#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crr s SER 2 N 0.00 -0.31 -0.09 1.61 0.15 -1.26 -5.16 113.70 108.64 2crr s SER 2 Ca 0.00 0.42 0.04 0.00 0.70 0.00 0.00 55.95 57.11 2crr s SER 2 Cb 0.00 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.66 2crr s SER 2 CO 0.00 -0.24 -0.21 -0.55 1.20 0.00 0.00 173.24 173.44 2crr s SER 3 N -0.76 3.35 0.00 5.45 0.15 -1.26 -4.93 113.70 115.70 2crr s SER 3 Ca 0.01 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.20 2crr s SER 3 Cb -0.02 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.08 2crr s SER 3 CO -0.02 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2crr n GLY 4 N 3.22 0.69 3.25 9.45 0.00 -1.26 -5.16 105.19 115.38 2crr n GLY 4 Ca -0.18 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 2crr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crr s SER 5 N 0.00 2.33 -0.88 1.61 0.15 -1.26 -5.04 113.70 110.61 2crr s SER 5 Ca 0.00 -0.62 -0.19 0.00 0.70 0.00 0.00 55.95 55.84 2crr s SER 5 Cb 0.00 -0.14 -0.23 0.00 -1.71 0.00 0.00 66.02 63.94 2crr s SER 5 CO 0.00 0.06 2.35 -1.20 1.20 0.00 0.00 173.24 175.65 2crr n SER 6 N 1.35 0.19 0.05 5.45 7.64 -1.26 -4.24 113.62 122.80 2crr n SER 6 Ca -0.19 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 58.99 2crr n SER 6 Cb 0.54 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 2crr n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crr n GLY 7 N 6.10 -0.33 4.37 0.23 0.00 -1.26 -5.03 105.19 109.28 2crr n GLY 7 Ca 0.58 0.04 -0.39 0.00 0.00 0.00 0.00 46.02 46.25 2crr n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2crr n LYS 8 N -2.79 -1.99 -1.48 1.61 4.81 -1.26 -4.81 118.16 112.25 2crr n LYS 8 Ca 0.00 0.26 -0.28 0.00 -0.87 0.00 0.00 58.31 57.42 2crr n LYS 8 Cb 0.00 -4.86 0.08 0.00 0.02 0.00 0.00 35.03 30.27 2crr n LYS 8 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2crr n ALA 9 N -4.25 5.73 0.36 3.14 0.00 -1.26 -4.76 120.51 119.47 2crr n ALA 9 Ca 0.07 -3.50 -0.15 0.00 0.00 0.00 0.00 53.44 49.87 2crr n ALA 9 Cb 0.49 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.63 2crr n ALA 9 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2crr h GLN 10 N 1.89 -0.91 -0.98 0.00 7.50 -2.02 -2.87 115.11 117.72 2crr h GLN 10 Ca 0.51 0.06 0.20 0.00 0.50 0.00 0.00 58.65 59.92 2crr h GLN 10 Cb 1.26 0.21 -0.09 0.00 0.05 0.00 0.00 27.48 28.90 2crr h GLN 10 CO 1.21 -0.60 0.62 0.87 -1.50 0.00 0.00 178.83 179.42 2crr h LYS 11 N -0.94 0.61 -1.99 1.46 1.79 -2.01 -1.72 116.57 113.76 2crr h LYS 11 Ca -0.09 -0.04 -0.17 0.00 -2.18 0.00 0.00 60.65 58.17 2crr h LYS 11 Cb 0.73 -0.14 -0.06 0.00 -1.58 0.00 0.00 32.23 31.18 2crr h LYS 11 CO 0.14 0.40 -0.27 -0.11 -1.08 0.00 0.00 179.45 178.53 2crr n LEU 12 N -4.67 5.34 -1.85 2.94 7.94 -1.08 -4.29 117.00 121.33 2crr n LEU 12 Ca 0.22 -3.09 -0.21 0.00 -1.11 0.00 0.00 56.01 51.83 2crr n LEU 12 Cb 0.64 -1.35 0.07 0.00 0.53 0.00 0.00 43.42 43.31 2crr n LEU 12 CO 0.25 1.57 0.51 0.59 -1.11 0.00 0.00 177.39 179.20 2crr n ASN 13 N 2.21 4.84 -1.72 1.96 3.02 -0.65 -4.82 115.26 120.10 2crr n ASN 13 Ca 0.35 -3.78 -0.06 0.00 -0.03 0.00 0.00 54.58 51.07 2crr n ASN 13 Cb 0.82 -0.52 -0.07 0.00 -0.61 0.00 0.00 39.78 39.40 2crr n ASN 13 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2crr n GLU 14 N -0.84 1.44 -3.74 3.52 0.28 -1.26 -4.70 120.64 115.33 2crr n GLU 14 Ca 0.44 -0.47 -0.29 0.00 -0.16 0.00 0.00 57.16 56.69 2crr n GLU 14 Cb 0.90 -1.43 -0.16 0.00 1.43 0.00 0.00 31.44 32.18 2crr n GLU 14 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 2crr s GLN 15 N 0.34 0.73 0.01 3.44 2.00 -1.26 -5.03 119.66 119.89 2crr s GLN 15 Ca 0.28 -0.65 -0.25 0.00 -2.00 0.00 0.00 55.36 52.75 2crr s GLN 15 Cb 0.14 -2.08 -0.15 0.00 0.80 0.00 0.00 33.01 31.73 2crr s GLN 15 CO -0.00 -0.75 1.09 0.45 -0.50 0.00 0.00 175.29 175.58 2crr h HIS 16 N 8.19 -0.69 -0.67 1.67 3.86 -1.99 -2.97 115.15 122.55 2crr h HIS 16 Ca -0.16 -0.02 0.13 0.00 -1.16 0.00 0.00 60.37 59.16 2crr h HIS 16 Cb 1.08 0.23 -0.12 0.00 1.06 0.00 0.00 27.41 29.66 2crr h HIS 16 CO 0.32 -0.37 -0.19 1.04 0.86 0.00 0.00 177.93 179.59 2crr n GLN 17 N -5.30 -0.09 0.27 2.45 1.13 -1.26 0.81 117.38 115.39 2crr n GLN 17 Ca -0.11 1.04 -0.16 0.00 -1.94 0.00 0.00 57.00 55.83 2crr n GLN 17 Cb 0.33 -1.55 -0.08 0.00 0.11 0.00 0.00 30.24 29.04 2crr n GLN 17 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2crr h LEU 18 N 0.00 -0.53 -0.66 1.08 5.85 -1.99 -2.85 115.31 116.21 2crr h LEU 18 Ca 0.30 0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.08 2crr h LEU 18 Cb 0.46 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 41.53 2crr h LEU 18 CO -0.68 -0.35 -0.57 0.40 -0.34 0.00 0.00 178.44 176.89 2crr h ILE 19 N -0.66 0.00 -0.77 4.05 2.04 0.57 0.16 117.51 122.89 2crr h ILE 19 Ca -0.06 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.97 2crr h ILE 19 Cb 0.50 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.45 2crr h ILE 19 CO 0.11 0.00 0.03 -0.07 0.00 0.00 0.00 178.15 178.21 2crr h LEU 20 N -0.23 -0.31 -0.86 1.44 3.38 -1.29 0.29 115.31 117.74 2crr h LEU 20 Ca 0.11 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 2crr h LEU 20 Cb 0.52 0.34 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 2crr h LEU 20 CO -0.75 -0.18 0.43 -1.28 0.09 0.00 0.00 178.44 176.76 2crr h SER 21 N 0.11 1.10 -0.53 -0.43 0.87 -0.57 -2.20 113.55 111.90 2crr h SER 21 Ca 0.43 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.86 2crr h SER 21 Cb 0.77 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 2crr h SER 21 CO -0.67 0.91 0.33 0.11 -0.53 0.00 0.00 176.83 176.98 2crr h LYS 22 N 1.21 0.72 -0.19 2.24 1.57 0.20 -2.45 116.57 119.87 2crr h LYS 22 Ca 0.30 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 2crr h LYS 22 Cb 0.09 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2crr h LYS 22 CO -0.04 0.50 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.19 2crr h LEU 23 N 0.73 0.39 -0.98 2.94 3.38 -0.64 -3.11 115.31 118.03 2crr h LEU 23 Ca 0.19 -0.40 0.10 0.00 0.09 0.00 0.00 57.88 57.86 2crr h LEU 23 Cb -0.04 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.52 2crr h LEU 23 CO -0.04 0.71 0.62 -0.07 0.09 0.00 0.00 178.44 179.75 2crr h LEU 24 N 0.08 0.93 -1.67 1.67 3.38 -1.06 -0.55 115.31 118.08 2crr h LEU 24 Ca 0.04 0.04 0.28 0.00 0.09 0.00 0.00 57.88 58.33 2crr h LEU 24 Cb 0.56 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 2crr h LEU 24 CO 0.03 0.52 0.71 0.03 0.09 0.00 0.00 178.44 179.82 2crr h ARG 25 N 1.02 0.21 -6.64 1.13 3.08 -1.37 -2.69 114.38 109.11 2crr h ARG 25 Ca 0.47 -0.01 -0.52 0.00 0.07 0.00 0.00 59.98 59.98 2crr h ARG 25 Cb 0.39 -0.05 0.05 0.00 0.08 0.00 0.00 29.97 30.44 2crr h ARG 25 CO -0.24 0.14 0.88 -1.21 -1.07 0.00 0.00 179.97 178.46 2crr s GLU 26 N -5.24 4.21 0.60 0.04 0.41 -0.22 -4.77 118.70 113.74 2crr s GLU 26 Ca -0.07 2.39 0.28 0.00 -0.41 0.00 0.00 54.97 57.16 2crr s GLU 26 Cb 0.24 -3.13 1.29 0.00 -1.78 0.00 0.00 34.13 30.75 2crr s GLU 26 CO 0.79 -0.60 1.70 0.93 -0.49 0.00 0.00 175.26 177.59 2crr h GLU 27 N 6.47 0.00 -0.09 1.61 5.08 -1.87 0.92 114.58 126.71 2crr h GLU 27 Ca -0.43 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.77 2crr h GLU 27 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2crr h GLU 27 CO 0.90 0.00 -0.64 -0.44 -1.00 0.00 0.00 179.01 177.83 2crr h ASP 28 N 0.00 0.38 -0.21 1.42 5.19 -1.88 -3.20 116.42 118.12 2crr h ASP 28 Ca 0.28 -0.23 -0.08 0.00 -0.62 0.00 0.00 57.03 56.38 2crr h ASP 28 Cb 1.70 -0.11 -0.05 0.00 0.18 0.00 0.00 39.33 41.05 2crr h ASP 28 CO -0.00 0.92 -0.14 0.59 -3.12 0.00 0.00 179.24 177.49 2crr n ASN 29 N -3.87 2.57 0.06 6.45 4.13 0.29 -4.58 115.26 120.32 2crr n ASN 29 Ca -0.03 -3.55 -0.01 0.00 1.68 0.00 0.00 54.58 52.67 2crr n ASN 29 Cb 0.65 -0.57 -0.07 0.00 -1.54 0.00 0.00 39.78 38.25 2crr n ASN 29 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2crr h LYS 30 N 1.00 0.00 -5.29 3.52 1.57 -0.46 -3.38 116.57 113.53 2crr h LYS 30 Ca 0.10 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.49 2crr h LYS 30 Cb 1.39 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.51 2crr h LYS 30 CO 0.22 0.45 -0.75 0.71 -0.57 0.00 0.00 179.45 179.51 2crr s TYR 31 N -2.87 1.30 1.00 -1.35 1.51 -1.26 -3.55 117.35 112.12 2crr s TYR 31 Ca -0.01 -0.58 -0.18 0.00 -1.01 0.00 0.00 57.07 55.29 2crr s TYR 31 Cb 0.08 -0.69 -0.13 0.00 -0.11 0.00 0.00 41.96 41.12 2crr s TYR 31 CO 0.80 0.10 -0.76 0.00 -1.11 0.00 0.00 175.55 174.58 2crr n ALA 33 N -2.86 2.43 0.05 0.00 0.00 -1.10 -3.14 120.51 115.90 2crr n ALA 33 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.50 2crr n ALA 33 Cb 0.59 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.11 2crr n ALA 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2crr n ASP 34 N 1.26 0.16 -1.11 0.00 8.00 -1.26 -4.84 116.55 118.76 2crr n ASP 34 Ca 0.19 0.15 0.10 0.00 0.71 0.00 0.00 54.79 55.95 2crr n ASP 34 Cb 0.54 0.04 0.24 0.00 -0.02 0.00 0.00 41.12 41.93 2crr n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2crr n GLU 36 N 1.32 -2.38 -0.68 0.00 -0.58 -1.19 -4.82 120.64 112.32 2crr n GLU 36 Ca 0.19 0.14 -0.32 0.00 -0.42 0.00 0.00 57.16 56.76 2crr n GLU 36 Cb 0.56 -4.70 0.17 0.00 -0.57 0.00 0.00 31.44 26.90 2crr n GLU 36 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2crr n ALA 37 N -3.04 -3.08 -2.56 0.62 0.00 -1.26 -4.26 120.51 106.92 2crr n ALA 37 Ca 0.02 -0.97 -0.43 0.00 0.00 0.00 0.00 53.44 52.06 2crr n ALA 37 Cb 0.50 -1.77 -0.08 0.00 0.00 0.00 0.00 19.45 18.10 2crr n ALA 37 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2crr s LYS 38 N -3.80 3.07 0.00 0.00 2.36 -1.26 -2.41 119.74 117.70 2crr s LYS 38 Ca 0.60 -0.87 0.00 0.00 -2.55 0.00 0.00 55.97 53.14 2crr s LYS 38 Cb -0.18 -4.00 0.00 0.00 -1.05 0.00 0.00 37.83 32.59 2crr s LYS 38 CO 0.66 -0.91 0.00 0.41 1.55 0.00 0.00 175.35 177.06 2crr n GLY 39 N 5.13 0.91 3.58 5.54 0.00 -1.23 -4.97 105.19 114.15 2crr n GLY 39 Ca -0.08 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 2crr n GLY 39 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crr s PRO 40 N -2.34 2.50 0.00 1.61 0.04 -1.26 -4.83 135.00 130.72 2crr s PRO 40 Ca 0.00 -1.05 0.00 0.00 0.04 0.00 0.00 61.00 59.99 2crr s PRO 40 Cb 0.00 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.32 2crr s PRO 40 CO 0.00 -3.91 0.66 -2.13 0.04 0.00 0.00 177.00 171.66 2crr n ARG 41 N 8.36 0.00 -0.82 4.56 3.00 -1.26 -4.60 116.66 125.89 2crr n ARG 41 Ca 0.44 0.20 -0.35 0.00 -0.00 0.00 0.00 57.85 58.14 2crr n ARG 41 Cb 0.47 -1.16 0.11 0.00 0.00 0.00 0.00 32.46 31.87 2crr n ARG 41 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 2crr n TRP 42 N -1.04 -1.65 -3.59 -0.14 7.02 -1.19 -4.65 117.44 112.20 2crr n TRP 42 Ca 0.00 0.33 -0.02 0.00 -1.02 0.00 0.00 57.50 56.79 2crr n TRP 42 Cb 0.00 -1.50 -0.06 0.00 -2.42 0.00 0.00 31.31 27.33 2crr n TRP 42 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2crr s ALA 43 N -2.14 -2.26 -0.59 6.99 0.00 -1.22 -2.56 121.76 119.99 2crr s ALA 43 Ca 0.48 2.24 -0.25 0.00 0.00 0.00 0.00 51.96 54.43 2crr s ALA 43 Cb -0.05 -1.74 0.04 0.00 0.00 0.00 0.00 23.12 21.37 2crr s ALA 43 CO 0.67 -0.60 1.03 0.45 0.00 0.00 0.00 175.76 177.31 2crr s SER 44 N 1.93 6.32 0.01 0.00 0.15 0.34 -4.24 113.70 118.22 2crr s SER 44 Ca -0.07 -0.35 -0.25 0.00 0.70 0.00 0.00 55.95 55.98 2crr s SER 44 Cb -0.06 -2.47 -0.17 0.00 -1.71 0.00 0.00 66.02 61.61 2crr s SER 44 CO -0.17 -1.36 1.31 4.11 1.20 0.00 0.00 173.24 178.33 2crr h TRP 45 N 9.46 -0.30 -0.69 3.44 5.08 -1.82 0.44 115.95 131.55 2crr h TRP 45 Ca -0.26 -0.01 0.26 0.00 1.08 0.00 0.00 58.89 59.96 2crr h TRP 45 Cb 1.07 0.10 -0.13 0.00 -3.00 0.00 0.00 29.16 27.20 2crr h TRP 45 CO 0.96 0.02 0.27 -1.71 -1.28 0.00 0.00 178.44 176.70 2crr n ASN 46 N -5.10 0.15 -0.07 0.11 5.15 -1.26 0.18 115.26 114.42 2crr n ASN 46 Ca -0.09 1.16 -0.20 0.00 -0.60 0.00 0.00 54.58 54.85 2crr n ASN 46 Cb 0.24 -0.52 -0.13 0.00 -0.53 0.00 0.00 39.78 38.84 2crr n ASN 46 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 2crr n ILE 47 N -4.68 1.62 -0.24 -1.44 5.41 -1.17 -5.00 119.36 113.86 2crr n ILE 47 Ca 0.23 -0.58 0.00 0.00 1.00 0.00 0.00 62.75 63.40 2crr n ILE 47 Cb 0.79 -1.60 0.00 0.00 -0.71 0.00 0.00 39.64 38.12 2crr n ILE 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2crr n GLY 48 N 2.07 0.82 3.03 7.39 0.00 0.15 -4.83 105.19 113.81 2crr n GLY 48 Ca -0.40 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 2crr n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2crr s VAL 49 N -1.79 0.06 -0.29 1.61 -7.23 -0.77 -1.91 120.40 110.09 2crr s VAL 49 Ca 0.00 -0.53 -0.20 0.00 -1.81 0.00 0.00 61.98 59.44 2crr s VAL 49 Cb 0.00 -0.29 -0.01 0.00 0.56 0.00 0.00 36.38 36.64 2crr s VAL 49 CO 0.00 -0.29 0.63 -0.36 -0.31 0.00 0.00 175.10 174.77 2crr s PHE 50 N -0.94 3.24 0.15 2.82 0.08 -1.26 -0.50 117.98 121.56 2crr s PHE 50 Ca -0.10 0.67 0.08 0.00 0.12 0.00 0.00 56.93 57.70 2crr s PHE 50 Cb -0.06 -2.95 -0.04 0.00 -0.57 0.00 0.00 43.02 39.40 2crr s PHE 50 CO 0.00 -0.43 -0.19 0.96 -0.10 0.00 0.00 175.22 175.47 2crr s ILE 51 N 2.58 1.79 1.20 0.64 -4.36 -1.06 -2.70 121.20 119.30 2crr s ILE 51 Ca 0.26 -1.84 -0.20 0.00 -0.26 0.00 0.00 60.65 58.61 2crr s ILE 51 Cb -0.15 -1.78 0.30 0.00 1.25 0.00 0.00 42.46 42.07 2crr s ILE 51 CO 0.11 -0.27 1.16 0.00 0.24 0.00 0.00 174.94 176.18 2crr h ILE 53 N -2.57 1.33 0.04 0.00 6.09 -1.93 -2.48 117.51 117.99 2crr h ILE 53 Ca -0.42 -1.10 0.02 0.00 -1.37 0.00 0.00 64.86 61.99 2crr h ILE 53 Cb 1.26 1.87 -0.05 0.00 0.47 0.00 0.00 36.82 40.38 2crr h ILE 53 CO 0.28 0.31 -0.53 -0.09 -3.07 0.00 0.00 178.15 175.05 2crr h ARG 54 N -0.19 -0.67 -0.47 2.19 1.12 -2.01 -1.36 114.38 113.00 2crr h ARG 54 Ca 0.02 0.05 0.09 0.00 -1.11 0.00 0.00 59.98 59.02 2crr h ARG 54 Cb 0.51 0.15 -0.07 0.00 -0.01 0.00 0.00 29.97 30.55 2crr h ARG 54 CO 0.01 -0.44 0.03 0.00 -3.11 0.00 0.00 179.97 176.46 2crr h ALA 56 N 1.40 -0.09 -1.13 0.00 0.00 -0.90 0.68 119.26 119.21 2crr h ALA 56 Ca 0.24 0.13 0.38 0.00 0.00 0.00 0.00 54.91 55.65 2crr h ALA 56 Cb 0.34 0.68 -0.14 0.00 0.00 0.00 0.00 17.79 18.66 2crr h ALA 56 CO -0.36 -0.68 0.69 0.78 0.00 0.00 0.00 179.25 179.68 2crr h GLY 57 N -0.21 1.70 1.44 0.00 0.00 -0.64 0.61 103.07 105.98 2crr h GLY 57 Ca 0.19 -0.17 -0.26 0.00 0.00 0.00 0.00 47.33 47.09 2crr h GLY 57 CO -0.56 -0.46 -1.11 -2.22 0.00 0.00 0.00 176.54 172.18 2crr h ILE 58 N 0.19 1.37 -0.54 2.60 5.03 -0.91 -3.30 117.51 121.95 2crr h ILE 58 Ca 0.77 -2.56 0.03 0.00 -0.12 0.00 0.00 64.86 62.98 2crr h ILE 58 Cb 2.10 2.61 -0.04 0.00 -3.03 0.00 0.00 36.82 38.47 2crr h ILE 58 CO -0.52 0.77 0.31 0.45 -0.68 0.00 0.00 178.15 178.47 2crr h HIS 59 N 0.23 0.57 -0.57 1.37 3.86 0.11 -2.53 115.15 118.19 2crr h HIS 59 Ca -0.13 0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.21 2crr h HIS 59 Cb 1.78 -0.18 -0.09 0.00 1.06 0.00 0.00 27.41 29.98 2crr h HIS 59 CO 0.08 0.31 0.02 0.00 0.86 0.00 0.00 177.93 179.20 2crr h ARG 60 N 0.61 0.13 -0.55 2.45 3.08 -1.32 -1.33 114.38 117.44 2crr h ARG 60 Ca 0.23 -0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.38 2crr h ARG 60 Cb 0.07 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 29.99 2crr h ARG 60 CO -0.12 0.09 -0.13 -0.91 -1.07 0.00 0.00 179.97 177.83 2crr h ASN 61 N 0.13 -0.49 -0.72 7.04 2.35 -1.55 -1.80 115.58 120.55 2crr h ASN 61 Ca 0.30 0.16 0.12 0.00 -0.55 0.00 0.00 56.30 56.33 2crr h ASN 61 Cb 0.46 0.33 -0.12 0.00 0.05 0.00 0.00 38.32 39.05 2crr h ASN 61 CO -0.47 -0.18 -0.26 0.18 -1.65 0.00 0.00 177.43 175.05 2crr n LEU 62 N -5.38 -0.43 0.00 1.61 4.77 -0.50 -4.86 117.00 112.21 2crr n LEU 62 Ca 0.06 1.25 0.00 0.00 -0.03 0.00 0.00 56.01 57.29 2crr n LEU 62 Cb 0.29 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2crr n LEU 62 CO 0.09 -1.14 0.00 0.61 -1.33 0.00 0.00 177.39 175.62 2crr n GLY 63 N -1.36 4.28 0.37 -0.72 0.00 -0.68 -4.75 105.19 102.33 2crr n GLY 63 Ca 0.08 -1.28 0.17 0.00 0.00 0.00 0.00 46.02 44.99 2crr n GLY 63 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2crr h VAL 64 N 0.75 0.80 -0.03 1.61 -1.51 -1.79 0.19 116.25 116.26 2crr h VAL 64 Ca 0.00 -0.06 -0.08 0.00 -1.23 0.00 0.00 66.70 65.33 2crr h VAL 64 Cb 0.00 0.61 -0.01 0.00 -2.13 0.00 0.00 31.29 29.76 2crr h VAL 64 CO 0.00 0.03 -0.38 1.12 -1.23 0.00 0.00 177.57 177.12 2crr h HIS 65 N 0.17 0.08 0.00 5.19 -0.00 -1.97 -3.29 115.15 115.32 2crr h HIS 65 Ca 0.26 -0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.51 2crr h HIS 65 Cb 0.81 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.19 2crr h HIS 65 CO -0.00 0.44 -0.70 0.82 -0.00 0.00 0.00 177.93 178.48 2crr h ILE 66 N 0.06 0.69 -2.50 6.12 2.04 -1.06 -3.49 117.51 119.37 2crr h ILE 66 Ca 0.00 -1.74 -0.07 0.00 1.00 0.00 0.00 64.86 64.06 2crr h ILE 66 Cb 0.69 1.52 -0.18 0.00 -0.74 0.00 0.00 36.82 38.12 2crr h ILE 66 CO 0.05 0.23 0.06 -0.55 0.00 0.00 0.00 178.15 177.95 2crr s SER 67 N -6.29 -0.50 -0.14 1.72 0.15 0.30 -4.94 113.70 104.01 2crr s SER 67 Ca -0.20 0.38 0.02 0.00 0.70 0.00 0.00 55.95 56.85 2crr s SER 67 Cb 0.03 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.83 2crr s SER 67 CO 0.43 -0.65 -0.21 -0.13 1.20 0.00 0.00 173.24 173.88 2crr s ARG 68 N -1.82 3.05 -0.14 5.44 0.52 -1.26 -3.79 118.95 120.95 2crr s ARG 68 Ca -0.09 -0.84 -0.08 0.00 -0.52 0.00 0.00 55.73 54.20 2crr s ARG 68 Cb -0.01 -2.44 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 2crr s ARG 68 CO 0.03 0.01 0.15 0.08 0.02 0.00 0.00 175.30 175.59 2crr s VAL 69 N 0.76 5.47 -0.01 3.52 1.01 -1.26 -4.11 120.40 125.77 2crr s VAL 69 Ca -0.08 0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 2crr s VAL 69 Cb -0.16 -3.43 0.09 0.00 0.00 0.00 0.00 36.38 32.89 2crr s VAL 69 CO -0.01 0.57 0.81 -1.59 0.00 0.00 0.00 175.10 174.88 2crr s LYS 70 N -0.63 0.92 1.24 2.72 -2.85 -1.26 -5.04 119.74 114.83 2crr s LYS 70 Ca 0.13 -0.13 -0.18 0.00 -1.00 0.00 0.00 55.97 54.80 2crr s LYS 70 Cb -0.12 0.43 0.30 0.00 -2.06 0.00 0.00 37.83 36.38 2crr s LYS 70 CO 0.03 -0.36 1.03 0.45 0.10 0.00 0.00 175.35 176.60 2crr s SER 71 N -1.97 0.49 -0.20 0.03 0.15 -1.26 -3.36 113.70 107.57 2crr s SER 71 Ca -0.01 0.92 0.02 0.00 0.70 0.00 0.00 55.95 57.59 2crr s SER 71 Cb -0.01 -1.36 -0.14 0.00 -1.71 0.00 0.00 66.02 62.81 2crr s SER 71 CO -0.04 -4.42 -0.17 0.52 1.20 0.00 0.00 173.24 170.33 2crr n VAL 72 N -5.00 1.16 -0.12 4.45 0.31 -1.26 -4.43 118.33 113.44 2crr n VAL 72 Ca 0.10 -0.46 -0.24 0.00 -0.01 0.00 0.00 64.34 63.73 2crr n VAL 72 Cb 0.58 -1.19 -0.08 0.00 -0.91 0.00 0.00 33.84 32.24 2crr n VAL 72 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2crr n ASN 73 N -3.07 1.87 -0.22 4.52 5.15 -1.26 -4.56 115.26 117.68 2crr n ASN 73 Ca -0.36 0.32 0.03 0.00 -0.60 0.00 0.00 54.58 53.98 2crr n ASN 73 Cb 0.89 -0.76 0.14 0.00 -0.53 0.00 0.00 39.78 39.52 2crr n ASN 73 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2crr h LEU 74 N -0.95 -0.02-10.00 1.20 3.38 -2.00 -3.41 115.31 103.51 2crr h LEU 74 Ca -0.53 0.13 -0.54 0.00 0.09 0.00 0.00 57.88 57.04 2crr h LEU 74 Cb 1.45 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.36 2crr h LEU 74 CO -0.32 -0.03 -0.12 -1.81 0.09 0.00 0.00 178.44 176.25 2crr s ASP 75 N -5.27 6.59 0.09 -0.43 1.01 -1.26 -5.05 116.67 112.35 2crr s ASP 75 Ca -0.13 0.88 -0.15 0.00 0.71 0.00 0.00 52.55 53.86 2crr s ASP 75 Cb 0.20 -2.21 -0.06 0.00 1.01 0.00 0.00 42.92 41.85 2crr s ASP 75 CO 0.75 -0.10 0.51 -1.58 0.21 0.00 0.00 175.17 174.97 2crr s GLN 76 N -2.95 4.01 0.51 8.23 0.74 -1.26 -4.67 119.66 124.26 2crr s GLN 76 Ca 0.47 0.51 0.02 0.00 0.05 0.00 0.00 55.36 56.41 2crr s GLN 76 Cb -0.11 -3.08 -0.01 0.00 1.10 0.00 0.00 33.01 30.91 2crr s GLN 76 CO 0.23 0.57 0.06 -1.58 -0.55 0.00 0.00 175.29 174.02 2crr s TRP 77 N -1.29 1.89 0.04 1.67 0.52 -1.26 -5.13 118.94 115.38 2crr s TRP 77 Ca 0.32 -0.92 0.02 0.00 0.02 0.00 0.00 56.10 55.54 2crr s TRP 77 Cb -0.16 -1.67 -0.02 0.00 -1.15 0.00 0.00 33.47 30.47 2crr s TRP 77 CO 0.18 0.15 -0.07 0.95 0.02 0.00 0.00 176.95 178.19 2crr s THR 78 N -2.85 0.43 0.30 2.01 -4.23 -1.26 -5.03 115.64 105.01 2crr s THR 78 Ca 0.12 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 2crr s THR 78 Cb 0.02 -0.51 0.42 0.00 1.34 0.00 0.00 72.50 73.76 2crr s THR 78 CO 0.06 -0.41 1.57 0.00 -0.54 0.00 0.00 174.62 175.31 2crr h ALA 79 N 4.55 1.10 -0.43 3.99 0.00 -2.02 0.22 119.26 126.67 2crr h ALA 79 Ca -0.35 0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2crr h ALA 79 Cb 1.20 0.61 -0.08 0.00 0.00 0.00 0.00 17.79 19.52 2crr h ALA 79 CO 0.41 -0.54 -0.55 0.93 0.00 0.00 0.00 179.25 179.49 2crr h GLU 80 N 0.01 -0.36 -0.31 0.00 4.39 -2.00 0.25 114.58 116.56 2crr h GLU 80 Ca 0.58 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 60.24 2crr h GLU 80 Cb 1.16 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 2crr h GLU 80 CO -0.93 -0.24 -0.08 1.96 -1.16 0.00 0.00 179.01 178.57 2crr h GLN 81 N -0.37 0.60 -0.04 2.33 4.20 -1.35 -3.25 115.11 117.23 2crr h GLN 81 Ca 0.08 -0.23 0.01 0.00 0.06 0.00 0.00 58.65 58.57 2crr h GLN 81 Cb 0.58 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 2crr h GLN 81 CO -0.60 0.79 -0.31 0.82 -0.67 0.00 0.00 178.83 178.85 2crr h ILE 82 N 0.37 0.00 -0.96 2.54 1.08 0.09 -0.86 117.51 119.77 2crr h ILE 82 Ca 0.08 0.00 0.35 0.00 -0.39 0.00 0.00 64.86 64.89 2crr h ILE 82 Cb 0.57 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 34.14 2crr h ILE 82 CO 0.03 0.00 0.32 1.67 -0.69 0.00 0.00 178.15 179.48 2crr n GLN 83 N -4.19 -0.06 0.09 2.37 -0.06 0.80 0.46 117.38 116.79 2crr n GLN 83 Ca -0.04 1.37 -0.13 0.00 -2.00 0.00 0.00 57.00 56.20 2crr n GLN 83 Cb 0.22 -2.34 -0.08 0.00 -4.06 0.00 0.00 30.24 23.98 2crr n GLN 83 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2crr h MET 85 N -0.42 -0.01 0.28 0.00 2.86 0.12 0.57 114.93 118.33 2crr h MET 85 Ca -0.02 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2crr h MET 85 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2crr h MET 85 CO 0.03 -0.01 -0.14 1.96 1.06 0.00 0.00 176.91 179.82 2crr h GLN 86 N -0.01 -0.36 0.06 1.72 7.50 -1.47 0.18 115.11 122.73 2crr h GLN 86 Ca 0.33 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.51 2crr h GLN 86 Cb 0.58 0.08 -0.02 0.00 0.05 0.00 0.00 27.48 28.18 2crr h GLN 86 CO -0.97 -0.11 -0.24 -0.44 -1.50 0.00 0.00 178.83 175.57 2crr h ASP 87 N -0.57 -0.71 0.00 1.46 5.19 -0.26 -3.32 116.42 118.20 2crr h ASP 87 Ca -0.04 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2crr h ASP 87 Cb 0.42 0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.19 2crr h ASP 87 CO 0.06 -0.25 0.00 0.80 -3.12 0.00 0.00 179.24 176.73 2crr n MET 88 N -3.80 0.00 -0.46 3.56 1.56 0.18 -4.71 117.12 113.45 2crr n MET 88 Ca -0.04 0.31 0.06 0.00 -0.27 0.00 0.00 57.70 57.76 2crr n MET 88 Cb 0.19 -1.23 -0.02 0.00 2.15 0.00 0.00 33.22 34.31 2crr n MET 88 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2crr n GLY 89 N -0.35 -0.96 0.20 -5.12 0.00 0.64 -2.42 105.19 97.19 2crr n GLY 89 Ca 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 46.02 45.24 2crr n GLY 89 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2crr h ASN 90 N -0.43 0.30 0.00 1.61 4.21 -1.84 -2.52 115.58 116.91 2crr h ASN 90 Ca 0.01 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.39 2crr h ASN 90 Cb 0.42 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.54 2crr h ASN 90 CO 0.00 0.68 0.00 0.41 -1.29 0.00 0.00 177.43 177.24 2crr n THR 91 N -4.02 0.00 -0.32 2.81 -1.04 -1.25 -0.76 114.28 109.69 2crr n THR 91 Ca -0.02 1.40 -0.02 0.00 -2.04 0.00 0.00 64.05 63.37 2crr n THR 91 Cb 0.49 -2.14 0.10 0.00 -1.82 0.00 0.00 70.33 66.96 2crr n THR 91 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2crr h LYS 92 N 0.00 1.11 -1.01 -2.82 1.57 -1.58 -1.99 116.57 111.86 2crr h LYS 92 Ca 0.00 -0.07 0.23 0.00 -1.87 0.00 0.00 60.65 58.94 2crr h LYS 92 Cb 0.00 -0.25 -0.11 0.00 0.08 0.00 0.00 32.23 31.95 2crr h LYS 92 CO 0.00 0.74 0.62 0.00 -0.57 0.00 0.00 179.45 180.24 2crr h ALA 93 N 1.35 1.88 -0.01 3.86 0.00 -1.19 0.14 119.26 125.29 2crr h ALA 93 Ca 0.34 0.09 -0.19 0.00 0.00 0.00 0.00 54.91 55.15 2crr h ALA 93 Cb -0.06 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.73 2crr h ALA 93 CO -0.10 -0.30 -0.74 0.00 0.00 0.00 0.00 179.25 178.11 2crr h ARG 94 N 0.58 0.52 0.00 0.00 3.08 -0.22 0.27 114.38 118.62 2crr h ARG 94 Ca 0.61 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2crr h ARG 94 Cb 1.19 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.40 2crr h ARG 94 CO -0.39 1.18 0.00 1.28 -1.07 0.00 0.00 179.97 180.97 2crr n LEU 95 N -4.10 0.00 0.01 3.04 4.77 -0.20 -1.11 117.00 119.41 2crr n LEU 95 Ca -0.10 0.21 -0.02 0.00 -0.03 0.00 0.00 56.01 56.06 2crr n LEU 95 Cb 0.74 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 2crr n LEU 95 CO 0.50 -0.10 -0.16 -0.11 -1.33 0.00 0.00 177.39 176.18 2crr n LEU 96 N -1.21 1.15 -0.04 2.23 -0.00 0.31 -4.58 117.00 114.85 2crr n LEU 96 Ca 0.09 0.16 -0.14 0.00 -0.00 0.00 0.00 56.01 56.12 2crr n LEU 96 Cb 0.11 -0.41 -0.12 0.00 -0.00 0.00 0.00 43.42 43.00 2crr n LEU 96 CO 0.12 -0.60 0.45 1.88 -0.00 0.00 0.00 177.39 179.23 2crr h TYR 97 N -0.24 0.06 -0.24 1.96 0.05 -0.55 -2.82 116.97 115.19 2crr h TYR 97 Ca 0.00 -0.04 -0.15 0.00 0.05 0.00 0.00 58.73 58.60 2crr h TYR 97 Cb 0.24 -0.01 -0.07 0.00 1.01 0.00 0.00 36.73 37.90 2crr h TYR 97 CO -0.10 0.86 0.19 0.39 -1.05 0.00 0.00 178.16 178.44 2crr n GLU 98 N -4.64 1.36 -0.13 4.88 1.02 -0.27 -3.87 120.64 118.99 2crr n GLU 98 Ca -0.10 -0.77 -0.18 0.00 -0.02 0.00 0.00 57.16 56.10 2crr n GLU 98 Cb 0.43 -1.30 -0.12 0.00 -0.02 0.00 0.00 31.44 30.43 2crr n GLU 98 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2crr n ALA 99 N 0.55 1.45 0.84 0.62 0.00 -1.00 -4.33 120.51 118.63 2crr n ALA 99 Ca 0.15 -1.08 0.04 0.00 0.00 0.00 0.00 53.44 52.54 2crr n ALA 99 Cb 0.65 -0.08 0.13 0.00 0.00 0.00 0.00 19.45 20.15 2crr n ALA 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2crr n ASN 100 N -3.25 1.92 -4.80 0.00 3.02 -1.25 -4.90 115.26 106.00 2crr n ASN 100 Ca -0.45 -2.12 -0.35 0.00 -0.03 0.00 0.00 54.58 51.62 2crr n ASN 100 Cb 0.98 -0.32 -0.07 0.00 -0.61 0.00 0.00 39.78 39.76 2crr n ASN 100 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2crr s LEU 101 N -1.00 4.16 0.26 3.41 1.43 -1.26 -4.85 118.68 120.82 2crr s LEU 101 Ca 0.19 1.78 -0.30 0.00 -1.03 0.00 0.00 54.13 54.77 2crr s LEU 101 Cb 0.12 -4.25 -0.09 0.00 0.03 0.00 0.00 46.19 42.00 2crr s LEU 101 CO 0.10 -0.20 1.26 -2.16 0.23 0.00 0.00 176.35 175.58 2crr s PRO 102 N -2.55 4.43 0.35 1.29 0.04 -1.26 -4.90 135.00 132.40 2crr s PRO 102 Ca 0.55 2.05 0.16 0.00 0.04 0.00 0.00 61.00 63.80 2crr s PRO 102 Cb -0.14 -3.15 1.13 0.00 0.04 0.00 0.00 34.50 32.37 2crr s PRO 102 CO 0.19 -0.13 1.65 1.05 0.04 0.00 0.00 177.00 179.80 2crr h GLU 103 N 4.38 0.27 -1.10 4.56 4.11 -1.98 1.06 114.58 125.89 2crr h GLU 103 Ca -0.47 -0.02 -0.51 0.00 0.07 0.00 0.00 59.36 58.44 2crr h GLU 103 Cb 1.22 -0.06 -0.25 0.00 0.50 0.00 0.00 28.75 30.16 2crr h GLU 103 CO 0.71 0.18 0.65 0.09 0.07 0.00 0.00 179.01 180.71 2crr n ASN 104 N -5.08 5.75 -4.76 3.06 3.02 -1.26 -4.99 115.26 111.00 2crr n ASN 104 Ca 0.33 -3.46 -0.38 0.00 -0.03 0.00 0.00 54.58 51.04 2crr n ASN 104 Cb 1.03 -0.91 0.01 0.00 -0.61 0.00 0.00 39.78 39.30 2crr n ASN 104 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2crr s PHE 105 N -2.98 2.58 0.03 3.10 5.36 0.37 -5.04 117.98 121.41 2crr s PHE 105 Ca 0.51 1.43 0.05 0.00 -0.96 0.00 0.00 56.93 57.96 2crr s PHE 105 Cb 0.41 -3.64 -0.02 0.00 -0.34 0.00 0.00 43.02 39.43 2crr s PHE 105 CO 0.03 -2.29 -0.14 -0.98 -1.46 0.00 0.00 175.22 170.37 2crr s ARG 106 N -2.70 0.99 -0.05 10.12 3.03 -1.26 -5.04 118.95 124.03 2crr s ARG 106 Ca 0.66 -0.73 -0.24 0.00 2.03 0.00 0.00 55.73 57.45 2crr s ARG 106 Cb -0.36 -1.00 -0.04 0.00 -1.03 0.00 0.00 34.95 32.52 2crr s ARG 106 CO 0.44 0.25 0.71 1.03 -1.13 0.00 0.00 175.30 176.60 2crr s ARG 107 N -1.03 4.44 -0.52 3.89 0.52 -1.26 -5.00 118.95 119.99 2crr s ARG 107 Ca 0.02 0.91 -0.27 0.00 -0.52 0.00 0.00 55.73 55.87 2crr s ARG 107 Cb -0.08 -3.44 -0.02 0.00 0.52 0.00 0.00 34.95 31.94 2crr s ARG 107 CO 0.01 0.09 1.81 -1.25 0.02 0.00 0.00 175.30 175.97 2crr s PRO 108 N 0.71 2.90 0.45 3.54 0.04 -1.26 -4.84 135.00 136.53 2crr s PRO 108 Ca 0.38 0.86 0.25 0.00 0.04 0.00 0.00 61.00 62.52 2crr s PRO 108 Cb -0.18 -4.31 0.92 0.00 0.04 0.00 0.00 34.50 30.97 2crr s PRO 108 CO 0.19 -2.40 1.82 0.37 0.04 0.00 0.00 177.00 177.02 2crr h GLN 109 N 14.03 0.00 -6.00 4.56 -0.00 -1.98 -3.40 115.11 122.32 2crr h GLN 109 Ca -0.28 0.00 -0.56 0.00 -0.00 0.00 0.00 58.65 57.81 2crr h GLN 109 Cb 1.16 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 28.58 2crr h GLN 109 CO 1.16 0.20 0.06 0.95 0.00 0.00 0.00 178.83 181.20 2crr s THR 110 N -3.61 5.06 0.14 2.39 -4.23 -1.26 -4.98 115.64 109.15 2crr s THR 110 Ca 0.01 1.39 -0.24 0.00 -1.18 0.00 0.00 61.69 61.67 2crr s THR 110 Cb 0.10 -4.01 -0.01 0.00 1.34 0.00 0.00 72.50 69.91 2crr s THR 110 CO 0.63 0.26 1.64 -2.24 -0.54 0.00 0.00 174.62 174.37 2crr h ASP 111 N 6.73 -0.74 -1.00 3.99 3.04 -1.99 0.36 116.42 126.81 2crr h ASP 111 Ca -0.41 0.12 0.24 0.00 -3.24 0.00 0.00 57.03 53.74 2crr h ASP 111 Cb 1.20 0.33 -0.19 0.00 -1.04 0.00 0.00 39.33 39.63 2crr h ASP 111 CO 0.75 -0.29 -0.12 -0.61 -2.04 0.00 0.00 179.24 176.93 2crr h GLN 112 N -0.31 0.00 -0.01 4.15 -0.00 -1.96 0.13 115.11 117.10 2crr h GLN 112 Ca 0.10 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.73 2crr h GLN 112 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.94 2crr h GLN 112 CO -0.30 0.00 -0.06 0.00 0.00 0.00 0.00 178.83 178.47 2crr h ALA 113 N 2.00 0.03 -0.68 3.38 0.00 -1.73 -3.30 119.26 118.94 2crr h ALA 113 Ca 0.54 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2crr h ALA 113 Cb 0.99 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 2crr h ALA 113 CO -0.99 -0.10 -0.55 0.28 0.00 0.00 0.00 179.25 177.90 2crr h VAL 114 N -0.56 0.01 -0.82 0.00 2.07 0.13 0.26 116.25 117.35 2crr h VAL 114 Ca -0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 2crr h VAL 114 Cb 0.71 0.01 -0.14 0.00 -1.52 0.00 0.00 31.29 30.36 2crr h VAL 114 CO 0.01 0.00 -0.39 -0.08 0.02 0.00 0.00 177.57 177.13 2crr h GLU 115 N -0.21 -0.08 0.85 1.57 4.81 -1.23 -1.04 114.58 119.26 2crr h GLU 115 Ca 0.13 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2crr h GLU 115 Cb 0.52 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.93 2crr h GLU 115 CO -0.76 -0.05 -0.41 0.74 -0.73 0.00 0.00 179.01 177.80 2crr h PHE 116 N -0.08 -1.06 -0.80 0.92 0.04 -1.18 -2.36 116.94 112.42 2crr h PHE 116 Ca 0.28 -0.02 0.10 0.00 2.80 0.00 0.00 57.97 61.12 2crr h PHE 116 Cb 0.57 0.35 -0.11 0.00 2.20 0.00 0.00 35.95 38.96 2crr h PHE 116 CO -0.79 -0.65 -0.39 0.34 -0.60 0.00 0.00 178.31 176.22 2crr n PHE 117 N -5.55 -0.17 -0.35 -0.55 7.35 0.75 0.18 117.46 119.12 2crr n PHE 117 Ca -0.15 0.99 0.01 0.00 -0.76 0.00 0.00 57.45 57.55 2crr n PHE 117 Cb 0.46 -0.68 0.17 0.00 0.35 0.00 0.00 39.48 39.78 2crr n PHE 117 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2crr h ILE 118 N 0.00 1.15 0.60 -2.13 2.04 -1.20 0.60 117.51 118.57 2crr h ILE 118 Ca 0.20 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 2crr h ILE 118 Cb 0.40 -0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.33 2crr h ILE 118 CO -0.77 0.22 -0.29 0.03 0.00 0.00 0.00 178.15 177.34 2crr h ARG 119 N 1.20 -0.78 0.00 2.37 3.08 0.24 0.23 114.38 120.72 2crr h ARG 119 Ca 0.39 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.49 2crr h ARG 119 Cb 0.03 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2crr h ARG 119 CO -0.13 -0.47 0.00 -0.44 -1.07 0.00 0.00 179.97 177.87 2crr h ASP 120 N -1.00 0.00 0.16 7.04 3.32 -0.25 0.99 116.42 126.67 2crr h ASP 120 Ca -0.08 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.74 2crr h ASP 120 Cb 0.67 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.25 2crr h ASP 120 CO 0.14 0.00 -1.02 0.50 -1.72 0.00 0.00 179.24 177.14 2crr h LYS 121 N 0.00 0.34 0.00 3.56 3.64 0.44 -1.60 116.57 122.96 2crr h LYS 121 Ca 0.00 -0.59 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 2crr h LYS 121 Cb 0.39 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2crr h LYS 121 CO 0.00 1.28 -0.70 0.66 -2.27 0.00 0.00 179.45 178.42 2crr n TYR 122 N -4.02 0.00 -0.10 1.91 4.02 0.79 -3.51 117.16 116.24 2crr n TYR 122 Ca -0.16 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.60 2crr n TYR 122 Cb 0.89 -0.35 -0.09 0.00 -0.02 0.00 0.00 39.34 39.76 2crr n TYR 122 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2crr h GLU 123 N -0.70 -0.39 0.00 -0.72 4.81 0.83 -0.02 114.58 118.39 2crr h GLU 123 Ca 0.00 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2crr h GLU 123 Cb 0.70 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.17 2crr h GLU 123 CO 0.00 -0.26 -0.02 0.87 -0.73 0.00 0.00 179.01 178.86 2crr h LYS 124 N -0.41 0.00 -1.95 1.92 1.57 -1.18 -3.47 116.57 113.04 2crr h LYS 124 Ca 0.06 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.47 2crr h LYS 124 Cb 0.57 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.81 2crr h LYS 124 CO -0.52 0.02 -0.42 1.63 -0.57 0.00 0.00 179.45 179.59 2crr n LYS 125 N -3.11 -1.40 -0.01 3.15 4.76 -0.02 -4.91 118.16 116.62 2crr n LYS 125 Ca 0.02 0.99 -0.01 0.00 -2.87 0.00 0.00 58.31 56.45 2crr n LYS 125 Cb 0.44 -5.43 -0.01 0.00 -1.84 0.00 0.00 35.03 28.19 2crr n LYS 125 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2crr h LYS 126 N 0.00 -0.03 -1.73 1.97 1.57 -1.38 -0.72 116.57 116.25 2crr h LYS 126 Ca -0.42 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.29 2crr h LYS 126 Cb 1.28 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.56 2crr h LYS 126 CO 0.53 -0.02 0.09 0.66 -0.57 0.00 0.00 179.45 180.14 2crr n TYR 127 N -2.85 0.36 -3.57 -1.35 4.02 -1.26 -4.83 117.16 107.68 2crr n TYR 127 Ca -0.00 -1.13 -0.39 0.00 -0.01 0.00 0.00 57.90 56.37 2crr n TYR 127 Cb 0.03 -0.56 -0.11 0.00 -0.02 0.00 0.00 39.34 38.68 2crr n TYR 127 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 2crr s TYR 128 N -0.42 3.22 -0.51 -0.72 5.04 -0.28 -4.04 117.35 119.65 2crr s TYR 128 Ca 0.07 0.02 -0.21 0.00 -2.44 0.00 0.00 57.07 54.51 2crr s TYR 128 Cb 0.06 -2.42 0.05 0.00 0.35 0.00 0.00 41.96 40.00 2crr s TYR 128 CO 0.00 -0.23 0.73 0.34 -1.34 0.00 0.00 175.55 175.05 2crr s ASP 129 N 1.75 6.28 0.05 4.32 -1.08 -1.07 -4.90 116.67 122.03 2crr s ASP 129 Ca 0.07 -0.61 -0.08 0.00 -0.52 0.00 0.00 52.55 51.41 2crr s ASP 129 Cb -0.16 -2.34 -0.31 0.00 -1.46 0.00 0.00 42.92 38.65 2crr s ASP 129 CO 0.11 -0.97 1.07 0.07 0.52 0.00 0.00 175.17 175.96 2crr h LYS 130 N 9.07 0.36 -1.00 4.34 2.10 -1.97 -3.31 116.57 126.17 2crr h LYS 130 Ca -0.27 -0.61 0.17 0.00 -2.00 0.00 0.00 60.65 57.94 2crr h LYS 130 Cb 1.09 0.23 -0.10 0.00 -0.90 0.00 0.00 32.23 32.55 2crr h LYS 130 CO 0.99 1.29 0.62 -0.91 -2.00 0.00 0.00 179.45 179.43 2crr h ASN 131 N 0.10 0.81 0.23 7.07 4.21 -2.00 0.51 115.58 126.50 2crr h ASN 131 Ca -0.19 0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.41 2crr h ASN 131 Cb 2.04 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 39.18 2crr h ASN 131 CO 0.22 0.33 0.00 0.00 -1.29 0.00 0.00 177.43 176.69 2crr h ALA 132 N 1.62 1.00 -0.14 -0.83 0.00 -1.95 -3.25 119.26 115.70 2crr h ALA 132 Ca 0.55 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.78 2crr h ALA 132 Cb 0.81 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2crr h ALA 132 CO -0.34 0.00 3.55 -0.89 0.00 0.00 0.00 179.25 181.56 2crr n ILE 133 N -2.95 4.50 -1.75 0.00 2.08 0.18 -4.94 119.36 116.48 2crr n ILE 133 Ca -0.02 -2.96 -0.29 0.00 0.56 0.00 0.00 62.75 60.04 2crr n ILE 133 Cb 0.12 -2.51 0.12 0.00 -0.75 0.00 0.00 39.64 36.62 2crr n ILE 133 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2crr s ALA 134 N 1.50 2.25 -0.05 -1.39 0.00 -1.23 -5.08 121.76 117.76 2crr s ALA 134 Ca 0.66 -0.65 0.05 0.00 0.00 0.00 0.00 51.96 52.02 2crr s ALA 134 Cb 0.18 -2.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.32 2crr s ALA 134 CO -0.07 -2.00 -0.20 0.42 0.00 0.00 0.00 175.76 173.91 2crr s ILE 135 N -3.48 1.66 -0.06 0.00 1.09 -1.26 -5.13 121.20 114.02 2crr s ILE 135 Ca 0.64 -0.84 0.03 0.00 -1.10 0.00 0.00 60.65 59.38 2crr s ILE 135 Cb -0.12 -1.42 0.01 0.00 -1.06 0.00 0.00 42.46 39.86 2crr s ILE 135 CO 0.51 0.47 -0.15 -0.44 -0.10 0.00 0.00 174.94 175.24 2crr s SER 136 N 0.02 1.97 -0.04 3.58 0.01 -1.26 -5.14 113.70 112.84 2crr s SER 136 Ca -0.05 -0.33 0.07 0.00 1.31 0.00 0.00 55.95 56.95 2crr s SER 136 Cb -0.13 -0.75 -0.02 0.00 0.21 0.00 0.00 66.02 65.34 2crr s SER 136 CO 0.03 0.09 -0.26 -0.83 0.41 0.00 0.00 173.24 172.69 2crr s GLY 137 N 0.37 1.28 0.95 3.44 0.00 -1.26 -5.13 107.32 106.97 2crr s GLY 137 Ca -0.10 -1.08 -0.12 0.00 0.00 0.00 0.00 44.72 43.42 2crr s GLY 137 CO 0.03 -0.78 1.09 2.56 0.00 0.00 0.00 173.10 176.01 2crr s PRO 138 N -0.37 0.85 0.33 2.90 0.04 -1.26 -5.07 135.00 132.42 2crr s PRO 138 Ca 0.03 0.68 0.08 0.00 0.04 0.00 0.00 61.00 61.82 2crr s PRO 138 Cb -0.12 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 2crr s PRO 138 CO 0.01 -2.48 0.21 -1.12 0.04 0.00 0.00 177.00 173.66 2crr s SER 139 N -3.44 5.03 0.20 6.66 0.01 -1.26 -5.15 113.70 115.76 2crr s SER 139 Ca 0.64 -0.59 0.03 0.00 1.31 0.00 0.00 55.95 57.34 2crr s SER 139 Cb -0.18 -0.91 -0.05 0.00 0.21 0.00 0.00 66.02 65.09 2crr s SER 139 CO 0.57 -0.28 -0.00 -0.55 0.41 0.00 0.00 173.24 173.39 2crr s SER 140 N -3.90 1.50 0.00 2.44 0.15 -1.26 -5.37 113.70 107.25 2crr s SER 140 Ca 0.38 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.84 2crr s SER 140 Cb -0.05 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 2crr s SER 140 CO 0.24 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.76