#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 -0.17 -0.22 1.61 0.15 -1.26 -5.15 113.70 108.66 2crr s SER 2 Ca 0.00 0.55 -0.27 0.00 0.70 0.00 0.00 55.95 56.93 2crr s SER 2 Cb 0.00 0.47 0.12 0.00 -1.71 0.00 0.00 66.02 64.90 2crr s SER 2 CO 0.00 -0.18 0.97 -0.55 1.20 0.00 0.00 173.24 174.68 2crr s SER 3 N 1.46 -0.46 0.27 5.45 0.15 -1.26 -5.18 113.70 114.13 2crr s SER 3 Ca -0.08 0.74 0.08 0.00 0.70 0.00 0.00 55.95 57.39 2crr s SER 3 Cb -0.11 0.70 -0.04 0.00 -1.71 0.00 0.00 66.02 64.86 2crr s SER 3 CO -0.09 -0.26 0.15 -0.83 1.20 0.00 0.00 173.24 173.41 2crr s GLY 4 N -0.33 1.55 -0.00 9.45 0.00 -1.26 -5.14 107.32 111.59 2crr s GLY 4 Ca 0.00 -1.53 -0.05 0.00 0.00 0.00 0.00 44.72 43.14 2crr s GLY 4 CO -0.02 -1.56 0.09 -0.45 0.00 0.00 0.00 173.10 171.16 2crr s SER 5 N -3.81 0.04 0.48 1.64 0.15 -1.26 -5.17 113.70 105.78 2crr s SER 5 Ca 0.34 -0.17 -0.02 0.00 0.70 0.00 0.00 55.95 56.79 2crr s SER 5 Cb -0.07 0.18 -0.01 0.00 -1.71 0.00 0.00 66.02 64.42 2crr s SER 5 CO 0.23 -0.27 0.73 -0.55 1.20 0.00 0.00 173.24 174.59 2crr s SER 6 N -1.05 5.92 0.00 5.45 0.15 -1.26 -5.11 113.70 117.80 2crr s SER 6 Ca -0.11 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.07 2crr s SER 6 Cb -0.07 -1.78 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 2crr s SER 6 CO 0.01 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.34 2crr n GLY 7 N -2.20 0.52 4.30 9.45 0.00 -1.26 -4.81 105.19 111.19 2crr n GLY 7 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -2.63 -0.05 1.61 4.81 -1.26 -4.81 118.16 115.83 2crr n LYS 8 Ca 0.00 0.32 -0.10 0.00 -0.87 0.00 0.00 58.31 57.66 2crr n LYS 8 Cb 0.00 -5.02 -0.03 0.00 0.02 0.00 0.00 35.03 29.99 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 -4.31 2.01 -0.13 3.14 0.00 -1.26 -4.69 120.51 115.26 2crr n ALA 9 Ca 0.09 -0.49 -0.05 0.00 0.00 0.00 0.00 53.44 53.00 2crr n ALA 9 Cb 0.48 0.23 0.02 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.51 -0.04 -1.24 0.00 4.20 -1.87 -0.32 115.11 115.34 2crr h GLN 10 Ca -0.18 0.00 0.43 0.00 0.06 0.00 0.00 58.65 58.97 2crr h GLN 10 Cb 0.91 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 28.57 2crr h GLN 10 CO -0.11 -0.02 0.79 1.63 -0.67 0.00 0.00 178.83 180.45 2crr n LYS 11 N -5.34 -0.03 -0.00 1.46 4.76 -1.26 0.83 118.16 118.57 2crr n LYS 11 Ca 0.03 1.15 -0.12 0.00 -2.87 0.00 0.00 58.31 56.49 2crr n LYS 11 Cb 0.25 -2.26 -0.10 0.00 -1.84 0.00 0.00 35.03 31.09 2crr n LYS 11 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2crr h LEU 12 N 0.00 -0.07 -9.53 -0.35 5.85 -1.33 -3.44 115.31 106.45 2crr h LEU 12 Ca 0.80 -0.54 -0.54 0.00 0.84 0.00 0.00 57.88 58.45 2crr h LEU 12 Cb 2.56 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 43.58 2crr h LEU 12 CO -0.44 0.55 0.23 0.54 -0.34 0.00 0.00 178.44 178.98 2crr s ASN 13 N -5.72 7.30 0.00 1.25 2.20 0.24 -4.94 114.94 115.29 2crr s ASN 13 Ca -0.15 1.56 0.00 0.00 -0.94 0.00 0.00 52.86 53.33 2crr s ASN 13 Cb 0.00 -2.51 0.00 0.00 -2.00 0.00 0.00 41.25 36.74 2crr s ASN 13 CO 0.60 -0.03 0.00 1.21 -2.94 0.00 0.00 177.10 175.94 2crr n GLU 14 N 2.91 0.00 -1.30 3.55 2.13 -1.26 -4.78 120.64 121.88 2crr n GLU 14 Ca -0.00 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.46 2crr n GLU 14 Cb 0.50 -0.79 -0.13 0.00 0.27 0.00 0.00 31.44 31.29 2crr n GLU 14 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2crr n GLN 15 N -2.70 0.00 -0.07 5.31 0.00 -1.26 -4.77 117.38 113.90 2crr n GLN 15 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 57.00 56.85 2crr n GLN 15 Cb 0.49 -1.30 -0.10 0.00 0.00 0.00 0.00 30.24 29.33 2crr n GLN 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2crr h HIS 16 N 10.42 -1.66 -0.53 2.61 3.86 -1.98 -2.37 115.15 125.50 2crr h HIS 16 Ca -0.04 0.07 0.05 0.00 -1.16 0.00 0.00 60.37 59.29 2crr h HIS 16 Cb 1.14 0.76 -0.06 0.00 1.06 0.00 0.00 27.41 30.31 2crr h HIS 16 CO 0.95 -0.52 -0.31 1.04 0.86 0.00 0.00 177.93 179.94 2crr n GLN 17 N -5.41 -0.23 -0.03 2.45 3.00 -1.26 -1.00 117.38 114.90 2crr n GLN 17 Ca -0.05 0.96 -0.04 0.00 -0.01 0.00 0.00 57.00 57.86 2crr n GLN 17 Cb 0.36 -1.42 -0.03 0.00 0.00 0.00 0.00 30.24 29.15 2crr n GLN 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2crr h LEU 18 N 0.00 -0.55 -0.11 1.08 5.85 -1.80 -1.59 115.31 118.19 2crr h LEU 18 Ca 0.09 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.88 2crr h LEU 18 Cb 0.22 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2crr h LEU 18 CO -0.50 -0.13 -0.06 -0.38 -0.34 0.00 0.00 178.44 177.03 2crr n ILE 19 N -3.48 -0.07 -0.31 4.05 5.41 -0.17 0.90 119.36 125.68 2crr n ILE 19 Ca -0.01 1.23 0.15 0.00 1.00 0.00 0.00 62.75 65.11 2crr n ILE 19 Cb 0.11 -1.61 0.30 0.00 -0.71 0.00 0.00 39.64 37.73 2crr n ILE 19 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2crr h LEU 20 N 0.00 -0.21 -0.80 1.39 3.38 -1.15 0.79 115.31 118.72 2crr h LEU 20 Ca 0.02 0.24 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 2crr h LEU 20 Cb 0.04 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2crr h LEU 20 CO -0.10 -0.27 0.11 -1.28 0.09 0.00 0.00 178.44 176.99 2crr h SER 21 N 0.10 0.97 -0.65 -0.43 0.87 0.15 -2.58 113.55 111.97 2crr h SER 21 Ca 0.59 -0.21 0.01 0.00 -1.23 0.00 0.00 61.79 60.94 2crr h SER 21 Cb 1.23 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.90 2crr h SER 21 CO -0.78 0.96 0.43 0.11 -0.53 0.00 0.00 176.83 177.02 2crr h LYS 22 N 0.96 0.84 0.32 2.24 1.57 0.48 -2.40 116.57 120.58 2crr h LYS 22 Ca 0.19 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2crr h LYS 22 Cb 0.40 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2crr h LYS 22 CO 0.01 0.55 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.22 2crr h LEU 23 N 0.86 -0.36 -0.87 2.94 3.38 -0.92 -3.18 115.31 117.16 2crr h LEU 23 Ca 0.24 -0.17 0.21 0.00 0.09 0.00 0.00 57.88 58.25 2crr h LEU 23 Cb -0.07 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 40.65 2crr h LEU 23 CO -0.06 0.02 0.35 -0.07 0.09 0.00 0.00 178.44 178.78 2crr h LEU 24 N -0.81 0.26 -1.64 1.67 3.38 -1.30 0.30 115.31 117.18 2crr h LEU 24 Ca -0.04 0.15 0.37 0.00 0.09 0.00 0.00 57.88 58.45 2crr h LEU 24 Cb 0.52 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.33 2crr h LEU 24 CO 0.07 -0.01 0.85 0.03 0.09 0.00 0.00 178.44 179.47 2crr h ARG 25 N 0.37 0.14 -6.82 1.13 3.08 -1.41 -2.96 114.38 107.92 2crr h ARG 25 Ca 0.53 -0.01 -0.52 0.00 0.07 0.00 0.00 59.98 60.05 2crr h ARG 25 Cb 1.00 -0.03 0.06 0.00 0.08 0.00 0.00 29.97 31.08 2crr h ARG 25 CO -0.53 0.10 0.69 -1.21 -1.07 0.00 0.00 179.97 177.95 2crr s GLU 26 N -5.21 4.31 0.49 0.04 0.41 0.11 -4.79 118.70 114.07 2crr s GLU 26 Ca -0.07 2.25 0.23 0.00 -0.41 0.00 0.00 54.97 56.98 2crr s GLU 26 Cb 0.26 -3.09 1.29 0.00 -1.78 0.00 0.00 34.13 30.81 2crr s GLU 26 CO 0.82 -0.30 1.94 0.93 -0.49 0.00 0.00 175.26 178.16 2crr h GLU 27 N 4.14 0.15 0.00 1.61 5.08 -1.86 0.52 114.58 124.23 2crr h GLU 27 Ca -0.48 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 2crr h GLU 27 Cb 1.22 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2crr h GLU 27 CO 0.71 0.10 -0.16 0.22 -1.00 0.00 0.00 179.01 178.88 2crr h ASP 28 N 0.16 0.00 -0.07 1.42 1.82 -1.90 -2.71 116.42 115.14 2crr h ASP 28 Ca 0.34 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.98 2crr h ASP 28 Cb 1.12 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.13 2crr h ASP 28 CO -0.05 0.16 0.00 0.59 -1.61 0.00 0.00 179.24 178.32 2crr n ASN 29 N -3.52 2.38 0.17 2.28 4.13 0.15 -4.57 115.26 116.27 2crr n ASN 29 Ca -0.01 -2.37 0.06 0.00 1.68 0.00 0.00 54.58 53.94 2crr n ASN 29 Cb 0.31 -0.19 0.17 0.00 -1.54 0.00 0.00 39.78 38.53 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 0.44 0.00 -5.00 3.52 1.57 -0.11 -3.41 116.57 113.58 2crr h LYS 30 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 2crr h LYS 30 Cb 0.74 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.89 2crr h LYS 30 CO 0.02 0.36 -0.72 0.71 -0.57 0.00 0.00 179.45 179.25 2crr s TYR 31 N -3.20 1.15 0.99 -1.35 1.51 -1.26 -3.57 117.35 111.62 2crr s TYR 31 Ca 0.03 -0.72 -0.16 0.00 -1.01 0.00 0.00 57.07 55.22 2crr s TYR 31 Cb 0.08 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.28 2crr s TYR 31 CO 0.71 0.03 -0.20 0.00 -1.11 0.00 0.00 175.55 174.97 2crr n ALA 33 N -3.26 2.49 0.07 0.00 0.00 -1.15 -3.09 120.51 115.56 2crr n ALA 33 Ca 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2crr n ALA 33 Cb 0.57 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 0.88 0.38 -1.32 0.00 8.00 -1.26 -4.83 116.55 118.39 2crr n ASP 34 Ca 0.17 0.22 0.12 0.00 0.71 0.00 0.00 54.79 56.01 2crr n ASP 34 Cb 0.48 0.01 0.31 0.00 -0.02 0.00 0.00 41.12 41.89 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 1.60 -1.01 -0.48 0.00 1.02 -1.18 -4.80 120.64 115.79 2crr n GLU 36 Ca 0.24 0.11 -0.28 0.00 -0.02 0.00 0.00 57.16 57.20 2crr n GLU 36 Cb 0.62 -4.07 0.23 0.00 -0.02 0.00 0.00 31.44 28.19 2crr n GLU 36 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2crr n ALA 37 N -3.40 -3.52 -3.02 0.62 0.00 -1.26 -4.29 120.51 105.63 2crr n ALA 37 Ca 0.09 -1.39 -0.44 0.00 0.00 0.00 0.00 53.44 51.70 2crr n ALA 37 Cb 0.40 -1.56 -0.07 0.00 0.00 0.00 0.00 19.45 18.21 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 -4.08 2.93 0.00 0.00 1.02 -1.26 -3.01 119.74 115.34 2crr s LYS 38 Ca 0.59 -1.45 0.00 0.00 0.02 0.00 0.00 55.97 55.13 2crr s LYS 38 Cb -0.15 -4.13 0.00 0.00 -0.52 0.00 0.00 37.83 33.03 2crr s LYS 38 CO 0.59 -1.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.33 2crr n GLY 39 N 5.18 0.75 3.58 -3.33 0.00 -1.23 -4.97 105.19 105.17 2crr n GLY 39 Ca -0.12 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.35 2.49 0.00 1.61 0.04 -1.26 -4.83 135.00 130.70 2crr s PRO 40 Ca 0.00 -1.06 0.00 0.00 0.04 0.00 0.00 61.00 59.98 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 -3.92 0.66 -2.13 0.04 0.00 0.00 177.00 171.65 2crr n ARG 41 N 8.35 0.00 -0.85 4.56 3.00 -1.26 -4.57 116.66 125.89 2crr n ARG 41 Ca 0.44 0.20 -0.35 0.00 -0.00 0.00 0.00 57.85 58.13 2crr n ARG 41 Cb 0.47 -1.16 0.10 0.00 0.00 0.00 0.00 32.46 31.86 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 -1.03 -1.81 -3.55 -0.14 7.02 -1.19 -4.68 117.44 112.07 2crr n TRP 42 Ca 0.00 0.34 -0.16 0.00 -1.02 0.00 0.00 57.50 56.65 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 -2.13 -1.80 -0.37 6.99 0.00 -1.25 -2.47 121.76 120.73 2crr s ALA 43 Ca 0.46 1.47 -0.06 0.00 0.00 0.00 0.00 51.96 53.83 2crr s ALA 43 Cb -0.05 -0.29 0.06 0.00 0.00 0.00 0.00 23.12 22.84 2crr s ALA 43 CO 0.68 -0.35 0.15 0.45 0.00 0.00 0.00 175.76 176.69 2crr s SER 44 N -0.93 5.35 -0.00 0.00 0.15 0.73 -3.70 113.70 115.29 2crr s SER 44 Ca -0.08 -1.41 -0.24 0.00 0.70 0.00 0.00 55.95 54.92 2crr s SER 44 Cb -0.01 -1.88 -0.17 0.00 -1.71 0.00 0.00 66.02 62.26 2crr s SER 44 CO 0.07 -0.42 1.18 4.11 1.20 0.00 0.00 173.24 179.39 2crr h TRP 45 N 8.22 -0.30 -0.75 3.44 5.08 -1.82 0.41 115.95 130.23 2crr h TRP 45 Ca -0.21 -0.01 0.23 0.00 1.08 0.00 0.00 58.89 59.98 2crr h TRP 45 Cb 1.07 0.10 -0.14 0.00 -3.00 0.00 0.00 29.16 27.19 2crr h TRP 45 CO 0.60 0.06 0.11 -1.71 -1.28 0.00 0.00 178.44 176.21 2crr n ASN 46 N -5.06 -0.01 -0.05 0.11 5.15 -1.26 -0.46 115.26 113.68 2crr n ASN 46 Ca -0.09 1.27 -0.22 0.00 -0.60 0.00 0.00 54.58 54.94 2crr n ASN 46 Cb 0.26 -0.50 -0.13 0.00 -0.53 0.00 0.00 39.78 38.88 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 -4.96 1.65 0.00 -1.44 5.41 -1.20 -5.01 119.36 113.81 2crr n ILE 47 Ca 0.20 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.62 2crr n ILE 47 Cb 0.67 -1.89 0.00 0.00 -0.71 0.00 0.00 39.64 37.71 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 1.70 0.69 3.30 7.39 0.00 0.14 -4.79 105.19 113.62 2crr n GLY 48 Ca -0.33 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.25 0.05 -0.23 1.61 -7.23 -0.73 -1.68 120.40 110.94 2crr s VAL 49 Ca 0.00 -0.38 -0.18 0.00 -1.81 0.00 0.00 61.98 59.62 2crr s VAL 49 Cb 0.00 -0.72 -0.03 0.00 0.56 0.00 0.00 36.38 36.19 2crr s VAL 49 CO 0.00 -0.21 0.49 -0.36 -0.31 0.00 0.00 175.10 174.71 2crr s PHE 50 N -1.39 3.32 0.19 2.82 0.40 -1.26 -0.20 117.98 121.87 2crr s PHE 50 Ca -0.12 0.67 0.09 0.00 -0.60 0.00 0.00 56.93 56.96 2crr s PHE 50 Cb -0.04 -2.66 -0.04 0.00 0.51 0.00 0.00 43.02 40.78 2crr s PHE 50 CO 0.05 -0.17 -0.17 0.96 0.70 0.00 0.00 175.22 176.58 2crr s ILE 51 N 1.91 1.88 1.03 0.64 -4.36 -1.03 -2.94 121.20 118.33 2crr s ILE 51 Ca 0.21 -2.09 -0.15 0.00 -0.26 0.00 0.00 60.65 58.37 2crr s ILE 51 Cb -0.15 -1.98 0.20 0.00 1.25 0.00 0.00 42.46 41.78 2crr s ILE 51 CO 0.09 -0.43 1.14 0.00 0.24 0.00 0.00 174.94 175.98 2crr h ILE 53 N -1.94 1.08 0.06 0.00 2.10 -1.93 -0.83 117.51 116.05 2crr h ILE 53 Ca -0.50 -0.23 0.02 0.00 1.08 0.00 0.00 64.86 65.23 2crr h ILE 53 Cb 1.31 1.08 -0.05 0.00 -1.09 0.00 0.00 36.82 38.07 2crr h ILE 53 CO 0.51 0.07 -0.52 -0.09 -1.08 0.00 0.00 178.15 177.03 2crr h ARG 54 N 0.05 -0.68 -0.60 2.19 1.12 -2.01 -1.79 114.38 112.66 2crr h ARG 54 Ca 0.03 0.05 0.06 0.00 -1.11 0.00 0.00 59.98 59.01 2crr h ARG 54 Cb 0.07 0.15 -0.06 0.00 -0.01 0.00 0.00 29.97 30.13 2crr h ARG 54 CO -0.00 -0.45 0.29 0.00 -3.11 0.00 0.00 179.97 176.70 2crr h ALA 56 N 1.34 -0.08 -0.77 0.00 0.00 -0.43 -1.04 119.26 118.28 2crr h ALA 56 Ca 0.28 0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.47 2crr h ALA 56 Cb 0.22 0.75 -0.14 0.00 0.00 0.00 0.00 17.79 18.62 2crr h ALA 56 CO -0.21 -0.69 -0.27 0.78 0.00 0.00 0.00 179.25 178.87 2crr h GLY 57 N -0.19 0.29 1.16 0.00 0.00 -0.94 0.32 103.07 103.72 2crr h GLY 57 Ca 0.21 0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.89 2crr h GLY 57 CO -0.63 -0.26 0.46 -2.22 0.00 0.00 0.00 176.54 173.89 2crr h ILE 58 N -0.05 1.23 -0.62 2.60 5.03 -1.26 -2.09 117.51 122.35 2crr h ILE 58 Ca 0.33 -0.54 0.03 0.00 -0.12 0.00 0.00 64.86 64.57 2crr h ILE 58 Cb 0.58 0.12 -0.03 0.00 -3.03 0.00 0.00 36.82 34.45 2crr h ILE 58 CO -0.81 0.25 0.41 0.45 -0.68 0.00 0.00 178.15 177.77 2crr h HIS 59 N 1.12 0.70 -0.26 1.37 3.86 0.47 -2.31 115.15 120.09 2crr h HIS 59 Ca 0.29 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.50 2crr h HIS 59 Cb -0.01 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 2crr h HIS 59 CO 0.01 0.41 0.13 0.00 0.86 0.00 0.00 177.93 179.33 2crr h ARG 60 N 0.73 0.38 -0.39 2.45 3.08 -0.55 -3.00 114.38 117.08 2crr h ARG 60 Ca 0.25 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.31 2crr h ARG 60 Cb 0.09 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 2crr h ARG 60 CO -0.07 0.37 0.05 -2.95 -1.07 0.00 0.00 179.97 176.31 2crr h ASN 61 N 0.29 -0.05 -0.65 7.04 7.08 -1.35 -2.45 115.58 125.50 2crr h ASN 61 Ca 0.09 0.07 0.14 0.00 -3.08 0.00 0.00 56.30 53.53 2crr h ASN 61 Cb 0.12 0.11 -0.12 0.00 -2.08 0.00 0.00 38.32 36.35 2crr h ASN 61 CO -0.01 0.01 -0.11 0.18 -2.08 0.00 0.00 177.43 175.42 2crr n LEU 62 N -5.13 -0.19 0.00 6.14 4.77 -1.08 -4.82 117.00 116.69 2crr n LEU 62 Ca 0.02 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 2crr n LEU 62 Cb 0.19 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2crr n LEU 62 CO 0.22 -1.08 0.00 0.61 -1.33 0.00 0.00 177.39 175.81 2crr n GLY 63 N -1.38 4.27 0.18 -0.72 0.00 -0.92 -4.65 105.19 101.97 2crr n GLY 63 Ca 0.12 -1.28 0.10 0.00 0.00 0.00 0.00 46.02 44.96 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 0.79 0.00 0.13 1.61 -1.51 -1.79 0.52 116.25 116.01 2crr h VAL 64 Ca 0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 66.70 65.12 2crr h VAL 64 Cb 0.00 0.44 -0.01 0.00 -2.13 0.00 0.00 31.29 29.59 2crr h VAL 64 CO 0.00 0.00 -1.88 1.12 -1.23 0.00 0.00 177.57 175.58 2crr h HIS 65 N 0.00 0.51 0.00 5.19 -0.00 -1.97 -3.40 115.15 115.49 2crr h HIS 65 Ca 0.00 -0.37 -0.00 0.00 -0.00 0.00 0.00 60.37 59.99 2crr h HIS 65 Cb 0.23 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 2crr h HIS 65 CO 0.00 1.67 -0.01 0.82 -0.00 0.00 0.00 177.93 180.42 2crr h ILE 66 N 0.08 1.64 -1.69 6.12 2.04 -1.31 -3.48 117.51 120.91 2crr h ILE 66 Ca -0.38 -1.90 0.04 0.00 1.00 0.00 0.00 64.86 63.62 2crr h ILE 66 Cb 2.05 2.94 -0.24 0.00 -0.74 0.00 0.00 36.82 40.83 2crr h ILE 66 CO 0.12 0.49 0.39 -0.55 0.00 0.00 0.00 178.15 178.61 2crr s SER 67 N -6.03 -0.50 0.11 1.72 0.15 -0.01 -4.91 113.70 104.23 2crr s SER 67 Ca -0.18 0.87 0.07 0.00 0.70 0.00 0.00 55.95 57.42 2crr s SER 67 Cb -0.01 0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 65.11 2crr s SER 67 CO 0.69 -0.24 -0.10 -0.13 1.20 0.00 0.00 173.24 174.66 2crr s ARG 68 N -0.10 2.11 -0.03 5.44 0.52 -1.26 -4.18 118.95 121.44 2crr s ARG 68 Ca 0.01 -1.06 0.05 0.00 -0.52 0.00 0.00 55.73 54.21 2crr s ARG 68 Cb -0.04 -2.28 -0.01 0.00 0.52 0.00 0.00 34.95 33.14 2crr s ARG 68 CO -0.02 0.50 -0.19 0.08 0.02 0.00 0.00 175.30 175.68 2crr s VAL 69 N -1.27 1.58 -0.26 3.52 1.01 -1.26 -4.28 120.40 119.44 2crr s VAL 69 Ca 0.22 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 61.14 2crr s VAL 69 Cb -0.11 -1.34 0.07 0.00 0.00 0.00 0.00 36.38 35.00 2crr s VAL 69 CO 0.14 0.45 0.69 -1.59 0.00 0.00 0.00 175.10 174.78 2crr s LYS 70 N -0.18 0.80 0.70 2.72 -2.85 -1.24 -5.04 119.74 114.64 2crr s LYS 70 Ca 0.01 0.96 -0.16 0.00 -1.00 0.00 0.00 55.97 55.77 2crr s LYS 70 Cb -0.10 0.38 -0.02 0.00 -2.06 0.00 0.00 37.83 36.03 2crr s LYS 70 CO 0.01 -0.10 0.80 0.43 0.10 0.00 0.00 175.35 176.60 2crr n SER 71 N 2.75 -0.11 -0.07 0.03 7.64 -1.26 -3.99 113.62 118.61 2crr n SER 71 Ca -0.14 0.66 -0.13 0.00 1.01 0.00 0.00 58.87 60.28 2crr n SER 71 Cb 0.55 -1.33 -0.11 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 -0.17 1.39 0.00 0.44 2.07 -1.83 -3.33 116.25 114.82 2crr h VAL 72 Ca -0.47 -2.10 -0.07 0.00 0.82 0.00 0.00 66.70 64.88 2crr h VAL 72 Cb 1.35 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 33.79 2crr h VAL 72 CO 0.46 0.47 -0.99 -3.20 0.02 0.00 0.00 177.57 174.33 2crr n ASN 73 N -4.62 1.88 -0.32 0.57 5.15 -1.26 -4.42 115.26 112.24 2crr n ASN 73 Ca -0.11 0.46 0.23 0.00 -0.60 0.00 0.00 54.58 54.56 2crr n ASN 73 Cb 0.43 -0.82 0.45 0.00 -0.53 0.00 0.00 39.78 39.30 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 -1.00 0.17-10.19 1.20 3.38 -1.99 -3.39 115.31 103.48 2crr h LEU 74 Ca -0.10 0.23 -0.46 0.00 0.09 0.00 0.00 57.88 57.64 2crr h LEU 74 Cb 0.90 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2crr h LEU 74 CO -0.06 -0.29 -0.40 -1.81 0.09 0.00 0.00 178.44 175.97 2crr s ASP 75 N -4.82 6.32 0.30 -0.43 1.11 -1.25 -5.03 116.67 112.86 2crr s ASP 75 Ca -0.11 0.12 -0.02 0.00 0.18 0.00 0.00 52.55 52.72 2crr s ASP 75 Cb 0.31 -1.88 -0.04 0.00 1.07 0.00 0.00 42.92 42.37 2crr s ASP 75 CO 0.78 -0.10 0.53 -1.10 1.18 0.00 0.00 175.17 176.46 2crr s GLN 76 N -4.02 3.56 0.35 8.23 -1.52 -1.26 -4.67 119.66 120.33 2crr s GLN 76 Ca 0.35 -0.18 0.03 0.00 -1.95 0.00 0.00 55.36 53.61 2crr s GLN 76 Cb -0.09 -2.68 -0.04 0.00 -0.22 0.00 0.00 33.01 29.97 2crr s GLN 76 CO 0.30 0.22 0.10 -1.58 -0.25 0.00 0.00 175.29 174.07 2crr s TRP 77 N -2.14 1.81 0.02 0.91 0.52 -1.26 -5.05 118.94 113.74 2crr s TRP 77 Ca 0.42 -1.15 0.02 0.00 0.02 0.00 0.00 56.10 55.40 2crr s TRP 77 Cb -0.10 -1.15 -0.01 0.00 -1.15 0.00 0.00 33.47 31.05 2crr s TRP 77 CO 0.32 -0.20 -0.06 0.95 0.02 0.00 0.00 176.95 177.99 2crr s THR 78 N -3.34 0.40 0.27 2.01 -4.23 -1.26 -5.02 115.64 104.48 2crr s THR 78 Ca 0.31 -0.62 0.04 0.00 -1.18 0.00 0.00 61.69 60.25 2crr s THR 78 Cb 0.06 -0.42 0.34 0.00 1.34 0.00 0.00 72.50 73.82 2crr s THR 78 CO 0.15 -0.15 1.32 0.00 -0.54 0.00 0.00 174.62 175.40 2crr n ALA 79 N 2.23 0.51 -0.12 3.99 0.00 -1.26 0.59 120.51 126.45 2crr n ALA 79 Ca -0.18 0.89 -0.07 0.00 0.00 0.00 0.00 53.44 54.09 2crr n ALA 79 Cb 0.57 -0.69 -0.01 0.00 0.00 0.00 0.00 19.45 19.31 2crr n ALA 79 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2crr h GLU 80 N 0.00 -0.22 -0.04 0.00 4.39 -2.00 0.65 114.58 117.36 2crr h GLU 80 Ca 0.55 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.23 2crr h GLU 80 Cb 1.20 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2crr h GLU 80 CO -0.77 -0.15 -0.12 1.96 -1.16 0.00 0.00 179.01 178.78 2crr h GLN 81 N -0.23 0.15 -0.66 2.33 7.50 -0.26 -3.23 115.11 120.71 2crr h GLN 81 Ca 0.18 -0.11 0.12 0.00 0.50 0.00 0.00 58.65 59.34 2crr h GLN 81 Cb 0.52 0.02 -0.12 0.00 0.05 0.00 0.00 27.48 27.94 2crr h GLN 81 CO -0.53 0.72 -0.32 0.82 -1.50 0.00 0.00 178.83 178.02 2crr h ILE 82 N -0.39 0.16 -0.81 2.54 1.08 -0.45 0.21 117.51 119.84 2crr h ILE 82 Ca -0.00 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.62 2crr h ILE 82 Cb 0.73 0.16 -0.10 0.00 -3.07 0.00 0.00 36.82 34.54 2crr h ILE 82 CO 0.03 0.00 0.38 -0.61 -0.69 0.00 0.00 178.15 177.26 2crr h GLN 83 N -0.12 0.52 0.20 2.37 5.75 -0.96 -2.23 115.11 120.64 2crr h GLN 83 Ca 0.26 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.74 2crr h GLN 83 Cb 0.56 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.95 2crr h GLN 83 CO -0.73 0.35 -0.43 0.00 -2.65 0.00 0.00 178.83 175.37 2crr n MET 85 N -5.48 -0.17 -0.00 0.00 2.81 -0.84 0.07 117.12 113.50 2crr n MET 85 Ca -0.08 1.18 -0.13 0.00 -1.81 0.00 0.00 57.70 56.86 2crr n MET 85 Cb 0.39 -1.76 -0.10 0.00 -0.71 0.00 0.00 33.22 31.05 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 -0.01 -0.89 0.03 7.50 -1.46 0.53 115.11 120.81 2crr h GLN 86 Ca 0.27 0.00 0.24 0.00 0.50 0.00 0.00 58.65 59.66 2crr h GLN 86 Cb 0.47 0.00 -0.16 0.00 0.05 0.00 0.00 27.48 27.84 2crr h GLN 86 CO -0.76 0.42 0.10 -0.44 -1.50 0.00 0.00 178.83 176.64 2crr h ASP 87 N -0.44 -0.28 0.00 1.46 5.19 0.18 -3.28 116.42 119.24 2crr h ASP 87 Ca -0.00 0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 2crr h ASP 87 Cb 0.43 0.38 0.00 0.00 0.18 0.00 0.00 39.33 40.32 2crr h ASP 87 CO 0.00 -0.25 0.00 0.80 -3.12 0.00 0.00 179.24 176.67 2crr n MET 88 N -5.36 0.00 -1.17 3.56 1.56 0.21 -5.01 117.12 110.91 2crr n MET 88 Ca 0.20 0.09 0.09 0.00 -0.27 0.00 0.00 57.70 57.82 2crr n MET 88 Cb 0.67 -0.47 -0.05 0.00 2.15 0.00 0.00 33.22 35.52 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 1.94 -3.43 0.22 -5.12 0.00 0.19 -3.63 105.19 95.36 2crr n GLY 89 Ca 0.00 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.71 -0.55 -0.42 1.61 4.21 -1.83 -1.61 115.58 116.27 2crr h ASN 90 Ca -0.11 0.11 0.04 0.00 1.21 0.00 0.00 56.30 57.55 2crr h ASN 90 Cb 0.98 0.27 -0.05 0.00 -1.12 0.00 0.00 38.32 38.40 2crr h ASN 90 CO 0.04 -0.22 -0.25 0.41 -1.29 0.00 0.00 177.43 176.13 2crr n THR 91 N -5.32 -0.29 0.05 2.81 -1.04 -1.26 -0.37 114.28 108.85 2crr n THR 91 Ca -0.02 1.38 -0.13 0.00 -2.04 0.00 0.00 64.05 63.25 2crr n THR 91 Cb 0.24 -1.74 -0.08 0.00 -1.82 0.00 0.00 70.33 66.93 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 -0.07 -1.49 -2.82 1.57 -1.58 -2.73 116.57 109.45 2crr h LYS 92 Ca 0.07 0.01 0.47 0.00 -1.87 0.00 0.00 60.65 59.32 2crr h LYS 92 Cb 0.17 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.39 2crr h LYS 92 CO -0.40 0.14 1.01 0.00 -0.57 0.00 0.00 179.45 179.64 2crr h ALA 93 N 0.64 3.08 0.00 3.86 0.00 0.30 0.49 119.26 127.64 2crr h ALA 93 Ca -0.01 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2crr h ALA 93 Cb 0.25 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2crr h ALA 93 CO 0.01 -1.67 -0.16 -0.09 0.00 0.00 0.00 179.25 177.34 2crr h ARG 94 N 0.05 0.10 0.00 0.00 2.43 -0.47 0.34 114.38 116.83 2crr h ARG 94 Ca 0.84 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.89 2crr h ARG 94 Cb 2.89 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 32.47 2crr h ARG 94 CO -0.28 0.90 0.00 1.28 -1.51 0.00 0.00 179.97 180.36 2crr n LEU 95 N -4.57 0.00 -0.01 3.80 4.77 0.15 -0.47 117.00 120.66 2crr n LEU 95 Ca -0.10 0.34 -0.03 0.00 -0.03 0.00 0.00 56.01 56.19 2crr n LEU 95 Cb 0.47 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 2crr n LEU 95 CO 0.37 -0.23 -0.22 -0.11 -1.33 0.00 0.00 177.39 175.87 2crr n LEU 96 N -1.34 1.07 -0.03 2.23 -0.00 0.19 -4.50 117.00 114.62 2crr n LEU 96 Ca 0.04 0.16 -0.14 0.00 -0.00 0.00 0.00 56.01 56.07 2crr n LEU 96 Cb 0.09 -0.44 -0.11 0.00 -0.00 0.00 0.00 43.42 42.96 2crr n LEU 96 CO 0.08 -0.53 0.47 1.88 -0.00 0.00 0.00 177.39 179.30 2crr h TYR 97 N -0.33 0.22 -0.35 1.96 0.05 -0.37 -2.50 116.97 115.66 2crr h TYR 97 Ca 0.00 -0.10 -0.22 0.00 0.05 0.00 0.00 58.73 58.46 2crr h TYR 97 Cb 0.33 -0.03 -0.10 0.00 1.01 0.00 0.00 36.73 37.93 2crr h TYR 97 CO -0.14 0.82 0.28 0.39 -1.05 0.00 0.00 178.16 178.46 2crr n GLU 98 N -4.59 1.53 -0.07 4.88 1.02 0.38 -3.84 120.64 119.95 2crr n GLU 98 Ca -0.09 -1.11 -0.09 0.00 -0.02 0.00 0.00 57.16 55.86 2crr n GLU 98 Cb 0.43 -1.43 -0.09 0.00 -0.02 0.00 0.00 31.44 30.33 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 0.39 1.66 -0.60 0.62 0.00 -1.03 -4.49 120.51 117.06 2crr n ALA 99 Ca 0.21 -0.79 -0.02 0.00 0.00 0.00 0.00 53.44 52.84 2crr n ALA 99 Cb 0.69 0.04 0.27 0.00 0.00 0.00 0.00 19.45 20.45 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 -2.73 4.44 -4.80 0.00 3.02 -1.25 -4.97 115.26 108.98 2crr n ASN 100 Ca -0.25 -2.91 -0.32 0.00 -0.03 0.00 0.00 54.58 51.06 2crr n ASN 100 Cb 0.87 -0.69 0.02 0.00 -0.61 0.00 0.00 39.78 39.38 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 -2.34 3.41 0.78 3.41 1.43 -1.26 -4.70 118.68 119.41 2crr s LEU 101 Ca 0.44 1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 55.25 2crr s LEU 101 Cb 0.35 -4.53 0.06 0.00 0.03 0.00 0.00 46.19 42.10 2crr s LEU 101 CO 0.12 -1.30 1.09 -2.16 0.23 0.00 0.00 176.35 174.33 2crr s PRO 102 N -4.26 2.22 0.17 1.29 0.04 -1.26 -4.95 135.00 128.25 2crr s PRO 102 Ca 0.63 1.16 -0.14 0.00 0.04 0.00 0.00 61.00 62.69 2crr s PRO 102 Cb -0.16 -1.89 0.10 0.00 0.04 0.00 0.00 34.50 32.59 2crr s PRO 102 CO 0.41 -1.67 1.79 1.05 0.04 0.00 0.00 177.00 178.62 2crr h GLU 103 N -1.15 0.47 -1.37 4.56 4.11 -2.01 -2.47 114.58 116.71 2crr h GLU 103 Ca -0.44 -0.03 -0.71 0.00 0.07 0.00 0.00 59.36 58.26 2crr h GLU 103 Cb 1.23 -0.11 -0.29 0.00 0.50 0.00 0.00 28.75 30.09 2crr h GLU 103 CO 0.51 0.31 0.87 0.27 0.07 0.00 0.00 179.01 181.05 2crr n ASN 104 N -4.88 7.52 -4.76 3.06 6.94 -1.26 -5.01 115.26 116.86 2crr n ASN 104 Ca 0.03 -3.81 -0.39 0.00 -0.02 0.00 0.00 54.58 50.39 2crr n ASN 104 Cb 0.11 -0.99 0.03 0.00 -2.36 0.00 0.00 39.78 36.57 2crr n ASN 104 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2crr s PHE 105 N -3.91 2.37 -0.07 -2.53 5.36 -0.93 -5.02 117.98 113.25 2crr s PHE 105 Ca 0.59 1.29 -0.03 0.00 -0.96 0.00 0.00 56.93 57.83 2crr s PHE 105 Cb 0.48 -3.90 0.04 0.00 -0.34 0.00 0.00 43.02 39.30 2crr s PHE 105 CO -0.16 -2.98 0.15 0.50 -1.46 0.00 0.00 175.22 171.26 2crr s ARG 106 N -2.62 0.09 0.05 10.12 6.06 -1.26 -5.05 118.95 126.34 2crr s ARG 106 Ca 0.65 0.37 -0.31 0.00 -2.50 0.00 0.00 55.73 53.94 2crr s ARG 106 Cb -0.43 -0.18 -0.07 0.00 0.06 0.00 0.00 34.95 34.34 2crr s ARG 106 CO 0.54 -0.16 1.42 1.03 -2.50 0.00 0.00 175.30 175.62 2crr s ARG 107 N 1.15 4.29 0.27 5.12 0.52 -1.26 -4.98 118.95 124.06 2crr s ARG 107 Ca -0.09 2.03 -0.29 0.00 -0.52 0.00 0.00 55.73 56.86 2crr s ARG 107 Cb -0.11 -3.47 -0.09 0.00 0.52 0.00 0.00 34.95 31.80 2crr s ARG 107 CO -0.06 -0.54 1.26 -1.25 0.02 0.00 0.00 175.30 174.73 2crr s PRO 108 N 1.97 4.44 -0.24 3.54 0.04 -1.26 -4.96 135.00 138.53 2crr s PRO 108 Ca 0.65 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.76 2crr s PRO 108 Cb -0.34 -3.15 -0.15 0.00 0.04 0.00 0.00 34.50 30.90 2crr s PRO 108 CO 0.28 -0.12 -0.21 0.94 0.04 0.00 0.00 177.00 177.93 2crr n GLN 109 N 1.61 0.59 -2.56 4.56 -0.06 -1.26 -4.74 117.38 115.52 2crr n GLN 109 Ca 0.02 0.14 -0.41 0.00 -2.00 0.00 0.00 57.00 54.75 2crr n GLN 109 Cb 0.43 -1.47 -0.05 0.00 -4.06 0.00 0.00 30.24 25.09 2crr n GLN 109 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2crr s THR 110 N -2.47 3.80 0.22 1.69 -4.23 -1.26 -4.92 115.64 108.47 2crr s THR 110 Ca -0.32 1.70 -0.07 0.00 -1.18 0.00 0.00 61.69 61.82 2crr s THR 110 Cb 0.08 -4.08 0.17 0.00 1.34 0.00 0.00 72.50 70.01 2crr s THR 110 CO 0.54 0.36 1.77 -0.78 -0.54 0.00 0.00 174.62 175.98 2crr h ASP 111 N 4.44 0.43 -0.81 3.99 1.82 -1.98 -1.00 116.42 123.30 2crr h ASP 111 Ca -0.45 0.06 0.16 0.00 -0.39 0.00 0.00 57.03 56.41 2crr h ASP 111 Cb 1.21 -0.01 -0.15 0.00 0.68 0.00 0.00 39.33 41.06 2crr h ASP 111 CO 0.69 0.25 -0.20 -0.61 -1.61 0.00 0.00 179.24 177.76 2crr h GLN 112 N 0.57 0.00 0.23 0.28 5.75 -2.00 0.15 115.11 120.09 2crr h GLN 112 Ca 0.34 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.83 2crr h GLN 112 Cb 0.37 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.92 2crr h GLN 112 CO -0.27 0.00 -0.11 0.00 -2.65 0.00 0.00 178.83 175.80 2crr h ALA 113 N 1.81 -0.30 -1.00 3.38 0.00 -1.79 -3.31 119.26 118.06 2crr h ALA 113 Ca 0.39 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.28 2crr h ALA 113 Cb 0.60 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.37 2crr h ALA 113 CO -0.83 -0.30 -0.54 0.28 0.00 0.00 0.00 179.25 177.86 2crr n VAL 114 N -4.97 -0.64 -0.36 0.00 0.31 -0.44 -0.11 118.33 112.12 2crr n VAL 114 Ca -0.05 2.39 -0.00 0.00 -0.01 0.00 0.00 64.34 66.67 2crr n VAL 114 Cb 0.18 -3.01 0.05 0.00 -0.91 0.00 0.00 33.84 30.16 2crr n VAL 114 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2crr h GLU 115 N 0.00 -0.02 0.52 5.55 4.22 -0.85 0.14 114.58 124.15 2crr h GLU 115 Ca 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.62 2crr h GLU 115 Cb 0.46 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.72 2crr h GLU 115 CO -0.95 -0.01 -0.25 0.74 -2.18 0.00 0.00 179.01 176.36 2crr h PHE 116 N -0.02 -0.65 -0.83 0.92 0.04 -0.79 -2.57 116.94 113.04 2crr h PHE 116 Ca 0.36 -0.02 0.17 0.00 2.80 0.00 0.00 57.97 61.28 2crr h PHE 116 Cb 0.61 0.22 -0.16 0.00 2.20 0.00 0.00 35.95 38.82 2crr h PHE 116 CO -0.83 -0.34 -0.21 0.34 -0.60 0.00 0.00 178.31 176.67 2crr n PHE 117 N -5.26 0.30 -0.22 -0.55 7.35 0.85 0.18 117.46 120.10 2crr n PHE 117 Ca -0.10 1.01 -0.08 0.00 -0.76 0.00 0.00 57.45 57.52 2crr n PHE 117 Cb 0.31 -0.98 0.03 0.00 0.35 0.00 0.00 39.48 39.19 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 1.26 0.68 -2.13 2.04 -1.03 0.13 117.51 118.45 2crr h ILE 118 Ca 0.40 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 2crr h ILE 118 Cb 0.61 0.70 0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2crr h ILE 118 CO -0.86 0.38 -0.32 0.03 0.00 0.00 0.00 178.15 177.38 2crr h ARG 119 N 0.95 -0.87 0.00 2.37 3.08 0.23 0.34 114.38 120.48 2crr h ARG 119 Ca 0.19 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2crr h ARG 119 Cb 0.43 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2crr h ARG 119 CO 0.01 -0.56 0.00 -0.44 -1.07 0.00 0.00 179.97 177.92 2crr h ASP 120 N -1.18 0.00 0.10 7.04 5.19 -0.24 2.03 116.42 129.37 2crr h ASP 120 Ca -0.09 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.07 2crr h ASP 120 Cb 0.72 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.23 2crr h ASP 120 CO 0.15 0.00 -1.28 0.50 -3.12 0.00 0.00 179.24 175.49 2crr h LYS 121 N 0.00 0.22 0.00 3.56 3.64 -0.54 -0.47 116.57 122.97 2crr h LYS 121 Ca 0.00 -0.38 -0.31 0.00 -1.27 0.00 0.00 60.65 58.69 2crr h LYS 121 Cb 0.19 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 2crr h LYS 121 CO 0.00 1.18 -2.03 0.66 -2.27 0.00 0.00 179.45 176.99 2crr n TYR 122 N -4.01 0.00 0.39 1.91 4.01 0.12 -3.22 117.16 116.37 2crr n TYR 122 Ca -0.24 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.32 2crr n TYR 122 Cb 0.86 -0.83 -0.09 0.00 -0.31 0.00 0.00 39.34 38.97 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 -1.00 -1.06 0.00 -0.72 4.81 0.31 -2.79 114.58 114.12 2crr h GLU 123 Ca -0.47 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2crr h GLU 123 Cb 1.41 0.24 0.00 0.00 0.63 0.00 0.00 28.75 31.03 2crr h GLU 123 CO -0.28 -0.71 0.00 0.87 -0.73 0.00 0.00 179.01 178.16 2crr h LYS 124 N -1.10 0.00 -2.79 1.92 1.79 -1.10 -3.47 116.57 111.82 2crr h LYS 124 Ca -0.10 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.00 2crr h LYS 124 Cb 0.88 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.49 2crr h LYS 124 CO 0.09 0.00 -0.45 1.63 -1.08 0.00 0.00 179.45 179.64 2crr n LYS 125 N -2.71 -1.74 -0.02 3.15 4.76 -1.06 -4.89 118.16 115.65 2crr n LYS 125 Ca 0.03 0.95 -0.05 0.00 -2.87 0.00 0.00 58.31 56.37 2crr n LYS 125 Cb 0.40 -5.54 -0.04 0.00 -1.84 0.00 0.00 35.03 28.02 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 -0.18 -1.65 1.97 1.57 -1.18 -0.57 116.57 116.52 2crr h LYS 126 Ca -0.43 0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.26 2crr h LYS 126 Cb 1.31 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.61 2crr h LYS 126 CO 0.53 -0.12 0.14 0.66 -0.57 0.00 0.00 179.45 180.09 2crr n TYR 127 N -3.62 0.52 -3.46 -1.35 4.02 -1.26 -4.85 117.16 107.17 2crr n TYR 127 Ca -0.02 -1.20 -0.38 0.00 -0.01 0.00 0.00 57.90 56.29 2crr n TYR 127 Cb 0.13 -0.59 -0.09 0.00 -0.02 0.00 0.00 39.34 38.77 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 -0.61 3.27 -1.15 -0.72 5.04 -0.22 -3.89 117.35 119.07 2crr s TYR 128 Ca 0.10 0.37 -0.04 0.00 -2.44 0.00 0.00 57.07 55.07 2crr s TYR 128 Cb 0.08 -2.49 0.19 0.00 0.35 0.00 0.00 41.96 40.09 2crr s TYR 128 CO 0.00 -0.14 2.22 -3.47 -1.34 0.00 0.00 175.55 172.82 2crr n ASP 129 N 5.00 7.71 -0.34 4.32 2.03 -0.94 -4.77 116.55 129.55 2crr n ASP 129 Ca -0.10 -3.35 0.27 0.00 0.52 0.00 0.00 54.79 52.13 2crr n ASP 129 Cb 0.51 -1.28 0.52 0.00 -0.72 0.00 0.00 41.12 40.15 2crr n ASP 129 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2crr h LYS 130 N 4.30 0.24 -0.87 -0.67 2.10 -1.94 0.62 116.57 120.35 2crr h LYS 130 Ca 0.62 -0.01 0.25 0.00 -2.00 0.00 0.00 60.65 59.51 2crr h LYS 130 Cb 0.33 -0.05 -0.16 0.00 -0.90 0.00 0.00 32.23 31.44 2crr h LYS 130 CO 1.34 0.16 0.06 0.09 -2.00 0.00 0.00 179.45 179.09 2crr n ASN 131 N -5.03 -0.07 -0.22 7.07 4.13 -1.26 -0.01 115.26 119.87 2crr n ASN 131 Ca 0.33 1.48 -0.10 0.00 1.68 0.00 0.00 54.58 57.97 2crr n ASN 131 Cb 1.08 -0.55 -0.06 0.00 -1.54 0.00 0.00 39.78 38.71 2crr n ASN 131 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2crr h ALA 132 N 1.74 -0.47 -0.93 5.41 0.00 -1.28 0.11 119.26 123.84 2crr h ALA 132 Ca 0.55 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.56 2crr h ALA 132 Cb 1.17 1.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.98 2crr h ALA 132 CO -0.81 -0.91 0.61 0.82 0.00 0.00 0.00 179.25 178.97 2crr h ILE 133 N -0.24 1.21 -1.20 0.00 2.04 -0.62 -3.46 117.51 115.24 2crr h ILE 133 Ca 0.15 -0.42 -0.16 0.00 1.00 0.00 0.00 64.86 65.43 2crr h ILE 133 Cb 0.56 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 2crr h ILE 133 CO -0.71 0.22 -0.21 0.00 0.00 0.00 0.00 178.15 177.46 2crr n ALA 134 N -2.39 -0.25 -1.04 1.87 0.00 0.38 -4.88 120.51 114.20 2crr n ALA 134 Ca 0.11 0.07 -0.41 0.00 0.00 0.00 0.00 53.44 53.21 2crr n ALA 134 Cb 0.04 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 2crr n ALA 134 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2crr n ILE 135 N -4.00 0.00 -1.66 0.00 -0.00 -1.26 -4.59 119.36 107.85 2crr n ILE 135 Ca -0.09 0.00 -0.60 0.00 -0.00 0.00 0.00 62.75 62.06 2crr n ILE 135 Cb 0.57 -0.13 -0.08 0.00 -0.00 0.00 0.00 39.64 40.00 2crr n ILE 135 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2crr n SER 136 N 1.61 1.95 -3.92 4.38 3.41 -1.26 -4.78 113.62 115.01 2crr n SER 136 Ca 0.16 1.01 -0.40 0.00 -0.26 0.00 0.00 58.87 59.38 2crr n SER 136 Cb 0.02 -1.07 -0.01 0.00 -0.26 0.00 0.00 64.21 62.89 2crr n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crr n GLY 137 N 4.65 -2.22 3.77 5.00 0.00 -1.26 -4.87 105.19 110.26 2crr n GLY 137 Ca 0.31 0.08 -0.35 0.00 0.00 0.00 0.00 46.02 46.06 2crr n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crr s PRO 138 N -0.91 3.44 1.00 1.61 0.04 -1.26 -5.02 135.00 133.90 2crr s PRO 138 Ca 0.55 1.64 -0.12 0.00 0.04 0.00 0.00 61.00 63.11 2crr s PRO 138 Cb -0.66 -2.08 0.19 0.00 0.04 0.00 0.00 34.50 31.99 2crr s PRO 138 CO 0.55 -0.79 1.08 -1.12 0.04 0.00 0.00 177.00 176.76 2crr s SER 139 N -1.69 2.48 0.88 6.66 0.01 -1.26 -5.00 113.70 115.77 2crr s SER 139 Ca 0.71 1.56 -0.11 0.00 1.31 0.00 0.00 55.95 59.42 2crr s SER 139 Cb -0.25 -2.23 0.12 0.00 0.21 0.00 0.00 66.02 63.87 2crr s SER 139 CO 0.28 -3.27 1.09 -0.94 0.41 0.00 0.00 173.24 170.81 2crr s SER 140 N -3.03 3.66 0.00 2.44 1.04 -1.26 -5.32 113.70 111.23 2crr s SER 140 Ca 0.66 1.52 0.00 0.00 0.48 0.00 0.00 55.95 58.61 2crr s SER 140 Cb -0.21 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.70 2crr s SER 140 CO 0.60 -2.53 0.00 0.61 0.98 0.00 0.00 173.24 172.90