.00 177.57 178.34 2d2m h MET 120 N -0.11 -0.15 0.00 1.57 2.86 -1.39 0.13 114.93 117.85 2d2m h MET 120 Ca -0.20 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2d2m h MET 120 Cb 1.91 0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.60 2d2m h MET 120 CO 0.22 -0.10 0.17 -2.30 1.06 0.00 0.00 176.91 175.95 2d2m n PRO 121 N -5.42 0.08 0.00 -0.22 -0.02 -1.26 0.42 135.00 128.58 2d2m n PRO 121 Ca 0.04 0.53 0.11 0.00 -2.02 0.00 0.00 63.50 62.16 2d2m n PRO 121 Cb 0.33 -1.92 0.09 0.00 -0.02 0.00 0.00 33.50 31.98 2d2m n PRO 121 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2d2m n GLN 122 N -1.91 1.11 -0.01 -0.52 6.02 0.46 -4.54 117.38 118.00 2d2m n GLN 122 Ca -0.01 -0.87 -0.01 0.00 -0.01 0.00 0.00 57.00 56.10 2d2m n GLN 122 Cb 0.18 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.95 2d2m n GLN 122 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2d2m n VAL 123 N -0.19 0.12 -4.44 5.09 0.31 0.17 -5.02 118.33 114.37 2d2m n VAL 123 Ca 0.10 -0.05 -0.34 0.00 -0.01 0.00 0.00 64.34 64.04 2d2m n VAL 123 Cb 0.44 -0.66 -0.11 0.00 -0.91 0.00 0.00 33.84 32.59 2d2m n VAL 123 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2d2m s SER 124 N -3.96 4.91 0.43 4.52 1.04 -0.50 -4.23 113.70 115.91 2d2m s SER 124 Ca -0.02 -0.02 -0.22 0.00 0.48 0.00 0.00 55.95 56.16 2d2m s SER 124 Cb 0.01 -1.55 -0.09 0.00 0.10 0.00 0.00 66.02 64.48 2d2m s SER 124 CO 0.05 0.27 1.03 -0.94 0.98 0.00 0.00 173.24 174.64 2d2m s SER 125 N -0.27 6.62 -1.73 7.02 1.04 -1.26 -3.80 113.70 121.32 2d2m s SER 125 Ca 0.05 1.96 -0.19 0.00 0.48 0.00 0.00 55.95 58.25 2d2m s SER 125 Cb -0.13 -2.57 0.17 0.00 0.10 0.00 0.00 66.02 63.59 2d2m s SER 125 CO 0.02 -0.59 0.74 0.00 0.98 0.00 0.00 173.24 174.39 2d2m n PHE 127 N -4.33 2.81 -3.47 0.00 7.35 -1.25 -4.95 117.46 113.62 2d2m n PHE 127 Ca 0.07 0.40 -0.43 0.00 -0.76 0.00 0.00 57.45 56.73 2d2m n PHE 127 Cb 0.49 -2.53 -0.05 0.00 0.35 0.00 0.00 39.48 37.74 2d2m n PHE 127 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2d2m s SER 128 N 0.06 6.17 0.19 -2.13 1.04 -1.26 -4.97 113.70 112.80 2d2m s SER 128 Ca 0.58 -2.62 -0.24 0.00 0.48 0.00 0.00 55.95 54.15 2d2m s SER 128 Cb -0.50 -2.08 0.09 0.00 0.10 0.00 0.00 66.02 63.62 2d2m s SER 128 CO 0.58 -0.54 1.56 0.77 0.98 0.00 0.00 173.24 176.60 2d2m h SER 129 N 7.67 -1.52 -0.59 7.02 4.64 -1.99 -2.39 113.55 126.39 2d2m h SER 129 Ca 0.02 0.27 0.11 0.00 -0.47 0.00 0.00 61.79 61.72 2d2m h SER 129 Cb 1.02 0.72 -0.12 0.00 -0.31 0.00 0.00 62.40 63.72 2d2m h SER 129 CO 0.77 -0.31 -0.24 0.44 -0.87 0.00 0.00 176.83 176.62 2d2m h ASP 130 N -0.13 -0.84 -0.55 4.97 3.45 -1.98 0.32 116.42 121.65 2d2m h ASP 130 Ca 0.23 0.20 -0.05 0.00 0.43 0.00 0.00 57.03 57.84 2d2m h ASP 130 Cb 0.55 0.47 -0.03 0.00 -0.56 0.00 0.00 39.33 39.77 2d2m h ASP 130 CO -0.80 -0.26 0.17 0.28 -1.57 0.00 0.00 179.24 177.06 2d2m h SER 131 N -0.09 0.83 -0.36 6.45 0.02 -1.79 0.34 113.55 118.95 2d2m h SER 131 Ca 0.27 -0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 60.96 2d2m h SER 131 Cb 0.51 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2d2m h SER 131 CO -0.65 0.80 -0.20 -0.25 -1.14 0.00 0.00 176.83 175.38 2d2m h TRP 132 N 0.87 0.89 -0.31 3.45 2.91 -0.73 -1.15 115.95 121.89 2d2m h TRP 132 Ca 0.19 -0.23 -0.09 0.00 1.13 0.00 0.00 58.89 59.89 2d2m h TRP 132 Cb 0.28 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 28.71 2d2m h TRP 132 CO 0.02 0.98 -0.20 -0.91 -1.03 0.00 0.00 178.44 177.30 2d2m h ASN 133 N 0.56 0.58 -0.30 2.65 -0.26 -0.18 0.90 115.58 119.52 2d2m h ASN 133 Ca 0.08 -0.18 -0.08 0.00 -0.56 0.00 0.00 56.30 55.56 2d2m h ASN 133 Cb 0.76 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.85 2d2m h ASN 133 CO 0.06 0.78 -0.11 -0.09 -1.06 0.00 0.00 177.43 177.01 2d2m h ARG 134 N 0.52 0.61 0.06 0.81 9.65 -0.78 -3.09 114.38 122.16 2d2m h ARG 134 Ca 0.08 -0.25 -0.30 0.00 -1.10 0.00 0.00 59.98 58.41 2d2m h ARG 134 Cb 0.63 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.15 2d2m h ARG 134 CO 0.04 0.82 -1.64 0.00 2.80 0.00 0.00 179.97 181.99 2d2m h PHE 136 N 0.04 0.17 0.52 0.00 3.04 0.75 -1.62 116.94 119.84 2d2m h PHE 136 Ca -0.27 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.66 2d2m h PHE 136 Cb 2.00 -0.06 0.01 0.00 2.56 0.00 0.00 35.95 40.45 2d2m h PHE 136 CO 0.04 0.10 -0.25 0.00 -2.02 0.00 0.00 178.31 176.17 2d2m h ALA 137 N 1.86 -0.83 -0.66 2.41 0.00 -1.63 0.40 119.26 120.81 2d2m h ALA 137 Ca 0.11 -0.15 0.24 0.00 0.00 0.00 0.00 54.91 55.11 2d2m h ALA 137 Cb 0.23 0.27 -0.12 0.00 0.00 0.00 0.00 17.79 18.17 2d2m h ALA 137 CO -0.02 -0.78 0.21 -2.13 0.00 0.00 0.00 179.25 176.53 2d2m n ARG 138 N -4.66 -0.04 -0.04 0.00 3.00 -0.69 0.38 116.66 114.61 2d2m n ARG 138 Ca -0.09 0.94 -0.02 0.00 -0.00 0.00 0.00 57.85 58.68 2d2m n ARG 138 Cb 0.28 -1.60 -0.02 0.00 0.00 0.00 0.00 32.46 31.12 2d2m n ARG 138 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2d2m h ILE 139 N 0.00 0.19 -0.58 5.15 2.04 -1.25 -3.29 117.51 119.77 2d2m h ILE 139 Ca 0.49 -1.11 0.11 0.00 1.00 0.00 0.00 64.86 65.36 2d2m h ILE 139 Cb 1.20 0.35 -0.09 0.00 -0.74 0.00 0.00 36.82 37.55 2d2m h ILE 139 CO -0.55 0.06 0.06 0.00 0.00 0.00 0.00 178.15 177.72 2d2m h ALA 140 N -0.90 0.63 -0.79 1.87 0.00 0.15 -0.23 119.26 119.98 2d2m h ALA 140 Ca -0.00 0.15 0.17 0.00 0.00 0.00 0.00 54.91 55.22 2d2m h ALA 140 Cb 0.13 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 18.06 2d2m h ALA 140 CO 0.01 -0.35 0.30 -0.91 0.00 0.00 0.00 179.25 178.29 2d2m h ASN 141 N 0.18 0.23 -0.47 0.00 -0.26 -0.24 0.15 115.58 115.17 2d2m h ASN 141 Ca 0.30 0.13 -0.04 0.00 -0.56 0.00 0.00 56.30 56.14 2d2m h ASN 141 Cb 0.47 0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.83 2d2m h ASN 141 CO -0.44 0.05 0.18 1.23 -1.06 0.00 0.00 177.43 177.38 2d2m h GLY 142 N 0.40 0.83 0.68 2.83 0.00 -1.11 0.30 103.07 107.00 2d2m h GLY 142 Ca 0.45 -0.43 -0.16 0.00 0.00 0.00 0.00 47.33 47.19 2d2m h GLY 142 CO -0.46 0.41 -0.66 -2.22 0.00 0.00 0.00 176.54 173.61 2d2m h ILE 143 N 0.76 1.50 0.00 2.60 2.04 -0.76 -3.26 117.51 120.38 2d2m h ILE 143 Ca 0.18 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.72 2d2m h ILE 143 Cb 0.20 2.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.24 2d2m h ILE 143 CO -0.01 0.66 0.00 -1.54 0.00 0.00 0.00 178.15 177.26 2d2m n SER 144 N -4.21 0.00 -4.75 1.72 3.41 0.36 -4.31 113.62 105.84 2d2m n SER 144 Ca -0.12 0.22 -0.41 0.00 -0.26 0.00 0.00 58.87 58.30 2d2m n SER 144 Cb 0.73 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.27 2d2m n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d2m s ALA 145 N -2.78 3.57 -0.64 7.33 0.00 0.09 -1.72 121.76 127.61 2d2m s ALA 145 Ca 0.16 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.37 2d2m s ALA 145 Cb 0.14 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2d2m s ALA 145 CO 0.36 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.87 2d2m n GLY 146 N 1.94 0.75 0.23 0.00 0.00 -1.26 -4.93 105.19 101.92 2d2m n GLY 146 Ca 0.05 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.90 2d2m n GLY 146 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22