#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crp h SER 2 N 0.00 0.00 -3.66 1.61 0.87 -2.14 -3.46 113.55 106.77 2crp h SER 2 Ca 0.00 -0.65 -0.67 0.00 -1.23 0.00 0.00 61.79 59.23 2crp h SER 2 Cb 0.00 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 61.71 2crp h SER 2 CO 0.00 1.12 -0.76 -0.55 -0.53 0.00 0.00 176.83 176.11 2crp s SER 3 N -6.36 4.07 0.00 6.23 0.15 -1.26 -5.13 113.70 111.40 2crp s SER 3 Ca -0.21 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2crp s SER 3 Cb 0.01 -1.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.07 2crp s SER 3 CO 0.56 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.86 2crp n GLY 4 N 2.91 2.70 3.48 9.45 0.00 -1.26 -5.14 105.19 117.32 2crp n GLY 4 Ca -0.18 -2.11 -0.00 0.00 0.00 0.00 0.00 46.02 43.73 2crp n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crp s SER 5 N -0.85 -1.15 -0.15 1.61 0.01 -1.26 -5.16 113.70 106.75 2crp s SER 5 Ca 0.00 1.33 -0.30 0.00 1.31 0.00 0.00 55.95 58.29 2crp s SER 5 Cb 0.00 2.20 0.13 0.00 0.21 0.00 0.00 66.02 68.56 2crp s SER 5 CO 0.00 -0.23 0.99 -0.44 0.41 0.00 0.00 173.24 173.97 2crp s SER 6 N 2.87 -0.36 -0.23 2.44 0.01 -1.26 -5.16 113.70 112.00 2crp s SER 6 Ca 0.02 0.36 -0.03 0.00 1.31 0.00 0.00 55.95 57.60 2crp s SER 6 Cb -0.13 0.31 0.13 0.00 0.21 0.00 0.00 66.02 66.53 2crp s SER 6 CO -0.19 -0.37 0.38 -0.83 0.41 0.00 0.00 173.24 172.65 2crp s GLY 7 N -1.26 -0.41 0.31 3.44 0.00 -1.26 -5.16 107.32 102.98 2crp s GLY 7 Ca -0.01 1.02 -0.05 0.00 0.00 0.00 0.00 44.72 45.68 2crp s GLY 7 CO 0.00 2.62 0.27 -1.55 0.00 0.00 0.00 173.10 174.44 2crp n PRO 8 N 5.37 -1.56 -1.97 2.90 -0.04 -1.26 -5.07 135.00 133.38 2crp n PRO 8 Ca -0.04 -0.43 -0.20 0.00 -0.04 0.00 0.00 63.50 62.78 2crp n PRO 8 Cb 0.50 -0.41 0.12 0.00 -0.04 0.00 0.00 33.50 33.67 2crp n PRO 8 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2crp n GLU 9 N -2.34 -0.32 -4.39 0.54 4.71 -1.26 -5.12 120.64 112.46 2crp n GLU 9 Ca 0.04 -2.01 -0.25 0.00 -0.01 0.00 0.00 57.16 54.93 2crp n GLU 9 Cb 0.15 -0.72 -0.12 0.00 -1.01 0.00 0.00 31.44 29.74 2crp n GLU 9 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 2crp s LYS 10 N -4.82 1.43 0.13 3.49 -2.85 -1.26 -5.15 119.74 110.70 2crp s LYS 10 Ca 0.56 -1.47 -0.02 0.00 -1.00 0.00 0.00 55.97 54.03 2crp s LYS 10 Cb -0.03 -1.67 0.03 0.00 -2.06 0.00 0.00 37.83 34.10 2crp s LYS 10 CO 0.38 0.36 0.11 -0.35 0.10 0.00 0.00 175.35 175.95 2crp n PRO 11 N 0.31 -1.24 -3.94 1.78 -0.04 -1.26 -5.03 135.00 125.59 2crp n PRO 11 Ca -0.13 -0.18 -0.35 0.00 -0.04 0.00 0.00 63.50 62.80 2crp n PRO 11 Cb 0.56 -0.17 -0.11 0.00 -0.04 0.00 0.00 33.50 33.74 2crp n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2crp s ALA 12 N -2.98 3.24 -0.07 0.55 0.00 -1.26 -5.07 121.76 116.17 2crp s ALA 12 Ca 0.07 -0.94 -0.32 0.00 0.00 0.00 0.00 51.96 50.77 2crp s ALA 12 Cb -0.01 -1.96 0.12 0.00 0.00 0.00 0.00 23.12 21.28 2crp s ALA 12 CO 0.06 -0.14 1.19 0.21 0.00 0.00 0.00 175.76 177.08 2crp s LYS 13 N 0.98 0.47 0.19 0.00 2.47 -1.26 -5.14 119.74 117.45 2crp s LYS 13 Ca 0.03 -0.22 -0.16 0.00 -1.56 0.00 0.00 55.97 54.06 2crp s LYS 13 Cb -0.14 0.18 -0.10 0.00 -1.46 0.00 0.00 37.83 36.31 2crp s LYS 13 CO 0.03 -0.21 0.19 -2.37 0.16 0.00 0.00 175.35 173.15 2crp n THR 14 N -0.31 0.84 0.00 3.43 5.66 -1.26 -4.91 114.28 117.74 2crp n THR 14 Ca -0.05 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 2crp n THR 14 Cb 0.61 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 2crp n THR 14 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 2crp n GLN 15 N 0.75 0.00 0.00 1.09 7.27 -1.26 -5.04 117.38 120.19 2crp n GLN 15 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.16 2crp n GLN 15 Cb 0.21 -0.67 0.00 0.00 2.41 0.00 0.00 30.24 32.19 2crp n GLN 15 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2crp n LYS 16 N -2.21 0.00 -3.90 3.69 5.02 -1.26 -5.13 118.16 114.36 2crp n LYS 16 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2crp n LYS 16 Cb 0.28 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.19 2crp n LYS 16 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2crp s THR 17 N -0.68 0.09 0.25 -0.18 2.01 -1.26 -4.86 115.64 111.02 2crp s THR 17 Ca 0.00 -0.78 0.11 0.00 0.31 0.00 0.00 61.69 61.33 2crp s THR 17 Cb 0.00 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 72.04 2crp s THR 17 CO 0.00 -0.43 -0.15 -0.55 -0.69 0.00 0.00 174.62 172.80 2crp s SER 18 N -1.47 3.84 0.11 3.53 0.15 -1.26 -4.97 113.70 113.63 2crp s SER 18 Ca -0.14 -0.88 -0.34 0.00 0.70 0.00 0.00 55.95 55.29 2crp s SER 18 Cb -0.08 -0.45 -0.13 0.00 -1.71 0.00 0.00 66.02 63.65 2crp s SER 18 CO 0.00 0.05 1.54 0.25 1.20 0.00 0.00 173.24 176.29 2crp h LEU 19 N 2.39 -1.69 -0.93 3.45 7.12 -1.86 0.60 115.31 124.39 2crp h LEU 19 Ca -0.43 0.20 0.00 0.00 0.13 0.00 0.00 57.88 57.78 2crp h LEU 19 Cb 1.24 0.65 0.00 0.00 -0.53 0.00 0.00 40.66 42.03 2crp h LEU 19 CO 0.58 -0.49 0.14 -0.67 -0.13 0.00 0.00 178.44 177.87 2crp n ASP 20 N -5.39 0.36 -0.08 1.25 2.03 -1.26 -2.13 116.55 111.34 2crp n ASP 20 Ca -0.06 0.61 -0.08 0.00 0.52 0.00 0.00 54.79 55.77 2crp n ASP 20 Cb 0.38 -0.62 -0.04 0.00 -0.72 0.00 0.00 41.12 40.12 2crp n ASP 20 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2crp h GLU 21 N 0.00 0.00 -1.70 -0.67 4.57 -0.37 -3.32 114.58 113.10 2crp h GLU 21 Ca 0.00 0.00 0.52 0.00 -1.18 0.00 0.00 59.36 58.70 2crp h GLU 21 Cb 0.28 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.76 2crp h GLU 21 CO 0.00 0.22 1.18 0.00 -1.18 0.00 0.00 179.01 179.23 2crp h ALA 22 N -0.88 3.40 -0.14 2.92 0.00 -0.04 1.57 119.26 126.08 2crp h ALA 22 Ca -0.08 0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.63 2crp h ALA 22 Cb 0.66 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.66 2crp h ALA 22 CO -0.05 -2.01 -0.81 -0.07 0.00 0.00 0.00 179.25 176.31 2crp h LEU 23 N 0.01 0.94 -2.25 0.00 3.38 -1.70 -3.06 115.31 112.63 2crp h LEU 23 Ca 0.90 -0.63 0.02 0.00 0.09 0.00 0.00 57.88 58.26 2crp h LEU 23 Cb 3.32 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 43.79 2crp h LEU 23 CO -0.21 1.43 0.25 1.56 0.09 0.00 0.00 178.44 181.56 2crp h GLN 24 N 0.52 0.00 0.00 1.13 4.20 0.22 0.33 115.11 121.51 2crp h GLN 24 Ca -0.06 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 2crp h GLN 24 Cb 1.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.21 2crp h GLN 24 CO 0.17 0.00 -0.18 -1.49 -0.67 0.00 0.00 178.83 176.65 2crp h TRP 25 N 0.00 0.00 -0.07 2.96 6.55 -1.40 -2.96 115.95 121.03 2crp h TRP 25 Ca 0.03 0.00 -0.19 0.00 0.95 0.00 0.00 58.89 59.67 2crp h TRP 25 Cb 0.53 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.83 2crp h TRP 25 CO 0.00 0.18 -0.76 0.00 -1.05 0.00 0.00 178.44 176.81 2crp h ARG 26 N 0.00 0.43 0.35 0.49 3.08 -0.50 -3.31 114.38 114.92 2crp h ARG 26 Ca -0.00 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 2crp h ARG 26 Cb 0.70 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 2crp h ARG 26 CO 0.02 1.00 -0.38 0.22 -1.07 0.00 0.00 179.97 179.77 2crp h ASP 27 N 0.28 -1.04 -3.60 7.04 3.58 -1.58 -3.43 116.42 117.68 2crp h ASP 27 Ca -0.04 0.09 -0.38 0.00 0.42 0.00 0.00 57.03 57.13 2crp h ASP 27 Cb 1.35 0.35 -0.32 0.00 1.72 0.00 0.00 39.33 42.43 2crp h ASP 27 CO 0.13 -0.52 -0.76 -0.55 -2.88 0.00 0.00 179.24 174.66 2crp s SER 28 N -4.58 0.78 0.39 2.28 0.15 -1.24 -5.02 113.70 106.45 2crp s SER 28 Ca -0.17 -0.11 0.15 0.00 0.70 0.00 0.00 55.95 56.52 2crp s SER 28 Cb 0.06 -0.31 1.00 0.00 -1.71 0.00 0.00 66.02 65.05 2crp s SER 28 CO 0.63 -0.03 1.85 0.25 1.20 0.00 0.00 173.24 177.14 2crp h LEU 29 N 6.86 0.50 0.26 3.45 5.85 -1.84 -2.25 115.31 128.14 2crp h LEU 29 Ca -0.37 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2crp h LEU 29 Cb 1.16 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 2crp h LEU 29 CO 0.48 0.20 -0.50 0.44 -0.34 0.00 0.00 178.44 178.73 2crp h ASP 30 N 0.50 -1.45 -1.44 1.25 3.32 -1.95 -0.91 116.42 115.74 2crp h ASP 30 Ca 0.48 0.14 0.48 0.00 0.02 0.00 0.00 57.03 58.15 2crp h ASP 30 Cb 1.06 0.52 -0.12 0.00 0.22 0.00 0.00 39.33 41.01 2crp h ASP 30 CO -0.21 -0.58 0.95 0.29 -1.72 0.00 0.00 179.24 177.97 2crp n LYS 31 N -5.36 -0.03 0.09 3.56 5.02 -0.85 -0.20 118.16 120.39 2crp n LYS 31 Ca -0.09 1.18 -0.04 0.00 -2.02 0.00 0.00 58.31 57.34 2crp n LYS 31 Cb 0.41 -2.40 -0.02 0.00 -0.02 0.00 0.00 35.03 33.01 2crp n LYS 31 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2crp h LEU 32 N 0.00 -0.22 -0.67 -0.35 5.85 -1.24 -3.02 115.31 115.67 2crp h LEU 32 Ca 0.86 0.01 0.14 0.00 0.84 0.00 0.00 57.88 59.73 2crp h LEU 32 Cb 2.91 0.06 -0.11 0.00 0.37 0.00 0.00 40.66 43.89 2crp h LEU 32 CO -0.37 0.01 0.05 -0.07 -0.34 0.00 0.00 178.44 177.71 2crp h LEU 33 N -0.58 -0.21 -0.63 2.25 3.38 -0.35 -0.25 115.31 118.92 2crp h LEU 33 Ca -0.03 0.16 0.13 0.00 0.09 0.00 0.00 57.88 58.23 2crp h LEU 33 Cb 0.20 0.26 -0.10 0.00 0.09 0.00 0.00 40.66 41.11 2crp h LEU 33 CO 0.04 -0.10 0.07 1.56 0.09 0.00 0.00 178.44 180.10 2crp h GLN 34 N 0.16 0.18 -6.41 1.13 1.08 -0.71 -3.40 115.11 107.14 2crp h GLN 34 Ca 0.36 -0.01 -0.54 0.00 -1.45 0.00 0.00 58.65 57.01 2crp h GLN 34 Cb 0.60 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2crp h GLN 34 CO -0.54 0.12 0.70 1.21 -0.95 0.00 0.00 178.83 179.37 2crp s ASN 35 N -5.25 6.97 0.12 1.46 3.84 -0.11 -4.94 114.94 117.03 2crp s ASN 35 Ca -0.13 2.03 -0.22 0.00 0.21 0.00 0.00 52.86 54.75 2crp s ASN 35 Cb 0.19 -2.57 -0.07 0.00 -0.55 0.00 0.00 41.25 38.26 2crp s ASN 35 CO 0.74 -0.60 1.70 -1.13 -2.79 0.00 0.00 177.10 175.02 2crp h ASN 36 N 7.29 -0.27 0.20 -4.21 -1.24 -1.81 0.24 115.58 115.78 2crp h ASN 36 Ca -0.39 0.05 0.01 0.00 0.71 0.00 0.00 56.30 56.69 2crp h ASN 36 Cb 1.19 0.13 -0.04 0.00 0.73 0.00 0.00 38.32 40.33 2crp h ASN 36 CO 0.86 -0.12 -0.42 0.22 -1.29 0.00 0.00 177.43 176.69 2crp h TYR 37 N -0.11 -1.17 -0.81 0.67 3.20 -1.90 0.22 116.97 117.08 2crp h TYR 37 Ca 0.06 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.98 2crp h TYR 37 Cb 0.20 0.48 -0.05 0.00 1.54 0.00 0.00 36.73 38.91 2crp h TYR 37 CO -0.19 -0.53 0.52 0.78 -1.64 0.00 0.00 178.16 177.10 2crp h GLY 38 N -0.70 1.15 0.76 1.82 0.00 -1.73 -2.44 103.07 101.93 2crp h GLY 38 Ca 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 2crp h GLY 38 CO -0.19 0.36 -0.37 -2.00 0.00 0.00 0.00 176.54 174.34 2crp h LEU 39 N 1.04 -0.86 -0.85 3.11 5.85 -0.08 0.40 115.31 123.91 2crp h LEU 39 Ca 0.31 0.03 0.18 0.00 0.84 0.00 0.00 57.88 59.24 2crp h LEU 39 Cb -0.04 0.22 -0.16 0.00 0.37 0.00 0.00 40.66 41.05 2crp h LEU 39 CO -0.09 -0.59 -0.18 0.00 -0.34 0.00 0.00 178.44 177.24 2crp h ALA 40 N -1.47 0.63 -0.27 1.25 0.00 -0.55 0.19 119.26 119.04 2crp h ALA 40 Ca -0.10 0.33 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2crp h ALA 40 Cb 0.78 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2crp h ALA 40 CO 0.17 -0.41 -0.13 0.77 0.00 0.00 0.00 179.25 179.65 2crp h SER 41 N 0.01 0.57 -0.94 0.00 0.02 -1.37 -2.91 113.55 108.94 2crp h SER 41 Ca 0.42 -0.41 0.14 0.00 -0.84 0.00 0.00 61.79 61.10 2crp h SER 41 Cb 0.68 -0.16 -0.09 0.00 0.14 0.00 0.00 62.40 62.97 2crp h SER 41 CO -0.86 0.85 0.56 0.15 -1.14 0.00 0.00 176.83 176.39 2crp h PHE 42 N 0.29 1.00 0.47 3.45 3.57 0.26 -1.75 116.94 124.23 2crp h PHE 42 Ca 0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2crp h PHE 42 Cb 0.63 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.07 2crp h PHE 42 CO 0.06 0.33 -0.22 0.87 -2.23 0.00 0.00 178.31 177.12 2crp h LYS 43 N 0.83 -0.60 -1.13 1.11 1.57 -0.73 -2.93 116.57 114.68 2crp h LYS 43 Ca 0.49 0.04 0.38 0.00 -1.87 0.00 0.00 60.65 59.69 2crp h LYS 43 Cb 0.59 0.14 -0.14 0.00 0.08 0.00 0.00 32.23 32.90 2crp h LYS 43 CO -0.31 -0.40 0.69 1.03 -0.57 0.00 0.00 179.45 179.89 2crp h SER 44 N -0.70 0.37 -0.90 0.86 0.87 -1.31 0.85 113.55 113.59 2crp h SER 44 Ca -0.06 0.17 0.04 0.00 -1.23 0.00 0.00 61.79 60.70 2crp h SER 44 Cb 0.48 0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.52 2crp h SER 44 CO 0.10 -0.18 0.58 0.15 -0.53 0.00 0.00 176.83 176.96 2crp h PHE 45 N 0.19 1.09 -0.01 2.24 3.57 -1.18 -2.82 116.94 120.02 2crp h PHE 45 Ca 0.77 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 62.30 2crp h PHE 45 Cb 2.10 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 40.47 2crp h PHE 45 CO -0.01 0.62 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.62 2crp h LEU 46 N 1.12 0.02 -0.99 0.59 4.07 0.88 -3.11 115.31 117.89 2crp h LEU 46 Ca 0.36 -0.42 0.40 0.00 0.08 0.00 0.00 57.88 58.30 2crp h LEU 46 Cb 0.02 -0.01 -0.18 0.00 1.08 0.00 0.00 40.66 41.57 2crp h LEU 46 CO -0.12 0.43 0.48 0.29 -1.08 0.00 0.00 178.44 178.44 2crp n LYS 47 N -4.88 -0.06 -0.14 1.13 5.02 -0.86 0.15 118.16 118.52 2crp n LYS 47 Ca -0.08 1.38 -0.11 0.00 -2.02 0.00 0.00 58.31 57.48 2crp n LYS 47 Cb 0.22 -2.45 -0.02 0.00 -0.02 0.00 0.00 35.03 32.77 2crp n LYS 47 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2crp h SER 48 N 0.00 0.76 0.35 4.39 0.87 -1.47 -2.60 113.55 115.85 2crp h SER 48 Ca 0.82 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 2crp h SER 48 Cb 2.12 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.87 2crp h SER 48 CO -0.78 0.93 -0.04 -0.62 -0.53 0.00 0.00 176.83 175.79 2crp n GLU 49 N -4.36 0.69 -2.41 2.24 -0.58 0.39 -4.90 120.64 111.72 2crp n GLU 49 Ca -0.01 -0.12 -0.19 0.00 -0.42 0.00 0.00 57.16 56.42 2crp n GLU 49 Cb 0.35 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.71 2crp n GLU 49 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2crp n PHE 50 N -1.05 -0.97 -1.72 -0.32 3.72 0.21 -4.88 117.46 112.46 2crp n PHE 50 Ca 0.17 0.04 0.05 0.00 -0.05 0.00 0.00 57.45 57.66 2crp n PHE 50 Cb 0.23 -3.71 0.18 0.00 -0.94 0.00 0.00 39.48 35.24 2crp n PHE 50 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2crp n SER 51 N -1.62 1.70 0.22 4.37 7.64 -1.08 -4.71 113.62 120.14 2crp n SER 51 Ca -0.21 -3.68 0.11 0.00 1.01 0.00 0.00 58.87 56.09 2crp n SER 51 Cb 0.66 -0.50 0.37 0.00 -1.01 0.00 0.00 64.21 63.73 2crp n SER 51 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2crp h GLU 52 N 1.03 0.00 -0.92 1.43 4.81 -1.90 -3.17 114.58 115.85 2crp h GLU 52 Ca -0.02 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.38 2crp h GLU 52 Cb 1.12 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.42 2crp h GLU 52 CO 0.03 0.18 0.59 1.05 -0.73 0.00 0.00 179.01 180.13 2crp h GLU 53 N 0.00 0.64 -0.97 1.92 4.11 -1.87 0.39 114.58 118.81 2crp h GLU 53 Ca -0.00 -0.04 0.06 0.00 0.07 0.00 0.00 59.36 59.45 2crp h GLU 53 Cb 0.87 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 2crp h GLU 53 CO 0.02 0.42 0.63 -0.91 0.07 0.00 0.00 179.01 179.25 2crp h ASN 54 N 0.66 1.00 0.00 3.06 4.21 -1.82 -2.70 115.58 120.00 2crp h ASN 54 Ca 0.48 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 58.00 2crp h ASN 54 Cb 0.84 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 2crp h ASN 54 CO -0.24 0.65 -0.00 0.25 -1.29 0.00 0.00 177.43 176.80 2crp h LEU 55 N 1.14 -0.01 -0.94 1.61 6.46 -1.16 -3.30 115.31 119.12 2crp h LEU 55 Ca 0.41 -0.67 0.16 0.00 -0.12 0.00 0.00 57.88 57.66 2crp h LEU 55 Cb 0.14 0.00 -0.16 0.00 -0.73 0.00 0.00 40.66 39.91 2crp h LEU 55 CO -0.15 0.67 -0.35 -0.33 -0.62 0.00 0.00 178.44 177.65 2crp h GLU 56 N -0.68 -0.02 -0.99 1.25 4.39 -1.06 0.99 114.58 118.46 2crp h GLU 56 Ca -0.00 0.00 0.21 0.00 0.34 0.00 0.00 59.36 59.91 2crp h GLU 56 Cb 0.67 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.23 2crp h GLU 56 CO 0.00 -0.01 0.62 0.35 -1.16 0.00 0.00 179.01 178.81 2crp h PHE 57 N -0.02 0.85 0.64 4.33 3.57 -1.57 -0.85 116.94 123.88 2crp h PHE 57 Ca 0.35 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.85 2crp h PHE 57 Cb 0.61 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 39.10 2crp h PHE 57 CO -0.82 0.16 -0.31 2.35 -2.23 0.00 0.00 178.31 177.47 2crp h TRP 58 N 0.58 -0.80 -0.81 0.41 7.01 0.91 -1.66 115.95 121.60 2crp h TRP 58 Ca 0.56 -0.02 0.19 0.00 2.11 0.00 0.00 58.89 61.74 2crp h TRP 58 Cb 1.12 0.26 -0.13 0.00 -2.10 0.00 0.00 29.16 28.32 2crp h TRP 58 CO -0.00 -0.50 0.19 0.82 -2.79 0.00 0.00 178.44 176.16 2crp h ILE 59 N -1.22 0.41 -0.44 2.65 2.04 -0.75 0.69 117.51 120.89 2crp h ILE 59 Ca -0.09 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 2crp h ILE 59 Cb 0.66 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2crp h ILE 59 CO 0.14 0.04 0.20 0.00 0.00 0.00 0.00 178.15 178.53 2crp h ALA 60 N 1.70 0.58 -0.34 1.87 0.00 -1.19 -2.58 119.26 119.29 2crp h ALA 60 Ca 0.48 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.32 2crp h ALA 60 Cb 0.89 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 2crp h ALA 60 CO -0.59 0.16 -0.43 0.00 0.00 0.00 0.00 179.25 178.39 2crp h GLU 62 N -0.37 0.31 -0.00 0.00 4.39 -1.41 0.11 114.58 117.61 2crp h GLU 62 Ca 0.12 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2crp h GLU 62 Cb 0.59 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2crp h GLU 62 CO -0.53 0.20 0.01 0.22 -1.16 0.00 0.00 179.01 177.75 2crp h ASP 63 N 0.32 0.00 0.64 1.42 1.82 -0.84 -0.86 116.42 118.92 2crp h ASP 63 Ca 0.18 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.55 2crp h ASP 63 Cb 0.15 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.14 2crp h ASP 63 CO -0.17 0.00 -1.38 0.22 -1.61 0.00 0.00 179.24 176.30 2crp h TYR 64 N 0.00 0.23 -0.28 0.28 5.03 0.11 -3.32 116.97 119.03 2crp h TYR 64 Ca 0.00 -0.17 -0.09 0.00 2.58 0.00 0.00 58.73 61.05 2crp h TYR 64 Cb 0.02 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.28 2crp h TYR 64 CO 0.00 1.19 -0.22 0.87 -1.32 0.00 0.00 178.16 178.67 2crp h LYS 65 N 0.03 0.52 -0.97 1.82 1.79 -0.33 -2.48 116.57 116.95 2crp h LYS 65 Ca -0.17 -0.19 -0.04 0.00 -2.18 0.00 0.00 60.65 58.07 2crp h LYS 65 Cb 1.94 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 32.53 2crp h LYS 65 CO 0.14 0.71 0.04 0.36 -1.08 0.00 0.00 179.45 179.63 2crp n LYS 66 N -4.13 1.37 -2.97 3.15 2.85 -1.03 -4.75 118.16 112.64 2crp n LYS 66 Ca -0.00 -0.43 -0.44 0.00 -1.05 0.00 0.00 58.31 56.39 2crp n LYS 66 Cb 0.39 -1.39 -0.04 0.00 -0.65 0.00 0.00 35.03 33.34 2crp n LYS 66 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2crp s ILE 67 N -0.87 4.61 -0.67 0.58 1.01 -0.94 -4.87 121.20 120.05 2crp s ILE 67 Ca 0.08 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.90 2crp s ILE 67 Cb 0.06 -4.63 0.19 0.00 0.01 0.00 0.00 42.46 38.10 2crp s ILE 67 CO 0.02 -1.34 0.89 2.29 0.00 0.00 0.00 174.94 176.80 2crp n LYS 68 N 6.91 1.82 -4.41 2.79 -0.00 -1.26 -4.72 118.16 119.30 2crp n LYS 68 Ca -0.01 -0.76 -0.34 0.00 -0.00 0.00 0.00 58.31 57.21 2crp n LYS 68 Cb 0.45 -1.61 -0.12 0.00 -0.00 0.00 0.00 35.03 33.75 2crp n LYS 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2crp s SER 69 N -0.06 4.80 0.25 -5.58 0.15 -1.26 -4.99 113.70 107.01 2crp s SER 69 Ca 0.13 -0.13 0.23 0.00 0.70 0.00 0.00 55.95 56.89 2crp s SER 69 Cb 0.10 -1.78 0.97 0.00 -1.71 0.00 0.00 66.02 63.61 2crp s SER 69 CO 0.04 0.17 1.70 -0.81 1.20 0.00 0.00 173.24 175.54 2crp n PRO 70 N 3.51 0.19 -0.14 5.44 -0.04 -1.26 -1.84 135.00 140.86 2crp n PRO 70 Ca -0.17 0.42 -0.28 0.00 -0.04 0.00 0.00 63.50 63.42 2crp n PRO 70 Cb 0.52 -1.86 -0.10 0.00 -0.04 0.00 0.00 33.50 32.02 2crp n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2crp n ALA 71 N -1.77 1.23 -0.27 0.55 0.00 -1.26 -4.39 120.51 114.61 2crp n ALA 71 Ca 0.02 -1.11 -0.05 0.00 0.00 0.00 0.00 53.44 52.30 2crp n ALA 71 Cb 0.22 0.11 0.06 0.00 0.00 0.00 0.00 19.45 19.84 2crp n ALA 71 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2crp h LYS 72 N -0.86 0.99 -1.01 0.00 1.63 -1.96 0.36 116.57 115.72 2crp h LYS 72 Ca -0.69 -0.08 0.23 0.00 -0.85 0.00 0.00 60.65 59.25 2crp h LYS 72 Cb 1.66 -0.21 -0.12 0.00 -0.60 0.00 0.00 32.23 32.96 2crp h LYS 72 CO -0.38 0.69 0.60 0.52 -3.45 0.00 0.00 179.45 177.43 2crp h MET 73 N 1.00 0.61 0.00 1.90 2.86 -1.60 0.41 114.93 120.11 2crp h MET 73 Ca 0.27 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.82 2crp h MET 73 Cb -0.05 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 2crp h MET 73 CO -0.05 0.41 -0.62 0.00 1.06 0.00 0.00 176.91 177.70 2crp h ALA 74 N 1.70 0.05 -0.03 6.32 0.00 -1.63 -3.30 119.26 122.39 2crp h ALA 74 Ca 0.62 -0.62 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2crp h ALA 74 Cb 1.13 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 19.39 2crp h ALA 74 CO -0.44 0.51 -0.52 0.93 0.00 0.00 0.00 179.25 179.73 2crp h GLU 75 N -1.00 -0.62 -0.63 0.00 4.39 -0.18 -1.96 114.58 114.58 2crp h GLU 75 Ca -0.07 0.04 0.13 0.00 0.34 0.00 0.00 59.36 59.80 2crp h GLU 75 Cb 0.64 0.14 -0.12 0.00 -0.10 0.00 0.00 28.75 29.32 2crp h GLU 75 CO -0.04 -0.42 -0.14 -0.22 -1.16 0.00 0.00 179.01 177.03 2crp h LYS 76 N -0.65 0.01 -0.99 2.33 1.63 -0.37 -0.70 116.57 117.84 2crp h LYS 76 Ca 0.02 -0.00 0.19 0.00 -0.85 0.00 0.00 60.65 60.01 2crp h LYS 76 Cb 0.71 -0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 32.15 2crp h LYS 76 CO -0.37 0.01 -0.26 0.00 -3.45 0.00 0.00 179.45 175.37 2crp n ALA 77 N -3.03 0.20 -0.08 5.00 0.00 -0.75 0.17 120.51 122.02 2crp n ALA 77 Ca 0.08 1.07 -0.01 0.00 0.00 0.00 0.00 53.44 54.58 2crp n ALA 77 Cb 0.33 -0.63 0.26 0.00 0.00 0.00 0.00 19.45 19.42 2crp n ALA 77 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2crp h LYS 78 N 0.00 0.70 0.29 0.00 2.10 -1.01 -2.71 116.57 115.95 2crp h LYS 78 Ca 0.46 -0.12 -0.00 0.00 -2.00 0.00 0.00 60.65 58.99 2crp h LYS 78 Cb 0.70 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.90 2crp h LYS 78 CO -1.01 0.62 -0.23 1.96 -2.00 0.00 0.00 179.45 178.79 2crp h GLN 79 N 0.68 -0.51 -0.12 0.07 4.20 0.19 0.29 115.11 119.91 2crp h GLN 79 Ca 0.16 0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.94 2crp h GLN 79 Cb 0.22 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 2crp h GLN 79 CO -0.01 -0.34 0.10 0.82 -0.67 0.00 0.00 178.83 178.73 2crp h ILE 80 N -0.53 0.83 0.03 2.54 2.04 -1.18 -1.95 117.51 119.28 2crp h ILE 80 Ca -0.02 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 2crp h ILE 80 Cb 0.47 0.93 0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2crp h ILE 80 CO -0.01 0.00 -0.40 0.22 0.00 0.00 0.00 178.15 177.96 2crp h TYR 81 N 0.00 0.35 0.00 1.37 5.03 -1.03 -0.23 116.97 122.46 2crp h TYR 81 Ca 0.06 -0.21 0.00 0.00 2.58 0.00 0.00 58.73 61.16 2crp h TYR 81 Cb 0.25 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.50 2crp h TYR 81 CO 0.00 1.06 0.00 0.39 -1.32 0.00 0.00 178.16 178.29 2crp n GLU 82 N -4.38 0.05 -0.09 1.82 -0.58 0.96 0.21 120.64 118.62 2crp n GLU 82 Ca -0.11 0.29 -0.18 0.00 -0.42 0.00 0.00 57.16 56.74 2crp n GLU 82 Cb 0.60 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.91 2crp n GLU 82 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2crp n GLU 83 N -1.42 0.44 -0.12 3.49 2.13 -0.78 -4.54 120.64 119.83 2crp n GLU 83 Ca 0.03 0.19 -0.22 0.00 0.66 0.00 0.00 57.16 57.82 2crp n GLU 83 Cb 0.09 -1.24 -0.07 0.00 0.27 0.00 0.00 31.44 30.49 2crp n GLU 83 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2crp n PHE 84 N -4.02 0.00 0.96 4.31 3.72 -0.10 -3.75 117.46 118.57 2crp n PHE 84 Ca -0.33 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 2crp n PHE 84 Cb 0.69 -0.79 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 2crp n PHE 84 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2crp n ILE 85 N -4.27 0.58 -4.07 4.37 2.08 0.64 -4.12 119.36 114.57 2crp n ILE 85 Ca -0.39 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 62.61 2crp n ILE 85 Cb 0.74 -0.78 -0.07 0.00 -0.75 0.00 0.00 39.64 38.78 2crp n ILE 85 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2crp s GLN 86 N -0.38 2.89 0.18 0.38 0.74 0.57 -4.64 119.66 119.40 2crp s GLN 86 Ca 0.00 -0.66 -0.33 0.00 0.05 0.00 0.00 55.36 54.41 2crp s GLN 86 Cb 0.00 -2.74 -0.13 0.00 1.10 0.00 0.00 33.01 31.24 2crp s GLN 86 CO 0.00 0.58 1.64 2.41 -0.55 0.00 0.00 175.29 179.37 2crp n THR 87 N 0.59 0.01 -2.83 -0.34 -1.04 -1.26 -1.43 114.28 107.97 2crp n THR 87 Ca -0.09 -0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.79 2crp n THR 87 Cb 0.52 -1.71 -0.01 0.00 -1.82 0.00 0.00 70.33 67.31 2crp n THR 87 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2crp n GLU 88 N 3.68 -2.67 -0.79 -2.82 1.02 -1.26 -4.86 120.64 112.95 2crp n GLU 88 Ca 0.17 0.32 -0.33 0.00 -0.02 0.00 0.00 57.16 57.30 2crp n GLU 88 Cb 0.31 -4.91 0.13 0.00 -0.02 0.00 0.00 31.44 26.95 2crp n GLU 88 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2crp n ALA 89 N -2.76 -2.35 0.12 0.62 0.00 -0.51 -4.90 120.51 110.71 2crp n ALA 89 Ca -0.04 -0.60 -0.02 0.00 0.00 0.00 0.00 53.44 52.78 2crp n ALA 89 Cb 0.54 -1.85 0.22 0.00 0.00 0.00 0.00 19.45 18.36 2crp n ALA 89 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2crp h PRO 90 N -1.59 0.15 0.00 0.00 0.13 -1.90 -3.21 132.00 125.58 2crp h PRO 90 Ca -0.43 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2crp h PRO 90 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2crp h PRO 90 CO 0.35 0.60 -0.06 1.63 -0.23 0.00 0.00 178.00 180.28 2crp n LYS 91 N -3.97 1.44 -1.48 0.86 5.02 -1.25 -5.04 118.16 113.75 2crp n LYS 91 Ca -0.02 -2.05 -0.43 0.00 -2.02 0.00 0.00 58.31 53.79 2crp n LYS 91 Cb 0.51 -1.22 -0.13 0.00 -0.02 0.00 0.00 35.03 34.17 2crp n LYS 91 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2crp n GLU 92 N -0.99 0.13 -0.31 1.97 2.13 -1.22 -4.67 120.64 117.68 2crp n GLU 92 Ca 0.10 0.01 -0.29 0.00 0.66 0.00 0.00 57.16 57.63 2crp n GLU 92 Cb 0.56 -1.71 0.28 0.00 0.27 0.00 0.00 31.44 30.83 2crp n GLU 92 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2crp n VAL 93 N 7.43 0.00 -2.99 6.31 0.24 -1.26 -4.91 118.33 123.15 2crp n VAL 93 Ca 0.61 -0.12 -0.44 0.00 -2.04 0.00 0.00 64.34 62.36 2crp n VAL 93 Cb 0.08 -0.95 -0.04 0.00 -1.47 0.00 0.00 33.84 31.46 2crp n VAL 93 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2crp s ASN 94 N -2.82 6.19 -0.19 -1.34 0.01 -1.26 -4.98 114.94 110.55 2crp s ASN 94 Ca 0.65 -1.16 -0.04 0.00 -0.71 0.00 0.00 52.86 51.60 2crp s ASN 94 Cb -0.15 -2.36 0.09 0.00 0.41 0.00 0.00 41.25 39.25 2crp s ASN 94 CO 0.57 -1.25 0.25 0.27 -1.51 0.00 0.00 177.10 175.43 2crp s ILE 95 N 3.34 -0.39 1.02 0.60 -4.36 -1.26 -4.77 121.20 115.39 2crp s ILE 95 Ca 0.17 0.01 -0.16 0.00 -0.26 0.00 0.00 60.65 60.41 2crp s ILE 95 Cb -0.20 -0.63 0.05 0.00 1.25 0.00 0.00 42.46 42.93 2crp s ILE 95 CO 0.09 -0.10 0.16 0.47 0.24 0.00 0.00 174.94 175.80 2crp n ASP 96 N 5.33 -2.38 -0.26 4.36 9.92 -1.26 -4.35 116.55 127.92 2crp n ASP 96 Ca -0.05 0.13 0.18 0.00 -0.53 0.00 0.00 54.79 54.52 2crp n ASP 96 Cb 0.50 -1.07 0.48 0.00 -0.64 0.00 0.00 41.12 40.38 2crp n ASP 96 CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 2crp h HIS 97 N -1.73 0.61 0.00 1.24 3.86 -2.01 -0.67 115.15 116.44 2crp h HIS 97 Ca -0.48 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 2crp h HIS 97 Cb 1.32 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.60 2crp h HIS 97 CO 0.28 0.16 0.00 0.34 0.86 0.00 0.00 177.93 179.57 2crp n PHE 98 N -4.54 0.00 -0.00 2.45 -0.00 -1.26 -0.19 117.46 113.92 2crp n PHE 98 Ca 0.20 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.54 2crp n PHE 98 Cb 0.67 -0.47 -0.05 0.00 -0.00 0.00 0.00 39.48 39.63 2crp n PHE 98 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 2crp h THR 99 N 0.00 0.97 -0.61 -2.13 2.02 -1.82 -2.48 112.91 108.85 2crp h THR 99 Ca 0.00 -0.03 0.12 0.00 0.77 0.00 0.00 66.41 67.27 2crp h THR 99 Cb 0.00 0.88 -0.12 0.00 -1.74 0.00 0.00 68.15 67.17 2crp h THR 99 CO 0.00 0.02 -0.24 0.50 0.37 0.00 0.00 175.52 176.16 2crp h LYS 100 N 0.08 -0.08 -0.36 6.66 3.11 -1.07 -0.16 116.57 124.76 2crp h LYS 100 Ca 0.04 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 57.93 2crp h LYS 100 Cb 0.03 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.24 2crp h LYS 100 CO -0.05 -0.05 0.13 0.22 -2.81 0.00 0.00 179.45 176.88 2crp h ASP 101 N -0.08 0.14 -0.35 4.20 3.58 -0.34 -3.06 116.42 120.51 2crp h ASP 101 Ca 0.27 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.80 2crp h ASP 101 Cb 0.52 0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.54 2crp h ASP 101 CO -0.67 0.11 -0.28 0.40 -2.88 0.00 0.00 179.24 175.92 2crp h ILE 102 N 0.28 0.00 -0.94 2.25 1.08 -0.58 -1.08 117.51 118.52 2crp h ILE 102 Ca 0.16 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.77 2crp h ILE 102 Cb 0.13 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.74 2crp h ILE 102 CO -0.16 0.00 -0.42 0.74 -0.69 0.00 0.00 178.15 177.62 2crp h THR 103 N -0.10 0.02 -0.62 -0.27 2.02 -1.39 0.77 112.91 113.35 2crp h THR 103 Ca 0.06 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.33 2crp h THR 103 Cb 0.25 0.02 -0.11 0.00 -1.74 0.00 0.00 68.15 66.57 2crp h THR 103 CO -0.38 0.00 -0.45 0.24 0.37 0.00 0.00 175.52 175.30 2crp h MET 104 N -0.03 -0.20 -0.00 6.66 2.86 -1.17 1.08 114.93 124.13 2crp h MET 104 Ca 0.30 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 2crp h MET 104 Cb 0.56 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 2crp h MET 104 CO -0.94 -0.14 0.00 0.87 1.06 0.00 0.00 176.91 177.76 2crp h LYS 105 N -0.21 0.00 -0.22 1.72 1.57 -0.37 0.23 116.57 119.29 2crp h LYS 105 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2crp h LYS 105 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2crp h LYS 105 CO -0.71 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.26 2crp n ASN 106 N -3.23 1.95 -0.37 0.86 3.02 0.36 -3.73 115.26 114.12 2crp n ASN 106 Ca -0.03 -1.78 0.13 0.00 -0.03 0.00 0.00 54.58 52.88 2crp n ASN 106 Cb 0.07 -0.14 0.43 0.00 -0.61 0.00 0.00 39.78 39.54 2crp n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2crp n LEU 107 N 0.51 1.30 0.02 3.41 4.77 0.81 -3.15 117.00 124.67 2crp n LEU 107 Ca 0.16 -0.39 -0.05 0.00 -0.03 0.00 0.00 56.01 55.70 2crp n LEU 107 Cb 0.37 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 2crp n LEU 107 CO 0.13 0.23 0.16 0.58 -1.33 0.00 0.00 177.39 177.16 2crp h VAL 108 N 1.82 0.34 -1.48 4.08 2.07 -1.71 -3.40 116.25 117.97 2crp h VAL 108 Ca 0.00 -1.07 -0.54 0.00 0.82 0.00 0.00 66.70 65.91 2crp h VAL 108 Cb 0.52 0.61 -0.42 0.00 -1.52 0.00 0.00 31.29 30.48 2crp h VAL 108 CO 0.00 0.10 -0.84 -1.84 0.02 0.00 0.00 177.57 175.01 2crp n GLU 109 N -4.87 2.85 -2.19 1.57 0.28 -1.26 -5.08 120.64 111.93 2crp n GLU 109 Ca -0.04 -4.23 -0.42 0.00 -0.16 0.00 0.00 57.16 52.31 2crp n GLU 109 Cb 0.15 -2.01 -0.03 0.00 1.43 0.00 0.00 31.44 30.98 2crp n GLU 109 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2crp s PRO 110 N -3.41 4.31 0.06 3.44 0.04 -1.19 -4.91 135.00 133.34 2crp s PRO 110 Ca 0.43 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2crp s PRO 110 Cb 0.40 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.57 2crp s PRO 110 CO -0.13 -0.48 0.00 0.43 0.04 0.00 0.00 177.00 176.86 2crp n SER 111 N 4.46 0.37 0.00 6.66 7.64 -1.26 -4.42 113.62 127.06 2crp n SER 111 Ca 0.12 0.08 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2crp n SER 111 Cb 0.43 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 2crp n SER 111 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2crp n LEU 112 N -2.91 0.38 -1.14 -3.43 4.77 -1.26 -4.80 117.00 108.61 2crp n LEU 112 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 2crp n LEU 112 Cb 0.00 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.24 2crp n LEU 112 CO 0.00 -0.13 0.55 -1.54 -1.33 0.00 0.00 177.39 174.95 2crp n SER 113 N -2.21 2.98 -0.24 -1.43 3.41 -1.26 -4.33 113.62 110.54 2crp n SER 113 Ca 0.00 -2.42 -0.00 0.00 -0.26 0.00 0.00 58.87 56.19 2crp n SER 113 Cb 0.13 -0.59 0.12 0.00 -0.26 0.00 0.00 64.21 63.61 2crp n SER 113 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2crp h SER 114 N 1.42 0.50 -0.73 4.04 4.64 -1.87 -2.29 113.55 119.25 2crp h SER 114 Ca 0.04 0.04 -0.49 0.00 -0.47 0.00 0.00 61.79 60.91 2crp h SER 114 Cb 1.21 -0.05 -0.30 0.00 -0.31 0.00 0.00 62.40 62.95 2crp h SER 114 CO 0.24 0.31 -0.06 0.49 -0.87 0.00 0.00 176.83 176.94 2crp n PHE 115 N -4.83 2.49 -0.21 4.77 3.01 -1.26 -4.70 117.46 116.73 2crp n PHE 115 Ca 0.10 -2.31 -0.09 0.00 1.01 0.00 0.00 57.45 56.17 2crp n PHE 115 Cb 0.22 -0.75 0.02 0.00 -0.01 0.00 0.00 39.48 38.97 2crp n PHE 115 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 2crp h ASP 116 N 1.78 0.91 0.12 4.37 3.58 -1.69 -0.93 116.42 124.56 2crp h ASP 116 Ca 0.42 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 2crp h ASP 116 Cb 1.40 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2crp h ASP 116 CO 0.94 0.93 -0.06 -0.03 -2.88 0.00 0.00 179.24 178.14 2crp h MET 117 N 0.86 -0.15 -0.96 0.28 4.05 -1.84 -2.89 114.93 114.27 2crp h MET 117 Ca 0.18 0.01 0.22 0.00 -0.28 0.00 0.00 59.70 59.83 2crp h MET 117 Cb 0.40 0.03 -0.12 0.00 -0.80 0.00 0.00 31.60 31.12 2crp h MET 117 CO 0.01 0.05 0.52 0.00 0.23 0.00 0.00 176.91 177.72 2crp h ALA 118 N -0.85 1.62 0.68 0.39 0.00 -1.87 0.49 119.26 119.72 2crp h ALA 118 Ca -0.02 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2crp h ALA 118 Cb 0.27 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2crp h ALA 118 CO 0.03 -0.24 -0.33 0.37 0.00 0.00 0.00 179.25 179.08 2crp h GLN 119 N 0.56 -0.88 -0.13 0.00 4.15 -1.27 -1.75 115.11 115.79 2crp h GLN 119 Ca 0.60 0.06 -0.00 0.00 0.77 0.00 0.00 58.65 60.07 2crp h GLN 119 Cb 1.08 0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.96 2crp h GLN 119 CO -0.47 -0.55 0.07 1.57 -1.93 0.00 0.00 178.83 177.52 2crp h LYS 120 N -1.06 0.18 0.29 1.69 2.10 -1.12 0.43 116.57 119.08 2crp h LYS 120 Ca -0.09 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.53 2crp h LYS 120 Cb 0.73 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 2crp h LYS 120 CO 0.15 0.14 -0.14 -0.09 -2.00 0.00 0.00 179.45 177.51 2crp h ARG 121 N 0.18 -0.38 -0.02 0.07 1.12 0.12 -1.55 114.38 113.93 2crp h ARG 121 Ca 0.05 0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.94 2crp h ARG 121 Cb 0.02 0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 30.06 2crp h ARG 121 CO -0.01 -0.14 -0.01 0.82 -3.11 0.00 0.00 179.97 177.52 2crp h ILE 122 N -0.56 1.33 -1.00 1.20 1.08 -1.01 -2.82 117.51 115.73 2crp h ILE 122 Ca -0.04 -0.98 0.21 0.00 -0.39 0.00 0.00 64.86 63.66 2crp h ILE 122 Cb 0.41 1.95 -0.11 0.00 -3.07 0.00 0.00 36.82 36.00 2crp h ILE 122 CO 0.07 0.26 0.60 -0.74 -0.69 0.00 0.00 178.15 177.64 2crp h HIS 123 N -0.35 1.04 0.00 1.37 2.76 -0.97 0.54 115.15 119.54 2crp h HIS 123 Ca 0.00 0.04 -0.07 0.00 -2.20 0.00 0.00 60.37 58.14 2crp h HIS 123 Cb 0.43 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 2crp h HIS 123 CO 0.07 0.17 -0.35 0.00 -1.30 0.00 0.00 177.93 176.51 2crp h ALA 124 N 1.68 1.16 0.00 5.26 0.00 -1.21 -2.60 119.26 123.55 2crp h ALA 124 Ca 0.60 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.98 2crp h ALA 124 Cb 1.01 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2crp h ALA 124 CO -0.42 0.44 -1.04 1.25 0.00 0.00 0.00 179.25 179.48 2crp h LEU 125 N 0.00 0.01 -0.01 0.00 5.85 0.22 -2.98 115.31 118.40 2crp h LEU 125 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2crp h LEU 125 Cb 0.74 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.77 2crp h LEU 125 CO 0.05 1.01 -0.04 0.23 -0.34 0.00 0.00 178.44 179.35 2crp n MET 126 N -3.34 0.08 -0.03 1.25 2.81 0.12 -0.36 117.12 117.65 2crp n MET 126 Ca -0.01 -0.01 0.02 0.00 -1.81 0.00 0.00 57.70 55.89 2crp n MET 126 Cb 0.95 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.81 2crp n MET 126 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2crp n GLU 127 N -1.45 0.66 0.00 0.03 0.28 -1.00 0.50 120.64 119.66 2crp n GLU 127 Ca 0.08 -0.05 0.05 0.00 -0.16 0.00 0.00 57.16 57.08 2crp n GLU 127 Cb 0.32 -1.58 -0.02 0.00 1.43 0.00 0.00 31.44 31.59 2crp n GLU 127 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2crp n LYS 128 N -2.56 2.81 -0.00 3.44 2.85 -1.13 -4.05 118.16 119.52 2crp n LYS 128 Ca -0.15 -0.35 -0.01 0.00 -1.05 0.00 0.00 58.31 56.74 2crp n LYS 128 Cb 0.83 -1.03 -0.00 0.00 -0.65 0.00 0.00 35.03 34.17 2crp n LYS 128 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2crp n ASP 129 N -0.66 0.60 0.03 -5.58 -0.08 0.52 -4.71 116.55 106.66 2crp n ASP 129 Ca 0.03 0.09 -0.05 0.00 -1.51 0.00 0.00 54.79 53.35 2crp n ASP 129 Cb 0.19 -0.32 -0.03 0.00 2.34 0.00 0.00 41.12 43.30 2crp n ASP 129 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2crp h SER 130 N -0.16 -0.15 -0.70 1.67 0.02 -1.61 -2.83 113.55 109.79 2crp h SER 130 Ca 0.00 -0.14 0.10 0.00 -0.84 0.00 0.00 61.79 60.92 2crp h SER 130 Cb 0.16 0.04 -0.11 0.00 0.14 0.00 0.00 62.40 62.63 2crp h SER 130 CO 0.00 0.39 -0.29 -0.11 -1.14 0.00 0.00 176.83 175.68 2crp n LEU 131 N -4.88 -0.48 0.19 5.07 7.94 0.18 0.26 117.00 125.27 2crp n LEU 131 Ca -0.04 1.23 0.04 0.00 -1.11 0.00 0.00 56.01 56.13 2crp n LEU 131 Cb 0.14 -0.27 0.36 0.00 0.53 0.00 0.00 43.42 44.17 2crp n LEU 131 CO 0.11 -1.09 0.69 1.55 -1.11 0.00 0.00 177.39 177.54 2crp h PRO 132 N 0.00 0.00 0.00 1.96 0.13 -1.70 -2.63 132.00 129.75 2crp h PRO 132 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 2crp h PRO 132 Cb 0.41 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.54 2crp h PRO 132 CO -0.69 0.39 -0.47 0.54 -0.23 0.00 0.00 178.00 177.54 2crp n ARG 133 N -3.78 0.21 -0.08 0.86 1.74 0.73 -3.92 116.66 112.41 2crp n ARG 133 Ca -0.01 0.08 -0.15 0.00 -0.77 0.00 0.00 57.85 56.99 2crp n ARG 133 Cb 0.46 -1.65 -0.11 0.00 -1.02 0.00 0.00 32.46 30.14 2crp n ARG 133 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2crp h PHE 134 N 0.00 0.00 -0.38 -1.55 3.57 0.27 -3.31 116.94 115.54 2crp h PHE 134 Ca 0.00 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 2crp h PHE 134 Cb 0.68 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 2crp h PHE 134 CO 0.00 1.05 0.42 -0.39 -2.23 0.00 0.00 178.31 177.16 2crp h VAL 135 N -1.00 0.37 -0.17 1.41 -1.51 -1.63 -0.16 116.25 113.56 2crp h VAL 135 Ca -0.13 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.25 2crp h VAL 135 Cb 1.01 0.66 -0.00 0.00 -2.13 0.00 0.00 31.29 30.83 2crp h VAL 135 CO -0.08 0.00 -0.24 0.03 -1.23 0.00 0.00 177.57 176.05 2crp h ARG 136 N 0.00 0.46 -6.95 5.19 2.47 -1.68 -3.39 114.38 110.48 2crp h ARG 136 Ca 0.18 -0.27 -0.54 0.00 -1.26 0.00 0.00 59.98 58.10 2crp h ARG 136 Cb 1.02 0.02 0.10 0.00 -1.65 0.00 0.00 29.97 29.46 2crp h ARG 136 CO -0.00 0.86 0.72 -1.54 0.56 0.00 0.00 179.97 180.56 2crp s SER 137 N -6.32 6.24 0.41 7.04 1.04 -0.07 -4.82 113.70 117.22 2crp s SER 137 Ca -0.14 2.92 0.26 0.00 0.48 0.00 0.00 55.95 59.47 2crp s SER 137 Cb 0.06 -2.66 1.34 0.00 0.10 0.00 0.00 66.02 64.86 2crp s SER 137 CO 0.78 -0.93 1.64 -0.33 0.98 0.00 0.00 173.24 175.38 2crp h GLU 138 N 2.79 0.14 -0.95 4.02 4.39 -1.86 0.13 114.58 123.23 2crp h GLU 138 Ca -0.50 -0.01 0.38 0.00 0.34 0.00 0.00 59.36 59.56 2crp h GLU 138 Cb 1.25 -0.03 -0.15 0.00 -0.10 0.00 0.00 28.75 29.72 2crp h GLU 138 CO 0.63 0.09 0.55 1.19 -1.16 0.00 0.00 179.01 180.31 2crp n PHE 139 N -4.79 0.90 -0.06 4.33 3.01 -1.26 0.19 117.46 119.78 2crp n PHE 139 Ca 0.35 0.91 -0.19 0.00 1.01 0.00 0.00 57.45 59.53 2crp n PHE 139 Cb 1.30 -1.33 -0.13 0.00 -0.01 0.00 0.00 39.48 39.31 2crp n PHE 139 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 2crp h TYR 140 N 0.00 0.13 -0.98 1.38 3.20 -0.92 -3.26 116.97 116.53 2crp h TYR 140 Ca 0.74 -0.10 0.27 0.00 3.14 0.00 0.00 58.73 62.79 2crp h TYR 140 Cb 2.09 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 40.30 2crp h TYR 140 CO -0.01 1.33 0.68 1.96 -1.64 0.00 0.00 178.16 180.49 2crp h GLN 141 N -0.80 0.13 0.00 1.82 1.08 -0.28 0.65 115.11 117.71 2crp h GLN 141 Ca -0.21 -0.01 -0.15 0.00 -1.45 0.00 0.00 58.65 56.83 2crp h GLN 141 Cb 1.33 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.70 2crp h GLN 141 CO -0.06 0.09 -0.72 1.05 -0.95 0.00 0.00 178.83 178.24 2crp h GLU 142 N 0.14 0.00 -0.25 1.46 4.11 -0.75 0.49 114.58 119.78 2crp h GLU 142 Ca 0.49 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.83 2crp h GLU 142 Cb 1.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 2crp h GLU 142 CO -0.08 0.72 -0.22 -0.07 0.07 0.00 0.00 179.01 179.43 2crp h LEU 143 N 0.00 0.45 0.00 3.06 3.38 0.27 0.04 115.31 122.51 2crp h LEU 143 Ca -0.01 -0.14 -0.39 0.00 0.09 0.00 0.00 57.88 57.43 2crp h LEU 143 Cb 1.42 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.98 2crp h LEU 143 CO 0.09 0.68 -2.48 2.30 0.09 0.00 0.00 178.44 179.13 2crp n ILE 144 N -4.15 1.50 0.24 1.22 -5.35 -0.99 -4.37 119.36 107.46 2crp n ILE 144 Ca -0.00 -0.56 0.10 0.00 -0.27 0.00 0.00 62.75 62.02 2crp n ILE 144 Cb 0.38 -1.45 0.58 0.00 -1.74 0.00 0.00 39.64 37.41 2crp n ILE 144 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2crp h SER 145 N -0.06 0.00 0.00 7.28 0.87 -0.08 -3.41 113.55 118.15 2crp h SER 145 Ca -0.59 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 59.97 2crp h SER 145 Cb 1.88 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.84 2crp h SER 145 CO -0.11 0.20 0.00 0.61 -0.53 0.00 0.00 176.83 177.00 2crp n GLY 146 N -0.38 -2.85 3.56 5.77 0.00 -0.00 -4.68 105.19 106.61 2crp n GLY 146 Ca -0.01 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.80 2crp n GLY 146 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crp s PRO 147 N 0.00 2.54 -0.08 1.61 0.04 -1.26 -4.79 135.00 133.06 2crp s PRO 147 Ca 0.00 -0.43 -0.03 0.00 0.04 0.00 0.00 61.00 60.58 2crp s PRO 147 Cb 0.00 -5.09 -0.02 0.00 0.04 0.00 0.00 34.50 29.43 2crp s PRO 147 CO 0.00 -3.49 0.14 1.03 0.04 0.00 0.00 177.00 174.73 2crp h SER 148 N 11.04 -0.10 0.00 6.66 0.87 -1.83 -3.45 113.55 126.74 2crp h SER 148 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2crp h SER 148 Cb 0.99 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 2crp h SER 148 CO 1.21 0.33 -0.81 -1.54 -0.53 0.00 0.00 176.83 175.49 2crp n SER 149 N -4.54 3.29 0.00 6.23 3.41 -1.26 -4.70 113.62 116.05 2crp n SER 149 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2crp n SER 149 Cb 0.05 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2crp n SER 149 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49