#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 -0.48 -0.79 1.61 0.01 -1.26 -5.11 113.70 107.69 2crr s SER 2 Ca 0.00 -0.15 -0.18 0.00 1.31 0.00 0.00 55.95 56.93 2crr s SER 2 Cb 0.00 0.61 0.13 0.00 0.21 0.00 0.00 66.02 66.98 2crr s SER 2 CO 0.00 -1.03 0.92 -0.94 0.41 0.00 0.00 173.24 172.60 2crr s SER 3 N -2.79 6.48 -0.22 2.44 1.04 -1.26 -4.69 113.70 114.70 2crr s SER 3 Ca 0.03 -1.89 -0.02 0.00 0.48 0.00 0.00 55.95 54.56 2crr s SER 3 Cb -0.02 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.77 2crr s SER 3 CO -0.09 -1.02 0.06 0.61 0.98 0.00 0.00 173.24 173.77 2crr n GLY 4 N 5.12 -2.63 3.66 7.32 0.00 -1.26 -4.93 105.19 112.46 2crr n GLY 4 Ca 0.10 0.39 -0.39 0.00 0.00 0.00 0.00 46.02 46.11 2crr n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crr s SER 5 N -1.48 6.56 -0.08 1.61 1.04 -1.26 -5.04 113.70 115.04 2crr s SER 5 Ca 0.03 0.67 -0.29 0.00 0.48 0.00 0.00 55.95 56.84 2crr s SER 5 Cb -0.01 -2.30 0.07 0.00 0.10 0.00 0.00 66.02 63.89 2crr s SER 5 CO 0.54 -0.20 0.66 -0.55 0.98 0.00 0.00 173.24 174.67 2crr s SER 6 N 1.19 -0.64 -0.55 7.02 0.15 -1.26 -5.11 113.70 114.50 2crr s SER 6 Ca 0.24 0.79 0.04 0.00 0.70 0.00 0.00 55.95 57.73 2crr s SER 6 Cb -0.15 0.67 0.17 0.00 -1.71 0.00 0.00 66.02 64.99 2crr s SER 6 CO 0.10 -0.54 0.42 0.61 1.20 0.00 0.00 173.24 175.02 2crr n GLY 7 N 1.23 3.02 0.14 9.45 0.00 -1.26 -4.93 105.19 112.83 2crr n GLY 7 Ca -0.18 -1.90 -0.08 0.00 0.00 0.00 0.00 46.02 43.85 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 2.41 0.46 -3.54 1.61 3.00 -1.26 -5.02 118.16 115.82 2crr n LYS 8 Ca 0.25 0.18 -0.21 0.00 -0.00 0.00 0.00 58.31 58.54 2crr n LYS 8 Cb 0.42 -1.30 0.08 0.00 0.00 0.00 0.00 35.03 34.23 2crr n LYS 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2crr n ALA 9 N -4.24 -1.65 -0.19 3.14 0.00 -1.26 -4.91 120.51 111.39 2crr n ALA 9 Ca -0.12 0.17 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 2crr n ALA 9 Cb 0.45 -3.98 0.02 0.00 0.00 0.00 0.00 19.45 15.94 2crr n ALA 9 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2crr h GLN 10 N -2.30 0.80 0.00 0.00 4.15 -2.00 -2.19 115.11 113.56 2crr h GLN 10 Ca -0.58 -0.13 -0.31 0.00 0.77 0.00 0.00 58.65 58.41 2crr h GLN 10 Cb 1.36 -0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.85 2crr h GLN 10 CO 0.54 0.67 -2.17 0.36 -1.93 0.00 0.00 178.83 176.30 2crr n LYS 11 N -4.55 0.97 -0.25 1.69 0.00 -1.26 -4.51 118.16 110.25 2crr n LYS 11 Ca 0.03 0.05 -0.04 0.00 -0.00 0.00 0.00 58.31 58.35 2crr n LYS 11 Cb 0.13 -1.42 0.07 0.00 -0.00 0.00 0.00 35.03 33.81 2crr n LYS 11 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2crr h LEU 12 N 0.00 0.73 -0.75 -5.58 -0.00 -1.91 -2.75 115.31 105.04 2crr h LEU 12 Ca -0.46 -0.00 0.14 0.00 -0.00 0.00 0.00 57.88 57.56 2crr h LEU 12 Cb 1.89 -0.16 -0.14 0.00 -0.00 0.00 0.00 40.66 42.26 2crr h LEU 12 CO -0.02 0.51 -0.28 -1.13 -0.00 0.00 0.00 178.44 177.52 2crr h ASN 13 N 0.87 -1.02 -1.00 -0.43 -1.24 -1.62 0.46 115.58 111.60 2crr h ASN 13 Ca 0.28 0.25 0.19 0.00 0.71 0.00 0.00 56.30 57.72 2crr h ASN 13 Cb 0.00 0.57 -0.18 0.00 0.73 0.00 0.00 38.32 39.44 2crr h ASN 13 CO -0.10 -0.28 -0.29 -0.08 -1.29 0.00 0.00 177.43 175.38 2crr h GLU 14 N -0.06 -0.00 -3.89 6.67 4.22 -1.74 -3.09 114.58 116.68 2crr h GLU 14 Ca 0.32 0.00 -0.76 0.00 0.08 0.00 0.00 59.36 59.00 2crr h GLU 14 Cb 0.57 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.55 2crr h GLU 14 CO -0.79 -0.00 -0.09 -1.14 -2.18 0.00 0.00 179.01 174.80 2crr s GLN 15 N -6.16 3.19 0.02 1.92 0.74 0.15 -4.93 119.66 114.59 2crr s GLN 15 Ca -0.15 -2.27 -0.28 0.00 0.05 0.00 0.00 55.36 52.72 2crr s GLN 15 Cb 0.25 -4.23 -0.16 0.00 1.10 0.00 0.00 33.01 29.97 2crr s GLN 15 CO 0.76 -1.27 1.19 0.45 -0.55 0.00 0.00 175.29 175.87 2crr h HIS 16 N 7.92 -0.94 -0.20 1.67 3.86 -1.66 -3.10 115.15 122.70 2crr h HIS 16 Ca -0.02 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.18 2crr h HIS 16 Cb 1.04 0.31 -0.02 0.00 1.06 0.00 0.00 27.41 29.80 2crr h HIS 16 CO 0.88 -0.59 -0.12 1.04 0.86 0.00 0.00 177.93 180.01 2crr n GLN 17 N -5.35 -0.09 -0.29 2.45 1.13 -1.26 0.61 117.38 114.59 2crr n GLN 17 Ca -0.13 0.75 -0.01 0.00 -1.94 0.00 0.00 57.00 55.68 2crr n GLN 17 Cb 0.40 -1.12 0.06 0.00 0.11 0.00 0.00 30.24 29.68 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 -1.08 -0.08 1.08 5.85 -1.95 -1.43 115.31 117.70 2crr h LEU 18 Ca 0.03 0.26 0.02 0.00 0.84 0.00 0.00 57.88 59.03 2crr h LEU 18 Cb 0.08 0.60 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 2crr h LEU 18 CO -0.19 -0.29 -0.25 0.40 -0.34 0.00 0.00 178.44 177.77 2crr h ILE 19 N -0.05 0.00 -0.81 4.05 2.04 0.26 0.51 117.51 123.50 2crr h ILE 19 Ca 0.33 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.36 2crr h ILE 19 Cb 0.59 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.52 2crr h ILE 19 CO -0.84 0.00 -0.15 -0.07 0.00 0.00 0.00 178.15 177.09 2crr h LEU 20 N -0.26 -0.67 -0.98 1.44 3.38 -0.44 0.52 115.31 118.31 2crr h LEU 20 Ca 0.02 0.24 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2crr h LEU 20 Cb 0.31 0.47 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 2crr h LEU 20 CO -0.21 -0.26 0.30 -1.28 0.09 0.00 0.00 178.44 177.08 2crr h SER 21 N 0.02 0.94 -0.96 -0.43 0.87 -0.47 -2.49 113.55 111.04 2crr h SER 21 Ca 0.41 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2crr h SER 21 Cb 0.66 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 2crr h SER 21 CO -0.81 0.83 0.60 0.11 -0.53 0.00 0.00 176.83 177.02 2crr h LYS 22 N 1.02 1.28 0.06 2.24 1.57 0.50 -2.49 116.57 120.75 2crr h LYS 22 Ca 0.24 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2crr h LYS 22 Cb 0.16 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2crr h LYS 22 CO -0.02 0.88 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.64 2crr h LEU 23 N 1.31 -0.06 -0.66 2.94 3.38 -0.71 -3.00 115.31 118.51 2crr h LEU 23 Ca 0.35 -0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.31 2crr h LEU 23 Cb -0.09 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.58 2crr h LEU 23 CO -0.07 0.10 0.18 -0.07 0.09 0.00 0.00 178.44 178.66 2crr h LEU 24 N -0.22 0.07 -0.99 1.67 3.38 -1.26 -0.35 115.31 117.62 2crr h LEU 24 Ca -0.01 0.12 0.32 0.00 0.09 0.00 0.00 57.88 58.40 2crr h LEU 24 Cb 0.19 0.14 -0.15 0.00 0.09 0.00 0.00 40.66 40.93 2crr h LEU 24 CO 0.01 0.03 0.50 0.03 0.09 0.00 0.00 178.44 179.10 2crr h ARG 25 N 0.31 0.25 -6.67 1.13 3.08 -1.30 -2.74 114.38 108.44 2crr h ARG 25 Ca 0.35 -0.01 -0.52 0.00 0.07 0.00 0.00 59.98 59.86 2crr h ARG 25 Cb 0.54 -0.06 0.06 0.00 0.08 0.00 0.00 29.97 30.59 2crr h ARG 25 CO -0.42 0.16 0.92 -1.21 -1.07 0.00 0.00 179.97 178.36 2crr s GLU 26 N -5.69 4.17 0.49 0.04 0.41 -0.14 -4.74 118.70 113.24 2crr s GLU 26 Ca -0.10 2.48 0.33 0.00 -0.41 0.00 0.00 54.97 57.27 2crr s GLU 26 Cb 0.30 -3.10 1.44 0.00 -1.78 0.00 0.00 34.13 30.99 2crr s GLU 26 CO 0.79 -0.65 1.74 1.05 -0.49 0.00 0.00 175.26 177.69 2crr h GLU 27 N 6.38 0.11 -0.78 1.61 -0.00 -1.86 0.75 114.58 120.79 2crr h GLU 27 Ca -0.44 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 58.92 2crr h GLU 27 Cb 1.21 -0.03 -0.04 0.00 -0.00 0.00 0.00 28.75 29.89 2crr h GLU 27 CO 0.90 0.07 0.50 -0.44 -0.00 0.00 0.00 179.01 180.05 2crr h ASP 28 N 0.11 0.91 -0.23 3.06 3.32 -1.88 -2.57 116.42 119.15 2crr h ASP 28 Ca 0.65 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.59 2crr h ASP 28 Cb 2.29 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 41.57 2crr h ASP 28 CO -0.14 0.68 -0.09 0.59 -1.72 0.00 0.00 179.24 178.55 2crr n ASN 29 N -4.40 2.78 0.05 6.45 4.13 0.24 -4.59 115.26 119.91 2crr n ASN 29 Ca 0.08 -3.46 -0.08 0.00 1.68 0.00 0.00 54.58 52.81 2crr n ASN 29 Cb 0.04 -0.56 -0.12 0.00 -1.54 0.00 0.00 39.78 37.60 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 1.06 0.02 -5.54 3.52 1.57 -0.40 -3.38 116.57 113.42 2crr h LYS 30 Ca 0.09 -0.03 -0.53 0.00 -1.87 0.00 0.00 60.65 58.32 2crr h LYS 30 Cb 1.41 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.59 2crr h LYS 30 CO 0.23 0.93 -0.65 0.71 -0.57 0.00 0.00 179.45 180.10 2crr s TYR 31 N -2.69 2.10 1.10 -1.35 2.02 -1.26 -3.60 117.35 113.67 2crr s TYR 31 Ca -0.00 -0.71 -0.13 0.00 -0.37 0.00 0.00 57.07 55.85 2crr s TYR 31 Cb 0.09 -1.28 0.21 0.00 -0.40 0.00 0.00 41.96 40.58 2crr s TYR 31 CO 0.82 0.30 0.81 0.00 -1.57 0.00 0.00 175.55 175.92 2crr n ALA 33 N -4.63 3.84 -0.01 0.00 0.00 -1.19 -3.01 120.51 115.51 2crr n ALA 33 Ca 0.05 -0.59 -0.02 0.00 0.00 0.00 0.00 53.44 52.87 2crr n ALA 33 Cb 0.55 -0.84 -0.01 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.56 0.19 -0.68 0.00 9.92 -1.26 -4.78 116.55 119.38 2crr n ASP 34 Ca 0.08 0.03 0.06 0.00 -0.53 0.00 0.00 54.79 54.43 2crr n ASP 34 Cb 0.41 -0.07 0.17 0.00 -0.64 0.00 0.00 41.12 40.99 2crr n ASP 34 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2crr n GLU 36 N 0.33 -1.32 -0.73 0.00 -0.58 -1.16 -4.77 120.64 112.41 2crr n GLU 36 Ca 0.13 0.07 -0.32 0.00 -0.42 0.00 0.00 57.16 56.63 2crr n GLU 36 Cb 0.51 -3.58 0.15 0.00 -0.57 0.00 0.00 31.44 27.95 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 -2.83 -2.24 -2.68 0.62 0.00 -1.26 -4.13 120.51 107.99 2crr n ALA 37 Ca 0.06 -0.69 -0.43 0.00 0.00 0.00 0.00 53.44 52.38 2crr n ALA 37 Cb 0.36 -1.90 -0.06 0.00 0.00 0.00 0.00 19.45 17.85 2crr n ALA 37 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2crr s LYS 38 N -3.96 3.23 0.00 0.00 1.02 -1.26 -2.54 119.74 116.23 2crr s LYS 38 Ca 0.60 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 56.02 2crr s LYS 38 Cb -0.21 -4.05 0.00 0.00 -0.52 0.00 0.00 37.83 33.05 2crr s LYS 38 CO 0.64 -1.26 0.00 0.41 -0.92 0.00 0.00 175.35 174.22 2crr n GLY 39 N 5.12 0.86 3.58 -3.33 0.00 -1.24 -4.97 105.19 105.21 2crr n GLY 39 Ca -0.03 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.02 2.50 0.00 1.61 0.04 -1.26 -4.82 135.00 131.04 2crr s PRO 40 Ca 0.00 -1.16 0.00 0.00 0.04 0.00 0.00 61.00 59.88 2crr s PRO 40 Cb 0.00 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.30 2crr s PRO 40 CO 0.00 -3.98 0.62 -2.13 0.04 0.00 0.00 177.00 171.55 2crr n ARG 41 N 8.29 0.00 -0.89 4.56 3.00 -1.26 -4.56 116.66 125.79 2crr n ARG 41 Ca 0.45 0.17 -0.37 0.00 -0.00 0.00 0.00 57.85 58.10 2crr n ARG 41 Cb 0.47 -1.12 0.08 0.00 0.00 0.00 0.00 32.46 31.88 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 -0.93 -1.65 -3.64 -0.14 7.02 -1.18 -4.73 117.44 112.20 2crr n TRP 42 Ca 0.00 0.44 -0.08 0.00 -1.02 0.00 0.00 57.50 56.84 2crr n TRP 42 Cb 0.00 -1.45 -0.07 0.00 -2.42 0.00 0.00 31.31 27.37 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 -2.08 -1.99 -0.44 6.99 0.00 -1.25 -2.56 121.76 120.42 2crr s ALA 43 Ca 0.43 2.11 -0.21 0.00 0.00 0.00 0.00 51.96 54.29 2crr s ALA 43 Cb 0.01 -1.45 0.02 0.00 0.00 0.00 0.00 23.12 21.70 2crr s ALA 43 CO 0.67 -0.32 0.65 -1.12 0.00 0.00 0.00 175.76 175.65 2crr s SER 44 N 0.84 6.33 -0.01 0.00 0.01 0.81 -4.27 113.70 117.41 2crr s SER 44 Ca -0.03 -0.34 -0.23 0.00 1.31 0.00 0.00 55.95 56.66 2crr s SER 44 Cb -0.05 -2.32 -0.15 0.00 0.21 0.00 0.00 66.02 63.71 2crr s SER 44 CO -0.10 -0.79 1.07 4.11 0.41 0.00 0.00 173.24 177.94 2crr h TRP 45 N 8.89 -0.40 -0.89 2.43 5.08 -1.81 0.34 115.95 129.58 2crr h TRP 45 Ca -0.25 -0.01 0.24 0.00 1.08 0.00 0.00 58.89 59.95 2crr h TRP 45 Cb 1.09 0.13 -0.17 0.00 -3.00 0.00 0.00 29.16 27.22 2crr h TRP 45 CO 0.73 -0.06 -0.01 0.27 -1.28 0.00 0.00 178.44 178.10 2crr n ASN 46 N -5.11 -0.13 -0.03 0.11 0.23 -1.26 -0.66 115.26 108.42 2crr n ASN 46 Ca -0.09 1.52 -0.19 0.00 -0.53 0.00 0.00 54.58 55.29 2crr n ASN 46 Cb 0.27 -0.54 -0.13 0.00 -2.08 0.00 0.00 39.78 37.29 2crr n ASN 46 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2crr h ILE 47 N 0.00 1.40 0.00 1.53 2.04 -1.90 -3.48 117.51 117.10 2crr h ILE 47 Ca 0.53 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 64.01 2crr h ILE 47 Cb 1.07 3.00 0.00 0.00 -0.74 0.00 0.00 36.82 40.14 2crr h ILE 47 CO -0.85 0.61 0.00 0.61 0.00 0.00 0.00 178.15 178.52 2crr n GLY 48 N 1.63 0.98 3.17 5.37 0.00 0.11 -4.79 105.19 111.66 2crr n GLY 48 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.95 0.15 -0.25 1.61 -7.23 -0.76 -0.49 120.40 111.49 2crr s VAL 49 Ca 0.00 -1.27 -0.12 0.00 -1.81 0.00 0.00 61.98 58.77 2crr s VAL 49 Cb 0.00 -1.31 -0.05 0.00 0.56 0.00 0.00 36.38 35.59 2crr s VAL 49 CO 0.00 -0.70 0.25 -0.36 -0.31 0.00 0.00 175.10 173.98 2crr s PHE 50 N -3.68 3.28 0.23 2.82 0.40 -1.26 -0.14 117.98 119.64 2crr s PHE 50 Ca 0.04 0.29 0.09 0.00 -0.60 0.00 0.00 56.93 56.75 2crr s PHE 50 Cb 0.05 -2.41 -0.05 0.00 0.51 0.00 0.00 43.02 41.12 2crr s PHE 50 CO -0.10 -0.07 -0.16 0.96 0.70 0.00 0.00 175.22 176.55 2crr s ILE 51 N 1.52 1.96 0.96 0.64 -4.36 -1.06 -3.18 121.20 117.67 2crr s ILE 51 Ca 0.11 -2.27 -0.15 0.00 -0.26 0.00 0.00 60.65 58.08 2crr s ILE 51 Cb -0.15 -2.15 0.18 0.00 1.25 0.00 0.00 42.46 41.59 2crr s ILE 51 CO 0.08 -0.52 1.25 0.00 0.24 0.00 0.00 174.94 176.00 2crr h ILE 53 N -1.63 1.25 0.45 0.00 2.10 -1.93 -1.76 117.51 116.00 2crr h ILE 53 Ca -0.45 -0.94 -0.01 0.00 1.08 0.00 0.00 64.86 64.54 2crr h ILE 53 Cb 1.27 0.95 -0.02 0.00 -1.09 0.00 0.00 36.82 37.93 2crr h ILE 53 CO 0.45 0.33 -0.49 -0.09 -1.08 0.00 0.00 178.15 177.27 2crr h ARG 54 N 0.65 -0.91 -0.37 2.19 1.12 -2.01 -1.70 114.38 113.35 2crr h ARG 54 Ca 0.14 0.06 0.06 0.00 -1.11 0.00 0.00 59.98 59.13 2crr h ARG 54 Cb 0.41 0.21 -0.05 0.00 -0.01 0.00 0.00 29.97 30.53 2crr h ARG 54 CO 0.01 -0.61 0.07 0.00 -3.11 0.00 0.00 179.97 176.33 2crr h ALA 56 N 1.28 0.45 -0.80 0.00 0.00 -1.07 -0.14 119.26 118.98 2crr h ALA 56 Ca 0.18 0.25 0.19 0.00 0.00 0.00 0.00 54.91 55.53 2crr h ALA 56 Cb 0.21 0.49 -0.14 0.00 0.00 0.00 0.00 17.79 18.35 2crr h ALA 56 CO -0.23 -0.42 0.02 0.78 0.00 0.00 0.00 179.25 179.40 2crr h GLY 57 N 0.00 0.93 0.82 0.00 0.00 -0.75 -0.21 103.07 103.87 2crr h GLY 57 Ca 0.32 0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.71 2crr h GLY 57 CO -0.67 -0.32 -0.03 -2.22 0.00 0.00 0.00 176.54 173.30 2crr h ILE 58 N 0.10 1.27 -0.72 2.60 5.03 -1.08 -3.16 117.51 121.55 2crr h ILE 58 Ca 0.45 -0.97 0.14 0.00 -0.12 0.00 0.00 64.86 64.36 2crr h ILE 58 Cb 0.81 1.49 -0.14 0.00 -3.03 0.00 0.00 36.82 35.96 2crr h ILE 58 CO -0.70 0.30 -0.19 0.45 -0.68 0.00 0.00 178.15 177.33 2crr h HIS 59 N 0.13 -0.40 -0.68 1.37 3.86 -0.26 0.11 115.15 119.27 2crr h HIS 59 Ca 0.06 0.07 0.15 0.00 -1.16 0.00 0.00 60.37 59.48 2crr h HIS 59 Cb 0.46 0.29 -0.12 0.00 1.06 0.00 0.00 27.41 29.10 2crr h HIS 59 CO 0.04 -0.31 0.02 0.00 0.86 0.00 0.00 177.93 178.54 2crr h ARG 60 N -0.00 0.12 -0.13 2.45 3.08 -1.35 -1.08 114.38 117.47 2crr h ARG 60 Ca 0.34 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.43 2crr h ARG 60 Cb 0.53 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.50 2crr h ARG 60 CO -0.74 0.08 -0.18 -0.91 -1.07 0.00 0.00 179.97 177.15 2crr h ASN 61 N 0.12 -0.55 -0.61 7.04 2.35 -0.86 -2.66 115.58 120.42 2crr h ASN 61 Ca 0.36 0.10 0.09 0.00 -0.55 0.00 0.00 56.30 56.30 2crr h ASN 61 Cb 0.61 0.25 -0.09 0.00 0.05 0.00 0.00 38.32 39.14 2crr h ASN 61 CO -0.58 -0.23 -0.25 0.18 -1.65 0.00 0.00 177.43 174.90 2crr n LEU 62 N -5.32 -0.43 0.00 1.61 4.77 -0.41 -4.83 117.00 112.40 2crr n LEU 62 Ca -0.03 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 2crr n LEU 62 Cb 0.24 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2crr n LEU 62 CO 0.21 -0.94 0.00 0.61 -1.33 0.00 0.00 177.39 175.94 2crr n GLY 63 N -1.27 4.80 0.42 -0.72 0.00 -1.00 -4.77 105.19 102.65 2crr n GLY 63 Ca 0.06 -1.01 0.23 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 0.66 -0.18 1.61 -1.51 -1.78 0.24 116.25 115.29 2crr h VAL 64 Ca 0.00 -0.03 -0.16 0.00 -1.23 0.00 0.00 66.70 65.28 2crr h VAL 64 Cb 0.00 0.55 -0.01 0.00 -2.13 0.00 0.00 31.29 29.71 2crr h VAL 64 CO 0.00 0.02 -0.55 1.12 -1.23 0.00 0.00 177.57 176.93 2crr h HIS 65 N 0.10 0.66 0.03 5.19 -0.00 -1.97 -3.35 115.15 115.81 2crr h HIS 65 Ca 0.36 -0.23 -0.00 0.00 -0.00 0.00 0.00 60.37 60.50 2crr h HIS 65 Cb 1.29 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 28.57 2crr h HIS 65 CO -0.00 0.96 -0.01 0.82 -0.00 0.00 0.00 177.93 179.69 2crr h ILE 66 N 0.41 0.00 -2.13 6.12 2.04 -0.97 -3.49 117.51 119.49 2crr h ILE 66 Ca 0.01 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 2crr h ILE 66 Cb 1.08 0.00 -0.22 0.00 -0.74 0.00 0.00 36.82 36.95 2crr h ILE 66 CO 0.10 0.00 -0.00 -0.55 0.00 0.00 0.00 178.15 177.70 2crr s SER 67 N -5.47 -0.80 0.37 1.72 0.15 0.32 -4.92 113.70 105.08 2crr s SER 67 Ca -0.01 1.37 0.07 0.00 0.70 0.00 0.00 55.95 58.09 2crr s SER 67 Cb 0.00 1.30 -0.00 0.00 -1.71 0.00 0.00 66.02 65.61 2crr s SER 67 CO 0.02 -0.23 0.49 -0.13 1.20 0.00 0.00 173.24 174.58 2crr s ARG 68 N 1.14 2.93 -0.02 5.44 0.52 -1.26 -4.28 118.95 123.43 2crr s ARG 68 Ca -0.06 -1.16 0.00 0.00 -0.52 0.00 0.00 55.73 53.99 2crr s ARG 68 Cb -0.05 -2.74 0.02 0.00 0.52 0.00 0.00 34.95 32.70 2crr s ARG 68 CO -0.12 -0.09 0.00 0.08 0.02 0.00 0.00 175.30 175.20 2crr s VAL 69 N -2.28 0.11 -0.13 3.52 1.01 -1.26 -4.57 120.40 116.80 2crr s VAL 69 Ca 0.49 0.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.30 2crr s VAL 69 Cb -0.09 -0.18 0.06 0.00 0.00 0.00 0.00 36.38 36.17 2crr s VAL 69 CO 0.31 0.10 0.59 -1.59 0.00 0.00 0.00 175.10 174.51 2crr s LYS 70 N 0.71 0.84 0.89 2.72 -2.85 -1.26 -5.05 119.74 115.74 2crr s LYS 70 Ca -0.07 0.45 -0.13 0.00 -1.00 0.00 0.00 55.97 55.23 2crr s LYS 70 Cb -0.10 0.40 0.06 0.00 -2.06 0.00 0.00 37.83 36.13 2crr s LYS 70 CO -0.02 -0.19 0.70 0.43 0.10 0.00 0.00 175.35 176.37 2crr n SER 71 N 1.81 -1.00 -0.04 0.03 7.64 -1.26 -4.09 113.62 116.70 2crr n SER 71 Ca -0.17 0.42 -0.21 0.00 1.01 0.00 0.00 58.87 59.92 2crr n SER 71 Cb 0.56 -1.31 -0.13 0.00 -1.01 0.00 0.00 64.21 62.32 2crr n SER 71 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2crr h VAL 72 N -1.38 0.91 0.00 0.44 2.07 -1.85 -3.37 116.25 113.07 2crr h VAL 72 Ca -0.44 -2.29 -0.33 0.00 0.82 0.00 0.00 66.70 64.47 2crr h VAL 72 Cb 1.29 2.48 -0.05 0.00 -1.52 0.00 0.00 31.29 33.49 2crr h VAL 72 CO 0.38 0.58 -2.10 -0.46 0.02 0.00 0.00 177.57 175.99 2crr n ASN 73 N -4.05 1.61 -0.31 0.57 6.94 -1.26 -4.58 115.26 114.18 2crr n ASN 73 Ca -0.29 0.18 0.12 0.00 -0.02 0.00 0.00 54.58 54.57 2crr n ASN 73 Cb 0.83 -0.53 0.29 0.00 -2.36 0.00 0.00 39.78 38.01 2crr n ASN 73 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2crr h LEU 74 N -0.59 0.41-10.43 -4.53 3.38 -1.99 -3.41 115.31 98.15 2crr h LEU 74 Ca -0.49 0.14 -0.43 0.00 0.09 0.00 0.00 57.88 57.18 2crr h LEU 74 Cb 1.48 0.09 0.03 0.00 0.09 0.00 0.00 40.66 42.35 2crr h LEU 74 CO -0.26 0.07 -0.19 -1.81 0.09 0.00 0.00 178.44 176.34 2crr s ASP 75 N -5.25 5.61 0.50 -0.43 1.11 -1.26 -5.03 116.67 111.92 2crr s ASP 75 Ca -0.12 -0.18 -0.01 0.00 0.18 0.00 0.00 52.55 52.42 2crr s ASP 75 Cb 0.24 -0.91 0.01 0.00 1.07 0.00 0.00 42.92 43.33 2crr s ASP 75 CO 0.78 -0.82 0.74 -1.10 1.18 0.00 0.00 175.17 175.95 2crr s GLN 76 N -4.47 2.93 0.34 8.23 -1.52 -1.26 -4.75 119.66 119.16 2crr s GLN 76 Ca 0.53 -0.44 0.05 0.00 -1.95 0.00 0.00 55.36 53.55 2crr s GLN 76 Cb -0.10 -2.48 -0.02 0.00 -0.22 0.00 0.00 33.01 30.19 2crr s GLN 76 CO 0.35 -0.45 0.36 0.91 -0.25 0.00 0.00 175.29 176.20 2crr n TRP 77 N -2.24 -1.04 -3.77 0.91 7.02 -1.26 -5.02 117.44 112.04 2crr n TRP 77 Ca 0.03 -2.70 -0.13 0.00 -1.02 0.00 0.00 57.50 53.68 2crr n TRP 77 Cb 0.58 0.39 -0.09 0.00 -2.42 0.00 0.00 31.31 29.77 2crr n TRP 77 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2crr s THR 78 N -3.19 0.05 0.28 -0.99 -4.23 -1.26 -5.04 115.64 101.26 2crr s THR 78 Ca 0.37 -0.45 -0.07 0.00 -1.18 0.00 0.00 61.69 60.36 2crr s THR 78 Cb 0.01 -0.60 0.42 0.00 1.34 0.00 0.00 72.50 73.68 2crr s THR 78 CO 0.26 -0.25 1.57 0.00 -0.54 0.00 0.00 174.62 175.66 2crr h ALA 79 N 4.00 0.72 -0.91 3.99 0.00 -1.97 0.69 119.26 125.79 2crr h ALA 79 Ca -0.29 0.36 0.25 0.00 0.00 0.00 0.00 54.91 55.23 2crr h ALA 79 Cb 1.18 0.70 -0.14 0.00 0.00 0.00 0.00 17.79 19.52 2crr h ALA 79 CO 0.39 -0.42 0.31 1.49 0.00 0.00 0.00 179.25 181.02 2crr h GLU 80 N 0.00 0.23 0.07 0.00 4.57 -1.99 0.41 114.58 117.86 2crr h GLU 80 Ca 0.48 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.51 2crr h GLU 80 Cb 0.79 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 2crr h GLU 80 CO -0.96 0.15 -0.66 1.96 -1.18 0.00 0.00 179.01 178.32 2crr h GLN 81 N 0.23 0.14 0.20 1.92 4.20 -0.19 -3.29 115.11 118.32 2crr h GLN 81 Ca 0.59 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 59.06 2crr h GLN 81 Cb 1.23 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 29.06 2crr h GLN 81 CO -0.65 1.12 -0.50 0.82 -0.67 0.00 0.00 178.83 178.95 2crr h ILE 82 N -0.67 0.04 -0.93 2.54 1.08 0.43 -1.53 117.51 118.48 2crr h ILE 82 Ca -0.14 0.00 0.26 0.00 -0.39 0.00 0.00 64.86 64.59 2crr h ILE 82 Cb 1.39 0.04 -0.14 0.00 -3.07 0.00 0.00 36.82 35.04 2crr h ILE 82 CO 0.04 0.00 0.41 -0.61 -0.69 0.00 0.00 178.15 177.30 2crr h GLN 83 N -0.78 0.32 0.23 2.37 5.75 -0.41 0.16 115.11 122.75 2crr h GLN 83 Ca -0.01 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 2crr h GLN 83 Cb 0.77 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.25 2crr h GLN 83 CO -0.23 0.21 -0.11 0.00 -2.65 0.00 0.00 178.83 176.04 2crr n MET 85 N -5.23 -0.07 -0.02 0.00 2.81 0.04 0.01 117.12 114.65 2crr n MET 85 Ca -0.09 1.42 -0.15 0.00 -1.81 0.00 0.00 57.70 57.06 2crr n MET 85 Cb 0.15 -2.27 -0.11 0.00 -0.71 0.00 0.00 33.22 30.28 2crr n MET 85 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2crr h GLN 86 N 0.00 0.22 -0.79 0.03 7.50 -1.40 0.31 115.11 120.97 2crr h GLN 86 Ca 0.60 -0.22 0.18 0.00 0.50 0.00 0.00 58.65 59.70 2crr h GLN 86 Cb 1.27 0.06 -0.11 0.00 0.05 0.00 0.00 27.48 28.75 2crr h GLN 86 CO -0.88 0.93 0.26 -0.44 -1.50 0.00 0.00 178.83 177.20 2crr h ASP 87 N -0.40 0.15 0.00 1.46 3.32 0.86 -3.32 116.42 118.49 2crr h ASP 87 Ca -0.03 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2crr h ASP 87 Cb 1.02 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2crr h ASP 87 CO 0.06 -0.00 0.00 0.80 -1.72 0.00 0.00 179.24 178.38 2crr n MET 88 N -5.10 0.00 -1.17 3.56 1.56 0.46 -4.95 117.12 111.49 2crr n MET 88 Ca 0.17 0.09 0.16 0.00 -0.27 0.00 0.00 57.70 57.84 2crr n MET 88 Cb 0.51 -0.49 -0.04 0.00 2.15 0.00 0.00 33.22 35.35 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 1.83 -1.85 0.22 -5.12 0.00 0.11 -3.57 105.19 96.81 2crr n GLY 89 Ca 0.00 -1.22 -0.17 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.09 0.90 -0.39 1.61 4.21 -1.84 -2.82 115.58 116.17 2crr h ASN 90 Ca 0.01 -0.61 0.04 0.00 1.21 0.00 0.00 56.30 56.95 2crr h ASN 90 Cb 1.07 -0.26 -0.05 0.00 -1.12 0.00 0.00 38.32 37.96 2crr h ASN 90 CO 0.01 1.36 -0.24 0.74 -1.29 0.00 0.00 177.43 178.01 2crr h THR 91 N 0.50 0.00 0.04 2.81 2.02 -1.81 -0.51 112.91 115.96 2crr h THR 91 Ca -0.03 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 2crr h THR 91 Cb 1.31 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2crr h THR 91 CO 0.14 0.00 -0.02 0.11 0.37 0.00 0.00 175.52 176.12 2crr h LYS 92 N -0.01 -0.05 -0.86 6.66 1.57 -1.68 -2.91 116.57 119.30 2crr h LYS 92 Ca 0.06 0.00 0.32 0.00 -1.87 0.00 0.00 60.65 59.17 2crr h LYS 92 Cb 0.17 0.01 -0.16 0.00 0.08 0.00 0.00 32.23 32.34 2crr h LYS 92 CO -0.37 0.14 0.34 0.00 -0.57 0.00 0.00 179.45 178.99 2crr n ALA 93 N -2.21 0.75 -0.03 3.86 0.00 -0.75 0.11 120.51 122.23 2crr n ALA 93 Ca -0.08 0.88 -0.14 0.00 0.00 0.00 0.00 53.44 54.11 2crr n ALA 93 Cb 0.13 -0.81 -0.09 0.00 0.00 0.00 0.00 19.45 18.67 2crr n ALA 93 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2crr h ARG 94 N 0.00 0.21 0.00 0.00 2.43 -0.93 0.40 114.38 116.48 2crr h ARG 94 Ca 0.67 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 2crr h ARG 94 Cb 1.68 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.25 2crr h ARG 94 CO -0.70 0.76 0.00 1.28 -1.51 0.00 0.00 179.97 179.80 2crr n LEU 95 N -4.60 0.06 -0.03 3.80 4.77 0.29 -0.14 117.00 121.15 2crr n LEU 95 Ca -0.08 0.52 -0.04 0.00 -0.03 0.00 0.00 56.01 56.38 2crr n LEU 95 Cb 0.39 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 2crr n LEU 95 CO 0.38 -0.39 -0.26 -0.11 -1.33 0.00 0.00 177.39 175.68 2crr n LEU 96 N -1.57 0.92 -0.02 2.23 -0.00 0.10 -4.39 117.00 114.26 2crr n LEU 96 Ca 0.02 0.15 -0.15 0.00 -0.00 0.00 0.00 56.01 56.02 2crr n LEU 96 Cb 0.10 -0.51 -0.11 0.00 -0.00 0.00 0.00 43.42 42.91 2crr n LEU 96 CO 0.09 -0.45 0.38 1.88 -0.00 0.00 0.00 177.39 179.29 2crr h TYR 97 N -0.39 0.30 -0.23 1.96 0.05 -0.27 -2.93 116.97 115.47 2crr h TYR 97 Ca 0.00 -0.16 -0.12 0.00 0.05 0.00 0.00 58.73 58.50 2crr h TYR 97 Cb 0.39 -0.04 -0.07 0.00 1.01 0.00 0.00 36.73 38.02 2crr h TYR 97 CO -0.17 0.96 0.15 0.39 -1.05 0.00 0.00 178.16 178.44 2crr n GLU 98 N -4.47 1.29 -0.13 4.88 1.02 0.80 -3.79 120.64 120.23 2crr n GLU 98 Ca -0.10 -0.69 -0.19 0.00 -0.02 0.00 0.00 57.16 56.16 2crr n GLU 98 Cb 0.52 -1.27 -0.12 0.00 -0.02 0.00 0.00 31.44 30.55 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 0.17 1.40 1.13 0.62 0.00 -0.80 -4.30 120.51 118.72 2crr n ALA 99 Ca 0.14 -1.09 0.01 0.00 0.00 0.00 0.00 53.44 52.50 2crr n ALA 99 Cb 0.76 -0.09 0.05 0.00 0.00 0.00 0.00 19.45 20.16 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 -3.37 1.17 -4.79 0.00 3.02 -1.25 -4.86 115.26 105.18 2crr n ASN 100 Ca -0.46 -2.07 -0.38 0.00 -0.03 0.00 0.00 54.58 51.64 2crr n ASN 100 Cb 0.98 -0.35 -0.06 0.00 -0.61 0.00 0.00 39.78 39.74 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 -0.60 4.44 0.32 3.41 1.43 -1.26 -4.80 118.68 121.61 2crr s LEU 101 Ca 0.07 1.69 -0.29 0.00 -1.03 0.00 0.00 54.13 54.57 2crr s LEU 101 Cb 0.04 -3.68 -0.10 0.00 0.03 0.00 0.00 46.19 42.49 2crr s LEU 101 CO 0.03 0.05 1.22 -2.16 0.23 0.00 0.00 176.35 175.73 2crr s PRO 102 N -1.71 4.44 0.34 1.29 0.04 -1.26 -4.91 135.00 133.24 2crr s PRO 102 Ca 0.44 2.05 0.15 0.00 0.04 0.00 0.00 61.00 63.68 2crr s PRO 102 Cb -0.20 -3.09 1.11 0.00 0.04 0.00 0.00 34.50 32.35 2crr s PRO 102 CO 0.25 -0.05 1.66 1.05 0.04 0.00 0.00 177.00 179.95 2crr h GLU 103 N 3.50 0.30 -0.99 4.56 4.11 -1.98 0.73 114.58 124.82 2crr h GLU 103 Ca -0.48 -0.02 -0.66 0.00 0.07 0.00 0.00 59.36 58.27 2crr h GLU 103 Cb 1.22 -0.07 -0.30 0.00 0.50 0.00 0.00 28.75 30.11 2crr h GLU 103 CO 0.66 0.20 0.79 0.27 0.07 0.00 0.00 179.01 181.00 2crr n ASN 104 N -5.06 7.34 -4.77 3.06 0.23 -1.26 -5.01 115.26 109.80 2crr n ASN 104 Ca 0.32 -3.78 -0.40 0.00 -0.53 0.00 0.00 54.58 50.20 2crr n ASN 104 Cb 1.00 -0.94 -0.00 0.00 -2.08 0.00 0.00 39.78 37.76 2crr n ASN 104 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 2crr s PHE 105 N -3.79 2.73 -0.21 -2.53 5.36 0.25 -5.01 117.98 114.79 2crr s PHE 105 Ca 0.64 1.34 -0.04 0.00 -0.96 0.00 0.00 56.93 57.91 2crr s PHE 105 Cb 0.50 -3.78 -0.01 0.00 -0.34 0.00 0.00 43.02 39.39 2crr s PHE 105 CO -0.00 -2.39 -0.04 1.03 -1.46 0.00 0.00 175.22 172.36 2crr s ARG 106 N -2.21 3.42 -0.03 10.12 0.52 -1.26 -5.04 118.95 124.47 2crr s ARG 106 Ca 0.56 -0.61 -0.27 0.00 -0.52 0.00 0.00 55.73 54.89 2crr s ARG 106 Cb -0.41 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 2crr s ARG 106 CO 0.53 -0.13 0.85 0.50 0.02 0.00 0.00 175.30 177.07 2crr s ARG 107 N 1.30 4.50 0.26 3.54 3.52 -1.26 -5.03 118.95 125.79 2crr s ARG 107 Ca 0.04 1.17 -0.30 0.00 -0.13 0.00 0.00 55.73 56.51 2crr s ARG 107 Cb -0.14 -3.45 -0.09 0.00 -1.56 0.00 0.00 34.95 29.70 2crr s ARG 107 CO -0.02 0.01 1.26 -1.25 -0.81 0.00 0.00 175.30 174.49 2crr s PRO 108 N 0.90 4.43 -0.24 5.12 0.04 -1.26 -4.96 135.00 139.04 2crr s PRO 108 Ca 0.45 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.55 2crr s PRO 108 Cb -0.19 -3.15 -0.15 0.00 0.04 0.00 0.00 34.50 31.04 2crr s PRO 108 CO 0.23 -0.13 -0.21 1.04 0.04 0.00 0.00 177.00 177.97 2crr n GLN 109 N 1.71 0.59 -2.98 4.56 1.13 -1.26 -4.76 117.38 116.37 2crr n GLN 109 Ca 0.02 0.14 -0.29 0.00 -1.94 0.00 0.00 57.00 54.94 2crr n GLN 109 Cb 0.43 -1.47 -0.02 0.00 0.11 0.00 0.00 30.24 29.29 2crr n GLN 109 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2crr s THR 110 N -2.47 4.90 0.09 5.09 -4.23 -1.26 -4.95 115.64 112.82 2crr s THR 110 Ca -0.32 0.31 -0.24 0.00 -1.18 0.00 0.00 61.69 60.26 2crr s THR 110 Cb 0.08 -3.77 -0.13 0.00 1.34 0.00 0.00 72.50 70.02 2crr s THR 110 CO 0.54 -0.53 1.72 0.44 -0.54 0.00 0.00 174.62 176.24 2crr h ASP 111 N 1.14 -0.15 -0.79 3.99 3.32 -1.98 -1.66 116.42 120.29 2crr h ASP 111 Ca -0.47 0.02 0.33 0.00 0.02 0.00 0.00 57.03 56.92 2crr h ASP 111 Cb 1.19 0.05 -0.14 0.00 0.22 0.00 0.00 39.33 40.66 2crr h ASP 111 CO 0.64 -0.09 0.42 0.00 -1.72 0.00 0.00 179.24 178.49 2crr n GLN 112 N -5.17 -0.05 -0.06 3.56 10.64 -1.26 -0.10 117.38 124.95 2crr n GLN 112 Ca -0.07 1.08 -0.03 0.00 -1.83 0.00 0.00 57.00 56.15 2crr n GLN 112 Cb 0.10 -1.95 -0.01 0.00 -0.86 0.00 0.00 30.24 27.52 2crr n GLN 112 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2crr h ALA 113 N 1.57 0.01 -0.88 2.61 0.00 -1.86 -3.35 119.26 117.35 2crr h ALA 113 Ca 0.67 -0.29 0.15 0.00 0.00 0.00 0.00 54.91 55.44 2crr h ALA 113 Cb 1.76 0.27 -0.15 0.00 0.00 0.00 0.00 17.79 19.67 2crr h ALA 113 CO -0.61 0.27 -0.33 0.28 0.00 0.00 0.00 179.25 178.87 2crr h VAL 114 N -1.00 0.06 -0.73 0.00 2.07 -0.13 0.24 116.25 116.77 2crr h VAL 114 Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 2crr h VAL 114 Cb 0.31 0.06 -0.13 0.00 -1.52 0.00 0.00 31.29 30.01 2crr h VAL 114 CO -0.00 0.00 -0.29 -0.08 0.02 0.00 0.00 177.57 177.21 2crr h GLU 115 N -0.04 -0.07 -0.04 1.57 4.22 -0.69 -0.89 114.58 118.63 2crr h GLU 115 Ca 0.35 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.78 2crr h GLU 115 Cb 0.61 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2crr h GLU 115 CO -0.91 -0.05 -0.02 0.74 -2.18 0.00 0.00 179.01 176.59 2crr h PHE 116 N -0.08 0.11 -0.91 0.92 0.04 -0.86 -2.30 116.94 113.86 2crr h PHE 116 Ca 0.30 -0.03 0.17 0.00 2.80 0.00 0.00 57.97 61.22 2crr h PHE 116 Cb 0.57 -0.02 -0.16 0.00 2.20 0.00 0.00 35.95 38.53 2crr h PHE 116 CO -0.67 0.47 -0.29 0.35 -0.60 0.00 0.00 178.31 177.57 2crr h PHE 117 N -0.29 -0.73 -0.34 -0.55 3.57 0.58 0.63 116.94 119.80 2crr h PHE 117 Ca 0.01 0.09 -0.14 0.00 3.53 0.00 0.00 57.97 61.46 2crr h PHE 117 Cb 0.45 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 2crr h PHE 117 CO 0.07 -0.40 -0.35 0.82 -2.23 0.00 0.00 178.31 176.22 2crr h ILE 118 N -0.02 1.28 0.00 1.41 2.04 -1.23 1.07 117.51 122.07 2crr h ILE 118 Ca 0.39 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.74 2crr h ILE 118 Cb 0.64 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2crr h ILE 118 CO -0.94 0.50 0.00 0.54 0.00 0.00 0.00 178.15 178.25 2crr n ARG 119 N -4.06 0.19 -0.00 2.37 1.74 0.15 -1.37 116.66 115.68 2crr n ARG 119 Ca -0.01 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 2crr n ARG 119 Cb 0.51 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.45 2crr n ARG 119 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2crr n ASP 120 N -1.34 5.00 -0.04 0.55 8.00 0.17 -3.00 116.55 125.89 2crr n ASP 120 Ca 0.07 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.38 2crr n ASP 120 Cb 0.16 0.82 -0.13 0.00 -0.02 0.00 0.00 41.12 41.95 2crr n ASP 120 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2crr h LYS 121 N 0.00 0.12 0.00 -1.24 3.64 0.13 -1.09 116.57 118.13 2crr h LYS 121 Ca -0.00 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2crr h LYS 121 Cb 0.36 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2crr h LYS 121 CO 0.00 1.10 -0.64 0.66 -2.27 0.00 0.00 179.45 178.30 2crr n TYR 122 N -4.27 0.31 -0.03 1.91 4.01 -0.47 -2.88 117.16 115.74 2crr n TYR 122 Ca -0.21 0.13 -0.11 0.00 -0.16 0.00 0.00 57.90 57.55 2crr n TYR 122 Cb 0.72 -0.51 -0.07 0.00 -0.31 0.00 0.00 39.34 39.16 2crr n TYR 122 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2crr h GLU 123 N -0.80 -0.39 0.00 -0.72 4.81 -1.68 -1.38 114.58 114.42 2crr h GLU 123 Ca 0.00 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 2crr h GLU 123 Cb 0.64 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 2crr h GLU 123 CO 0.00 -0.26 -0.24 0.87 -0.73 0.00 0.00 179.01 178.66 2crr h LYS 124 N -0.40 0.00 -1.81 1.92 1.57 -1.66 -3.47 116.57 112.72 2crr h LYS 124 Ca 0.03 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.50 2crr h LYS 124 Cb 0.49 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 2crr h LYS 124 CO -0.34 0.24 -0.37 1.63 -0.57 0.00 0.00 179.45 180.03 2crr n LYS 125 N -3.31 -1.20 -0.04 3.15 4.76 -0.52 -4.92 118.16 116.08 2crr n LYS 125 Ca 0.01 0.84 -0.08 0.00 -2.87 0.00 0.00 58.31 56.21 2crr n LYS 125 Cb 0.49 -5.15 -0.05 0.00 -1.84 0.00 0.00 35.03 28.48 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 -0.24 -1.41 1.97 1.57 -1.23 -0.50 116.57 116.72 2crr h LYS 126 Ca -0.36 0.02 -0.27 0.00 -1.87 0.00 0.00 60.65 58.18 2crr h LYS 126 Cb 1.20 0.06 -0.12 0.00 0.08 0.00 0.00 32.23 33.44 2crr h LYS 126 CO 0.45 -0.16 0.34 0.66 -0.57 0.00 0.00 179.45 180.16 2crr n TYR 127 N -4.08 1.34 -3.41 -1.35 4.02 -1.26 -4.87 117.16 107.54 2crr n TYR 127 Ca -0.02 -1.63 -0.40 0.00 -0.01 0.00 0.00 57.90 55.84 2crr n TYR 127 Cb 0.19 -0.80 -0.09 0.00 -0.02 0.00 0.00 39.34 38.62 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 -1.54 3.23 -0.52 -0.72 5.04 -0.20 -3.90 117.35 118.74 2crr s TYR 128 Ca 0.26 0.20 -0.18 0.00 -2.44 0.00 0.00 57.07 54.92 2crr s TYR 128 Cb 0.21 -2.60 0.08 0.00 0.35 0.00 0.00 41.96 40.00 2crr s TYR 128 CO 0.01 -0.31 0.57 0.34 -1.34 0.00 0.00 175.55 174.82 2crr s ASP 129 N 1.70 6.19 0.03 4.32 -1.08 -1.11 -4.90 116.67 121.81 2crr s ASP 129 Ca 0.13 -1.24 -0.12 0.00 -0.52 0.00 0.00 52.55 50.80 2crr s ASP 129 Cb -0.16 -2.26 -0.34 0.00 -1.46 0.00 0.00 42.92 38.71 2crr s ASP 129 CO 0.11 -0.87 0.99 0.07 0.52 0.00 0.00 175.17 175.98 2crr h LYS 130 N 8.96 0.46 -1.04 4.34 5.09 -1.96 -3.31 116.57 129.11 2crr h LYS 130 Ca -0.28 -0.79 0.38 0.00 0.09 0.00 0.00 60.65 60.04 2crr h LYS 130 Cb 1.10 0.29 -0.16 0.00 0.10 0.00 0.00 32.23 33.56 2crr h LYS 130 CO 0.98 1.37 0.59 -0.91 -2.09 0.00 0.00 179.45 179.40 2crr h ASN 131 N 0.13 0.39 -0.96 7.07 4.21 -2.01 0.53 115.58 124.94 2crr h ASN 131 Ca -0.24 0.22 0.28 0.00 1.21 0.00 0.00 56.30 57.76 2crr h ASN 131 Cb 2.12 0.20 -0.14 0.00 -1.12 0.00 0.00 38.32 39.38 2crr h ASN 131 CO 0.25 -0.28 0.48 0.00 -1.29 0.00 0.00 177.43 176.59 2crr h ALA 132 N 1.89 1.72 -6.82 -0.83 0.00 -1.98 -3.44 119.26 109.79 2crr h ALA 132 Ca 0.80 0.19 -0.47 0.00 0.00 0.00 0.00 54.91 55.42 2crr h ALA 132 Cb 2.05 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 19.91 2crr h ALA 132 CO -0.66 -0.48 -0.76 -0.89 0.00 0.00 0.00 179.25 176.46 2crr n ILE 133 N -5.07 -1.32 -2.86 0.00 2.08 0.19 -4.91 119.36 107.46 2crr n ILE 133 Ca 0.28 -0.42 -0.21 0.00 0.56 0.00 0.00 62.75 62.96 2crr n ILE 133 Cb 0.84 -1.19 0.08 0.00 -0.75 0.00 0.00 39.64 38.63 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 -3.98 4.33 -0.47 -1.39 0.00 -1.26 -4.95 121.76 114.03 2crr s ALA 134 Ca 0.17 -2.02 -0.42 0.00 0.00 0.00 0.00 51.96 49.70 2crr s ALA 134 Cb -0.10 -1.66 -0.18 0.00 0.00 0.00 0.00 23.12 21.18 2crr s ALA 134 CO 0.76 -1.13 2.01 -0.89 0.00 0.00 0.00 175.76 176.51 2crr n ILE 135 N -2.49 0.00 -3.75 0.00 5.41 -1.26 -4.89 119.36 112.37 2crr n ILE 135 Ca 0.16 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.77 2crr n ILE 135 Cb 0.61 -0.47 -0.09 0.00 -0.71 0.00 0.00 39.64 38.98 2crr n ILE 135 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2crr s SER 136 N 5.57 -0.21 0.00 4.38 0.15 -1.26 -4.81 113.70 117.52 2crr s SER 136 Ca 1.13 0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.90 2crr s SER 136 Cb -1.42 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 2crr s SER 136 CO 0.63 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2crr n GLY 137 N 1.28 1.51 0.00 9.45 0.00 -1.26 -4.88 105.19 111.30 2crr n GLY 137 Ca -0.21 -1.65 0.03 0.00 0.00 0.00 0.00 46.02 44.18 2crr n GLY 137 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crr n PRO 138 N 0.00 0.49 -2.70 1.61 -0.04 -1.26 -4.69 135.00 128.41 2crr n PRO 138 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 2crr n PRO 138 Cb 0.00 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.27 2crr n PRO 138 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2crr s SER 139 N -1.68 6.65 0.52 3.54 0.15 -1.26 -5.02 113.70 116.61 2crr s SER 139 Ca 0.08 0.49 0.02 0.00 0.70 0.00 0.00 55.95 57.24 2crr s SER 139 Cb 0.04 -2.51 -0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2crr s SER 139 CO 0.06 -1.08 0.07 -0.94 1.20 0.00 0.00 173.24 172.56 2crr s SER 140 N 2.19 4.22 0.00 5.45 1.04 -1.26 -5.04 113.70 120.30 2crr s SER 140 Ca 0.43 -1.58 0.00 0.00 0.48 0.00 0.00 55.95 55.29 2crr s SER 140 Cb -0.09 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2crr s SER 140 CO 0.26 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.19