#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crp s SER 2 N 0.00 1.15 0.17 1.61 0.01 -1.26 -5.13 113.70 110.25 2crp s SER 2 Ca 0.00 -0.01 -0.32 0.00 1.31 0.00 0.00 55.95 56.94 2crp s SER 2 Cb 0.00 0.37 -0.11 0.00 0.21 0.00 0.00 66.02 66.49 2crp s SER 2 CO 0.00 -0.30 1.64 -0.55 0.41 0.00 0.00 173.24 174.45 2crp s SER 3 N 2.32 6.51 0.08 2.44 0.15 -1.26 -5.00 113.70 118.94 2crp s SER 3 Ca 0.05 2.70 0.04 0.00 0.70 0.00 0.00 55.95 59.43 2crp s SER 3 Cb -0.14 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.54 2crp s SER 3 CO -0.10 -0.89 -0.11 -0.83 1.20 0.00 0.00 173.24 172.51 2crp s GLY 4 N 1.37 0.77 -0.03 9.45 0.00 -1.26 -5.15 107.32 112.47 2crp s GLY 4 Ca 0.73 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 44.41 2crp s GLY 4 CO 0.32 -1.09 0.01 -0.45 0.00 0.00 0.00 173.10 171.89 2crp s SER 5 N -2.04 0.52 0.95 1.64 0.15 -1.26 -5.16 113.70 108.50 2crp s SER 5 Ca -0.00 -0.01 -0.16 0.00 0.70 0.00 0.00 55.95 56.48 2crp s SER 5 Cb -0.07 -0.21 0.19 0.00 -1.71 0.00 0.00 66.02 64.22 2crp s SER 5 CO 0.01 -0.12 1.31 -0.94 1.20 0.00 0.00 173.24 174.69 2crp s SER 6 N 1.19 3.24 0.17 5.45 1.04 -1.26 -5.11 113.70 118.43 2crp s SER 6 Ca -0.07 0.32 -0.21 0.00 0.48 0.00 0.00 55.95 56.47 2crp s SER 6 Cb -0.13 -0.41 0.05 0.00 0.10 0.00 0.00 66.02 65.64 2crp s SER 6 CO -0.02 -2.66 0.57 -0.83 0.98 0.00 0.00 173.24 171.28 2crp s GLY 7 N -4.86 -0.45 1.12 7.32 0.00 -1.26 -5.18 107.32 104.01 2crp s GLY 7 Ca 0.73 0.24 -0.19 0.00 0.00 0.00 0.00 44.72 45.50 2crp s GLY 7 CO 0.53 0.01 0.99 -1.55 0.00 0.00 0.00 173.10 173.08 2crp n PRO 8 N -0.36 -2.95 -4.12 2.90 -0.04 -1.26 -5.10 135.00 124.07 2crp n PRO 8 Ca -0.15 -1.59 -0.19 0.00 -0.04 0.00 0.00 63.50 61.54 2crp n PRO 8 Cb 0.64 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.54 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 -4.53 0.40 -4.51 0.54 -0.58 -1.26 -5.17 120.64 105.53 2crp n GLU 9 Ca 0.14 -3.16 -0.31 0.00 -0.42 0.00 0.00 57.16 53.41 2crp n GLU 9 Cb 0.53 2.53 -0.11 0.00 -0.57 0.00 0.00 31.44 33.82 2crp n GLU 9 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2crp s LYS 10 N -3.29 2.23 0.53 3.49 3.01 -1.26 -5.13 119.74 119.31 2crp s LYS 10 Ca 0.37 -0.91 -0.09 0.00 -1.01 0.00 0.00 55.97 54.33 2crp s LYS 10 Cb 0.02 -2.31 0.13 0.00 -1.01 0.00 0.00 37.83 34.66 2crp s LYS 10 CO 0.26 0.55 0.47 -0.35 0.51 0.00 0.00 175.35 176.79 2crp n PRO 11 N 1.38 -1.93 -4.34 -1.68 -0.04 -1.26 -5.10 135.00 122.03 2crp n PRO 11 Ca -0.15 -0.75 -0.26 0.00 -0.04 0.00 0.00 63.50 62.30 2crp n PRO 11 Cb 0.52 -0.70 -0.07 0.00 -0.04 0.00 0.00 33.50 33.22 2crp n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2crp n ALA 12 N -3.80 0.50 -2.57 0.55 0.00 -1.26 -5.18 120.51 108.76 2crp n ALA 12 Ca -0.09 -2.01 -0.26 0.00 0.00 0.00 0.00 53.44 51.08 2crp n ALA 12 Cb 0.25 1.27 -0.10 0.00 0.00 0.00 0.00 19.45 20.87 2crp n ALA 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2crp s LYS 13 N -3.54 1.87 0.01 0.00 2.20 -1.26 -5.16 119.74 113.86 2crp s LYS 13 Ca 0.14 -2.08 -0.29 0.00 -0.36 0.00 0.00 55.97 53.38 2crp s LYS 13 Cb 0.01 -1.26 0.11 0.00 -1.51 0.00 0.00 37.83 35.17 2crp s LYS 13 CO 0.10 -0.17 1.25 -0.08 -0.36 0.00 0.00 175.35 176.08 2crp s THR 14 N -2.99 0.00 1.07 3.43 -1.32 -1.26 -5.16 115.64 109.41 2crp s THR 14 Ca 0.31 -0.26 -0.23 0.00 -1.21 0.00 0.00 61.69 60.30 2crp s THR 14 Cb 0.08 -2.34 -0.02 0.00 -1.51 0.00 0.00 72.50 68.70 2crp s THR 14 CO 0.15 0.00 -0.68 1.67 -2.21 0.00 0.00 174.62 173.55 2crp n GLN 15 N -0.62 -0.94 0.00 7.08 -0.06 -1.26 -5.00 117.38 116.58 2crp n GLN 15 Ca -0.05 -0.26 0.00 0.00 -2.00 0.00 0.00 57.00 54.69 2crp n GLN 15 Cb 0.61 -1.39 0.00 0.00 -4.06 0.00 0.00 30.24 25.40 2crp n GLN 15 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2crp n LYS 16 N -0.08 0.00 -3.63 3.69 5.02 -1.26 -5.12 118.16 116.78 2crp n LYS 16 Ca -0.01 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 2crp n LYS 16 Cb 0.68 -0.01 -0.07 0.00 -0.02 0.00 0.00 35.03 35.61 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 -1.04 0.00 0.30 -0.18 2.01 -1.26 -4.76 115.64 110.71 2crp s THR 17 Ca 0.00 -0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.06 2crp s THR 17 Cb 0.00 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 2crp s THR 17 CO 0.00 -0.01 0.17 -0.55 -0.69 0.00 0.00 174.62 173.54 2crp s SER 18 N -0.03 5.03 0.10 3.53 0.15 -1.26 -4.96 113.70 116.25 2crp s SER 18 Ca -0.03 -0.55 -0.32 0.00 0.70 0.00 0.00 55.95 55.76 2crp s SER 18 Cb -0.04 -0.98 -0.13 0.00 -1.71 0.00 0.00 66.02 63.16 2crp s SER 18 CO 0.03 -0.19 1.59 0.25 1.20 0.00 0.00 173.24 176.12 2crp h LEU 19 N 1.52 -1.14 -0.86 3.45 7.12 -1.90 0.14 115.31 123.63 2crp h LEU 19 Ca -0.45 0.11 0.00 0.00 0.13 0.00 0.00 57.88 57.67 2crp h LEU 19 Cb 1.25 0.40 0.00 0.00 -0.53 0.00 0.00 40.66 41.78 2crp h LEU 19 CO 0.61 -0.52 0.18 -0.67 -0.13 0.00 0.00 178.44 177.90 2crp n ASP 20 N -5.48 0.34 -0.08 1.25 2.03 -1.26 -2.08 116.55 111.26 2crp n ASP 20 Ca -0.09 0.58 -0.08 0.00 0.52 0.00 0.00 54.79 55.72 2crp n ASP 20 Cb 0.39 -0.57 -0.03 0.00 -0.72 0.00 0.00 41.12 40.18 2crp n ASP 20 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2crp n GLU 21 N -1.98 0.48 -0.54 -0.67 4.07 0.22 -3.84 120.64 118.38 2crp n GLU 21 Ca -0.01 0.49 0.44 0.00 -0.06 0.00 0.00 57.16 58.02 2crp n GLU 21 Cb 0.20 -1.67 0.73 0.00 -0.06 0.00 0.00 31.44 30.63 2crp n GLU 21 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2crp h ALA 22 N -0.93 3.18 -0.15 4.31 0.00 -0.29 1.68 119.26 127.07 2crp h ALA 22 Ca -0.07 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2crp h ALA 22 Cb 0.71 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2crp h ALA 22 CO -0.04 -1.80 -0.68 -0.07 0.00 0.00 0.00 179.25 176.66 2crp h LEU 23 N 0.03 0.70 -2.12 0.00 3.38 -1.69 -3.00 115.31 112.60 2crp h LEU 23 Ca 0.87 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 58.45 2crp h LEU 23 Cb 3.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 43.60 2crp h LEU 23 CO -0.27 1.18 0.31 1.56 0.09 0.00 0.00 178.44 181.31 2crp h GLN 24 N 0.43 0.00 0.00 1.13 4.20 0.24 0.43 115.11 121.55 2crp h GLN 24 Ca -0.02 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 2crp h GLN 24 Cb 1.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 2crp h GLN 24 CO 0.13 0.00 -0.22 -1.49 -0.67 0.00 0.00 178.83 176.58 2crp h TRP 25 N 0.00 0.00 -0.31 2.96 6.55 -1.44 -3.12 115.95 120.59 2crp h TRP 25 Ca 0.07 0.00 -0.12 0.00 0.95 0.00 0.00 58.89 59.79 2crp h TRP 25 Cb 0.69 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.98 2crp h TRP 25 CO 0.00 0.22 -0.25 0.00 -1.05 0.00 0.00 178.44 177.36 2crp h ARG 26 N 0.00 0.73 0.89 0.49 3.08 -0.28 -3.30 114.38 115.99 2crp h ARG 26 Ca -0.00 -0.36 -0.04 0.00 0.07 0.00 0.00 59.98 59.64 2crp h ARG 26 Cb 0.80 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.86 2crp h ARG 26 CO 0.03 0.98 -0.45 -0.44 -1.07 0.00 0.00 179.97 179.02 2crp h ASP 27 N 0.49 -1.07 -3.62 7.04 3.32 -1.60 -3.44 116.42 117.54 2crp h ASP 27 Ca 0.06 0.04 -0.48 0.00 0.02 0.00 0.00 57.03 56.67 2crp h ASP 27 Cb 0.81 0.29 -0.32 0.00 0.22 0.00 0.00 39.33 40.33 2crp h ASP 27 CO 0.07 -0.74 -0.80 -0.44 -1.72 0.00 0.00 179.24 175.60 2crp s SER 28 N -4.13 1.55 0.23 6.45 0.01 -1.21 -5.03 113.70 111.57 2crp s SER 28 Ca -0.19 -0.25 -0.07 0.00 1.31 0.00 0.00 55.95 56.75 2crp s SER 28 Cb 0.03 -0.59 0.29 0.00 0.21 0.00 0.00 66.02 65.96 2crp s SER 28 CO 0.61 0.05 1.85 0.25 0.41 0.00 0.00 173.24 176.41 2crp h LEU 29 N 6.70 0.81 -0.89 2.44 5.85 -1.85 -2.96 115.31 125.42 2crp h LEU 29 Ca -0.33 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.48 2crp h LEU 29 Cb 1.18 -0.16 -0.11 0.00 0.37 0.00 0.00 40.66 41.94 2crp h LEU 29 CO 0.48 0.54 -0.52 -0.67 -0.34 0.00 0.00 178.44 177.92 2crp n ASP 30 N -4.62 -0.94 -0.31 1.25 2.03 -1.26 0.75 116.55 113.45 2crp n ASP 30 Ca 0.11 1.66 0.27 0.00 0.52 0.00 0.00 54.79 57.35 2crp n ASP 30 Cb 0.14 -0.25 0.50 0.00 -0.72 0.00 0.00 41.12 40.80 2crp n ASP 30 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2crp n LYS 31 N -5.02 -0.06 0.15 -0.67 4.76 -1.12 -0.32 118.16 115.88 2crp n LYS 31 Ca 0.02 1.34 -0.06 0.00 -2.87 0.00 0.00 58.31 56.73 2crp n LYS 31 Cb 0.23 -2.34 -0.03 0.00 -1.84 0.00 0.00 35.03 31.05 2crp n LYS 31 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2crp h LEU 32 N 0.00 -0.34 -0.72 -0.35 5.85 0.21 -2.16 115.31 117.81 2crp h LEU 32 Ca 0.76 0.01 0.16 0.00 0.84 0.00 0.00 57.88 59.65 2crp h LEU 32 Cb 1.94 0.09 -0.12 0.00 0.37 0.00 0.00 40.66 42.93 2crp h LEU 32 CO -0.77 -0.20 0.02 -0.07 -0.34 0.00 0.00 178.44 177.08 2crp h LEU 33 N -0.47 -0.30 -0.69 2.25 3.38 -0.71 0.10 115.31 118.87 2crp h LEU 33 Ca -0.04 0.18 0.11 0.00 0.09 0.00 0.00 57.88 58.22 2crp h LEU 33 Cb 0.30 0.31 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 2crp h LEU 33 CO 0.07 -0.15 0.28 1.56 0.09 0.00 0.00 178.44 180.29 2crp h GLN 34 N 0.12 0.44 -6.30 1.13 4.20 -0.70 -3.40 115.11 110.60 2crp h GLN 34 Ca 0.39 -0.03 -0.55 0.00 0.06 0.00 0.00 58.65 58.52 2crp h GLN 34 Cb 0.67 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2crp h GLN 34 CO -0.61 0.29 0.87 -0.80 -0.67 0.00 0.00 178.83 177.91 2crp s ASN 35 N -5.39 6.86 0.21 1.46 0.01 0.35 -4.91 114.94 113.52 2crp s ASN 35 Ca -0.13 2.01 -0.10 0.00 -0.71 0.00 0.00 52.86 53.94 2crp s ASN 35 Cb 0.19 -2.55 0.25 0.00 0.41 0.00 0.00 41.25 39.55 2crp s ASN 35 CO 0.76 -0.74 1.77 -1.13 -1.51 0.00 0.00 177.10 176.24 2crp h ASN 36 N 8.14 0.37 0.78 -1.22 -1.24 -1.80 0.26 115.58 120.86 2crp h ASN 36 Ca -0.35 0.05 -0.04 0.00 0.71 0.00 0.00 56.30 56.67 2crp h ASN 36 Cb 1.16 -0.01 0.01 0.00 0.73 0.00 0.00 38.32 40.21 2crp h ASN 36 CO 0.92 0.23 -0.37 0.22 -1.29 0.00 0.00 177.43 177.14 2crp h TYR 37 N 0.52 -0.97 -0.97 0.67 3.20 -1.89 -1.10 116.97 116.43 2crp h TYR 37 Ca 0.30 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.22 2crp h TYR 37 Cb 0.29 0.32 -0.07 0.00 1.54 0.00 0.00 36.73 38.81 2crp h TYR 37 CO -0.12 -0.59 0.62 0.78 -1.64 0.00 0.00 178.16 177.20 2crp h GLY 38 N -1.13 1.49 0.71 1.82 0.00 -1.72 -2.53 103.07 101.72 2crp h GLY 38 Ca -0.11 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 2crp h GLY 38 CO 0.18 0.28 -0.34 -2.00 0.00 0.00 0.00 176.54 174.66 2crp h LEU 39 N 1.09 -0.81 -0.89 3.11 5.85 -0.39 0.35 115.31 123.62 2crp h LEU 39 Ca 0.43 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.35 2crp h LEU 39 Cb 0.23 0.21 -0.17 0.00 0.37 0.00 0.00 40.66 41.31 2crp h LEU 39 CO -0.19 -0.56 -0.25 0.00 -0.34 0.00 0.00 178.44 177.10 2crp h ALA 40 N -1.52 0.52 -0.27 1.25 0.00 -1.08 0.22 119.26 118.37 2crp h ALA 40 Ca -0.10 0.33 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2crp h ALA 40 Cb 0.74 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2crp h ALA 40 CO 0.16 -0.43 -0.05 1.03 0.00 0.00 0.00 179.25 179.96 2crp h SER 41 N -0.01 0.52 -0.65 0.00 0.87 -1.39 -3.09 113.55 109.80 2crp h SER 41 Ca 0.41 -0.35 0.12 0.00 -1.23 0.00 0.00 61.79 60.74 2crp h SER 41 Cb 0.65 -0.14 -0.09 0.00 -0.44 0.00 0.00 62.40 62.38 2crp h SER 41 CO -0.92 0.75 0.20 0.15 -0.53 0.00 0.00 176.83 176.48 2crp h PHE 42 N 0.27 0.33 0.26 2.24 3.57 0.27 -2.33 116.94 121.56 2crp h PHE 42 Ca 0.07 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 2crp h PHE 42 Cb 0.51 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2crp h PHE 42 CO 0.05 0.02 -0.29 0.87 -2.23 0.00 0.00 178.31 176.73 2crp h LYS 43 N 0.34 -0.53 -0.94 1.11 1.57 -0.81 -2.68 116.57 114.63 2crp h LYS 43 Ca 0.35 0.04 0.20 0.00 -1.87 0.00 0.00 60.65 59.37 2crp h LYS 43 Cb 0.51 0.12 -0.18 0.00 0.08 0.00 0.00 32.23 32.76 2crp h LYS 43 CO -0.39 -0.36 -0.17 1.03 -0.57 0.00 0.00 179.45 178.99 2crp h SER 44 N -0.55 -0.77 -0.63 0.86 0.87 -1.41 0.38 113.55 112.29 2crp h SER 44 Ca -0.03 0.28 0.13 0.00 -1.23 0.00 0.00 61.79 60.93 2crp h SER 44 Cb 0.49 0.55 -0.12 0.00 -0.44 0.00 0.00 62.40 62.88 2crp h SER 44 CO -0.05 -0.31 -0.16 0.15 -0.53 0.00 0.00 176.83 175.93 2crp h PHE 45 N 0.01 -0.33 0.29 2.24 3.57 -1.10 -1.68 116.94 119.94 2crp h PHE 45 Ca 0.48 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 62.02 2crp h PHE 45 Cb 0.80 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.78 2crp h PHE 45 CO -0.67 -0.27 -0.14 -0.07 -2.23 0.00 0.00 178.31 174.93 2crp h LEU 46 N 0.00 -0.33 -1.11 0.59 3.38 -0.03 -2.62 115.31 115.19 2crp h LEU 46 Ca 0.30 -0.08 0.44 0.00 0.09 0.00 0.00 57.88 58.63 2crp h LEU 46 Cb 0.46 0.09 -0.17 0.00 0.09 0.00 0.00 40.66 41.13 2crp h LEU 46 CO -0.65 -0.13 0.64 0.29 0.09 0.00 0.00 178.44 178.68 2crp n LYS 47 N -5.20 -0.05 0.01 1.13 5.02 -0.67 0.18 118.16 118.57 2crp n LYS 47 Ca -0.10 1.35 -0.17 0.00 -2.02 0.00 0.00 58.31 57.37 2crp n LYS 47 Cb 0.21 -2.48 -0.07 0.00 -0.02 0.00 0.00 35.03 32.68 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 0.85 -0.20 4.39 0.87 -1.15 -3.06 113.55 115.25 2crp h SER 48 Ca 0.86 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2crp h SER 48 Cb 2.42 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 64.12 2crp h SER 48 CO -0.68 1.40 0.00 -0.62 -0.53 0.00 0.00 176.83 176.39 2crp n GLU 49 N -3.89 2.21 -2.26 2.24 -0.58 0.47 -4.85 120.64 113.98 2crp n GLU 49 Ca -0.08 -1.03 -0.06 0.00 -0.42 0.00 0.00 57.16 55.57 2crp n GLU 49 Cb 0.79 -1.69 -0.01 0.00 -0.57 0.00 0.00 31.44 29.97 2crp n GLU 49 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 2crp n PHE 50 N 0.21 -1.55 -1.34 -0.32 1.16 0.22 -4.75 117.46 111.09 2crp n PHE 50 Ca 0.09 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.73 2crp n PHE 50 Cb 0.52 -1.84 0.19 0.00 -1.61 0.00 0.00 39.48 36.74 2crp n PHE 50 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2crp n SER 51 N -1.33 2.29 0.26 5.98 2.88 -0.87 -4.66 113.62 118.16 2crp n SER 51 Ca -0.07 -3.53 0.17 0.00 -1.33 0.00 0.00 58.87 54.11 2crp n SER 51 Cb 0.50 -0.52 0.67 0.00 -0.75 0.00 0.00 64.21 64.11 2crp n SER 51 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2crp h GLU 52 N 0.76 0.00 0.00 -1.46 4.81 -1.86 -2.67 114.58 114.17 2crp h GLU 52 Ca 0.04 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 2crp h GLU 52 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2crp h GLU 52 CO 0.10 0.00 -0.17 1.05 -0.73 0.00 0.00 179.01 179.25 2crp h GLU 53 N 0.00 0.00 -0.20 1.92 9.09 -1.87 -2.35 114.58 121.17 2crp h GLU 53 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 2crp h GLU 53 Cb 0.48 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.57 2crp h GLU 53 CO 0.00 0.17 0.05 -0.91 0.05 0.00 0.00 179.01 178.37 2crp h ASN 54 N 0.00 0.30 -0.25 3.06 4.21 -1.77 -2.96 115.58 118.17 2crp h ASN 54 Ca -0.00 -0.22 -0.10 0.00 1.21 0.00 0.00 56.30 57.18 2crp h ASN 54 Cb 0.43 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.55 2crp h ASN 54 CO 0.02 0.45 -0.24 0.25 -1.29 0.00 0.00 177.43 176.62 2crp h LEU 55 N 0.14 0.64 -0.60 1.61 6.46 -1.68 -3.28 115.31 118.61 2crp h LEU 55 Ca 0.06 -0.47 0.07 0.00 -0.12 0.00 0.00 57.88 57.42 2crp h LEU 55 Cb 0.26 -0.18 -0.10 0.00 -0.73 0.00 0.00 40.66 39.91 2crp h LEU 55 CO 0.00 0.98 -0.54 -0.33 -0.62 0.00 0.00 178.44 177.93 2crp h GLU 56 N 0.31 -0.25 -1.11 1.25 4.39 -1.40 0.54 114.58 118.32 2crp h GLU 56 Ca 0.04 0.02 0.30 0.00 0.34 0.00 0.00 59.36 60.06 2crp h GLU 56 Cb 0.80 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.43 2crp h GLU 56 CO 0.06 -0.17 0.74 0.35 -1.16 0.00 0.00 179.01 178.84 2crp h PHE 57 N -0.26 0.41 0.49 4.33 3.57 -1.58 -0.61 116.94 123.29 2crp h PHE 57 Ca 0.12 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2crp h PHE 57 Cb 0.55 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.17 2crp h PHE 57 CO -0.80 0.02 -0.24 2.35 -2.23 0.00 0.00 178.31 177.41 2crp h TRP 58 N 0.23 -0.62 -0.63 0.41 7.01 -0.04 -2.36 115.95 119.95 2crp h TRP 58 Ca 0.60 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.71 2crp h TRP 58 Cb 1.84 0.20 -0.11 0.00 -2.10 0.00 0.00 29.16 29.00 2crp h TRP 58 CO -0.00 -0.38 -0.04 0.82 -2.79 0.00 0.00 178.44 176.05 2crp h ILE 59 N -1.15 0.44 -0.34 2.65 2.04 -0.21 -0.68 117.51 120.26 2crp h ILE 59 Ca -0.07 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.80 2crp h ILE 59 Cb 0.51 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2crp h ILE 59 CO 0.11 0.02 0.11 0.00 0.00 0.00 0.00 178.15 178.39 2crp h ALA 60 N 1.59 0.39 -0.43 1.87 0.00 -1.23 -2.08 119.26 119.38 2crp h ALA 60 Ca 0.33 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.35 2crp h ALA 60 Cb 0.53 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 2crp h ALA 60 CO -0.57 -0.29 -0.43 0.00 0.00 0.00 0.00 179.25 177.96 2crp h GLU 62 N -0.31 0.66 0.00 0.00 4.39 -1.23 0.97 114.58 119.06 2crp h GLU 62 Ca 0.14 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2crp h GLU 62 Cb 0.58 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2crp h GLU 62 CO -0.59 0.44 0.00 0.22 -1.16 0.00 0.00 179.01 177.92 2crp h ASP 63 N 0.68 0.00 0.38 1.42 3.58 -0.38 -1.76 116.42 120.33 2crp h ASP 63 Ca 0.29 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.43 2crp h ASP 63 Cb 0.17 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.18 2crp h ASP 63 CO -0.18 0.00 -1.82 0.00 -2.88 0.00 0.00 179.24 174.37 2crp n TYR 64 N -2.61 0.98 0.01 0.28 4.19 0.23 -4.08 117.16 116.16 2crp n TYR 64 Ca -0.01 0.32 0.02 0.00 3.31 0.00 0.00 57.90 61.53 2crp n TYR 64 Cb 0.11 -1.17 0.35 0.00 0.49 0.00 0.00 39.34 39.13 2crp n TYR 64 CO 0.00 0.00 0.00 0.87 0.91 0.00 0.00 176.86 178.64 2crp h LYS 65 N 0.01 0.50 -0.96 2.98 1.79 -0.34 -1.43 116.57 119.13 2crp h LYS 65 Ca -0.33 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.05 2crp h LYS 65 Cb 2.03 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 32.59 2crp h LYS 65 CO 0.08 0.46 0.02 0.36 -1.08 0.00 0.00 179.45 179.28 2crp n LYS 66 N -4.35 1.45 -3.42 3.15 2.85 -1.14 -4.77 118.16 111.93 2crp n LYS 66 Ca 0.02 -0.41 -0.42 0.00 -1.05 0.00 0.00 58.31 56.45 2crp n LYS 66 Cb 0.18 -1.52 -0.10 0.00 -0.65 0.00 0.00 35.03 32.94 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 -1.09 5.20 -0.10 0.58 1.01 -0.54 -4.92 121.20 121.35 2crp s ILE 67 Ca 0.07 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.33 2crp s ILE 67 Cb 0.06 -3.92 -0.24 0.00 0.01 0.00 0.00 42.46 38.36 2crp s ILE 67 CO 0.02 -0.28 0.46 2.29 0.00 0.00 0.00 174.94 177.42 2crp n LYS 68 N 5.31 0.69 -1.55 2.79 -0.00 -1.26 -4.71 118.16 119.44 2crp n LYS 68 Ca -0.10 0.26 -0.53 0.00 -0.00 0.00 0.00 58.31 57.94 2crp n LYS 68 Cb 0.48 -1.73 -0.06 0.00 -0.00 0.00 0.00 35.03 33.72 2crp n LYS 68 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2crp n SER 69 N -3.22 0.92 0.24 -5.58 7.64 -1.26 -4.84 113.62 107.51 2crp n SER 69 Ca -0.26 1.14 0.11 0.00 1.01 0.00 0.00 58.87 60.87 2crp n SER 69 Cb 1.05 -1.11 0.54 0.00 -1.01 0.00 0.00 64.21 63.69 2crp n SER 69 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2crp h PRO 70 N 3.58 0.00 0.07 1.43 0.13 -2.00 -1.85 132.00 133.36 2crp h PRO 70 Ca -0.46 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.36 2crp h PRO 70 Cb 1.37 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.48 2crp h PRO 70 CO 0.71 0.18 -1.66 0.00 -0.23 0.00 0.00 178.00 177.00 2crp h ALA 71 N 1.82 0.35 0.03 -0.56 0.00 -2.00 -3.37 119.26 115.52 2crp h ALA 71 Ca -0.00 -1.31 -0.00 0.00 0.00 0.00 0.00 54.91 53.60 2crp h ALA 71 Cb 0.63 0.72 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2crp h ALA 71 CO 0.02 1.03 -0.01 -0.22 0.00 0.00 0.00 179.25 180.07 2crp h LYS 72 N -0.41 -0.03 -1.13 0.00 1.63 -1.94 0.42 116.57 115.11 2crp h LYS 72 Ca -0.39 0.00 0.36 0.00 -0.85 0.00 0.00 60.65 59.77 2crp h LYS 72 Cb 1.71 0.01 -0.13 0.00 -0.60 0.00 0.00 32.23 33.22 2crp h LYS 72 CO -0.04 0.11 0.69 0.52 -3.45 0.00 0.00 179.45 177.28 2crp h MET 73 N -0.18 0.22 0.00 1.90 2.86 -1.54 0.65 114.93 118.85 2crp h MET 73 Ca -0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2crp h MET 73 Cb 0.16 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.77 2crp h MET 73 CO 0.01 0.15 -0.45 0.00 1.06 0.00 0.00 176.91 177.67 2crp h ALA 74 N 1.72 0.00 -0.22 6.32 0.00 -1.64 -3.29 119.26 122.15 2crp h ALA 74 Ca 0.75 -0.46 0.05 0.00 0.00 0.00 0.00 54.91 55.24 2crp h ALA 74 Cb 2.02 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 20.18 2crp h ALA 74 CO -0.49 0.45 -0.43 0.93 0.00 0.00 0.00 179.25 179.71 2crp h GLU 75 N -0.93 -0.43 -0.83 0.00 5.08 0.18 -0.70 114.58 116.95 2crp h GLU 75 Ca 0.00 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.57 2crp h GLU 75 Cb 0.45 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.69 2crp h GLU 75 CO 0.00 -0.29 0.34 -0.22 -1.00 0.00 0.00 179.01 177.85 2crp h LYS 76 N -0.44 0.42 -0.49 2.33 1.63 0.12 -0.83 116.57 119.30 2crp h LYS 76 Ca 0.09 -0.03 0.10 0.00 -0.85 0.00 0.00 60.65 59.97 2crp h LYS 76 Cb 0.61 -0.09 -0.10 0.00 -0.60 0.00 0.00 32.23 32.05 2crp h LYS 76 CO -0.45 0.28 -0.17 0.00 -3.45 0.00 0.00 179.45 175.66 2crp h ALA 77 N 1.63 0.25 -0.38 5.00 0.00 -1.20 0.13 119.26 124.69 2crp h ALA 77 Ca 0.48 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.57 2crp h ALA 77 Cb 0.82 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2crp h ALA 77 CO -0.47 -0.49 0.21 1.57 0.00 0.00 0.00 179.25 180.07 2crp h LYS 78 N -0.05 0.51 0.32 0.00 2.10 -0.87 -2.68 116.57 115.89 2crp h LYS 78 Ca 0.24 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.83 2crp h LYS 78 Cb 0.41 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.63 2crp h LYS 78 CO -0.53 0.38 -0.21 1.96 -2.00 0.00 0.00 179.45 179.05 2crp h GLN 79 N 0.52 -0.49 -0.45 0.07 4.20 -0.34 0.27 115.11 118.89 2crp h GLN 79 Ca 0.14 0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.93 2crp h GLN 79 Cb 0.01 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2crp h GLN 79 CO -0.02 -0.33 0.30 0.82 -0.67 0.00 0.00 178.83 178.93 2crp h ILE 80 N -0.51 0.98 -0.05 2.54 2.04 -1.15 -1.78 117.51 119.58 2crp h ILE 80 Ca -0.03 -0.13 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 2crp h ILE 80 Cb 0.43 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2crp h ILE 80 CO 0.02 0.07 -0.31 0.22 0.00 0.00 0.00 178.15 178.16 2crp h TYR 81 N 0.39 0.41 0.00 1.37 5.03 -1.10 0.36 116.97 123.43 2crp h TYR 81 Ca 0.19 -0.19 0.00 0.00 2.58 0.00 0.00 58.73 61.32 2crp h TYR 81 Cb 0.27 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.49 2crp h TYR 81 CO -0.00 0.93 0.00 0.39 -1.32 0.00 0.00 178.16 178.16 2crp n GLU 82 N -4.45 0.05 -0.11 1.82 -0.58 0.91 0.19 120.64 118.49 2crp n GLU 82 Ca -0.09 0.28 -0.22 0.00 -0.42 0.00 0.00 57.16 56.72 2crp n GLU 82 Cb 0.50 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.80 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 0.47 -0.09 3.49 2.13 -0.72 -4.56 120.64 119.94 2crp n GLU 83 Ca 0.03 0.20 -0.17 0.00 0.66 0.00 0.00 57.16 57.88 2crp n GLU 83 Cb 0.10 -1.29 -0.06 0.00 0.27 0.00 0.00 31.44 30.46 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 -4.05 0.00 0.85 4.31 3.72 0.10 -3.69 117.46 118.70 2crp n PHE 84 Ca -0.39 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 2crp n PHE 84 Cb 0.75 -0.65 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 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 -4.16 0.48 -4.09 4.37 2.08 0.54 -4.14 119.36 114.44 2crp n ILE 85 Ca -0.31 0.00 -0.32 0.00 0.56 0.00 0.00 62.75 62.69 2crp n ILE 85 Cb 0.65 -0.71 -0.07 0.00 -0.75 0.00 0.00 39.64 38.76 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 -0.35 2.95 0.07 0.38 0.74 0.52 -4.65 119.66 119.32 2crp s GLN 86 Ca 0.00 -0.60 -0.35 0.00 0.05 0.00 0.00 55.36 54.47 2crp s GLN 86 Cb 0.00 -2.78 -0.14 0.00 1.10 0.00 0.00 33.01 31.19 2crp s GLN 86 CO 0.00 0.61 1.61 2.41 -0.55 0.00 0.00 175.29 179.37 2crp n THR 87 N 0.85 0.15 -3.15 -0.34 -1.04 -1.26 -0.99 114.28 108.49 2crp n THR 87 Ca -0.11 -0.03 -0.17 0.00 -2.04 0.00 0.00 64.05 61.70 2crp n THR 87 Cb 0.52 -1.47 -0.02 0.00 -1.82 0.00 0.00 70.33 67.54 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 4.09 -2.60 -0.77 -2.82 -0.58 -1.26 -4.86 120.64 111.85 2crp n GLU 88 Ca 0.19 0.26 -0.33 0.00 -0.42 0.00 0.00 57.16 56.86 2crp n GLU 88 Cb 0.26 -4.86 0.13 0.00 -0.57 0.00 0.00 31.44 26.41 2crp n GLU 88 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2crp n ALA 89 N -3.08 -3.15 0.07 0.62 0.00 -0.17 -4.90 120.51 109.91 2crp n ALA 89 Ca -0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 53.44 52.59 2crp n ALA 89 Cb 0.52 -1.69 0.18 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.69 0.30 0.00 0.00 0.13 -1.89 -3.22 132.00 125.62 2crp h PRO 90 Ca -0.46 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2crp h PRO 90 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2crp h PRO 90 CO 0.35 0.69 -0.02 1.63 -0.23 0.00 0.00 178.00 180.43 2crp n LYS 91 N -3.99 2.01 -1.12 0.86 5.02 -1.24 -5.04 118.16 114.65 2crp n LYS 91 Ca -0.02 -1.92 -0.42 0.00 -2.02 0.00 0.00 58.31 53.94 2crp n LYS 91 Cb 0.52 -1.18 -0.11 0.00 -0.02 0.00 0.00 35.03 34.23 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 -0.88 0.00 -0.57 1.97 2.13 -1.22 -4.77 120.64 117.30 2crp n GLU 92 Ca 0.07 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.59 2crp n GLU 92 Cb 0.45 -1.23 0.27 0.00 0.27 0.00 0.00 31.44 31.20 2crp n GLU 92 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2crp s VAL 93 N 6.07 1.38 -0.72 6.31 -7.23 -1.26 -4.93 120.40 120.02 2crp s VAL 93 Ca 1.04 0.00 -0.20 0.00 -1.81 0.00 0.00 61.98 61.02 2crp s VAL 93 Cb -1.14 -2.18 0.11 0.00 0.56 0.00 0.00 36.38 33.73 2crp s VAL 93 CO 0.48 0.00 0.91 0.21 -0.31 0.00 0.00 175.10 176.38 2crp s ASN 94 N -3.28 6.34 -0.17 4.85 2.47 -1.26 -4.97 114.94 118.92 2crp s ASN 94 Ca 0.69 -1.55 -0.04 0.00 0.42 0.00 0.00 52.86 52.38 2crp s ASN 94 Cb -0.13 -2.36 0.08 0.00 -1.45 0.00 0.00 41.25 37.39 2crp s ASN 94 CO 0.58 -1.17 0.21 0.27 -3.72 0.00 0.00 177.10 173.27 2crp s ILE 95 N 2.94 -0.31 1.02 -5.21 -4.36 -1.26 -4.78 121.20 109.24 2crp s ILE 95 Ca 0.21 0.00 -0.16 0.00 -0.26 0.00 0.00 60.65 60.45 2crp s ILE 95 Cb -0.16 -0.58 0.05 0.00 1.25 0.00 0.00 42.46 43.02 2crp s ILE 95 CO 0.02 -0.12 0.15 -0.67 0.24 0.00 0.00 174.94 174.56 2crp n ASP 96 N 5.32 -2.40 -0.20 4.36 2.03 -1.26 -4.38 116.55 120.02 2crp n ASP 96 Ca -0.05 0.13 0.18 0.00 0.52 0.00 0.00 54.79 55.57 2crp n ASP 96 Cb 0.50 -1.07 0.52 0.00 -0.72 0.00 0.00 41.12 40.34 2crp n ASP 96 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2crp h HIS 97 N -1.73 0.49 0.00 -0.67 3.86 -2.01 -0.85 115.15 114.25 2crp h HIS 97 Ca -0.47 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 2crp h HIS 97 Cb 1.32 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.63 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 -4.48 0.00 -0.05 2.45 7.35 -1.26 -0.28 117.46 121.18 2crp n PHE 98 Ca 0.17 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.77 2crp n PHE 98 Cb 0.63 -0.46 -0.03 0.00 0.35 0.00 0.00 39.48 39.97 2crp n PHE 98 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 2crp h THR 99 N 0.00 1.01 -0.58 -2.13 2.02 -1.84 -2.70 112.91 108.70 2crp h THR 99 Ca 0.00 -0.09 0.11 0.00 0.77 0.00 0.00 66.41 67.21 2crp h THR 99 Cb 0.00 0.73 -0.11 0.00 -1.74 0.00 0.00 68.15 67.03 2crp h THR 99 CO 0.00 0.05 -0.23 0.50 0.37 0.00 0.00 175.52 176.21 2crp h LYS 100 N 0.26 -0.08 -0.46 6.66 3.11 -1.10 -0.14 116.57 124.83 2crp h LYS 100 Ca 0.09 0.01 0.06 0.00 -2.81 0.00 0.00 60.65 57.99 2crp h LYS 100 Cb 0.01 0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.20 2crp h LYS 100 CO -0.05 -0.05 0.16 0.22 -2.81 0.00 0.00 179.45 176.92 2crp h ASP 101 N -0.08 0.16 -0.24 4.20 1.82 -0.40 -3.03 116.42 118.86 2crp h ASP 101 Ca 0.27 0.06 0.02 0.00 -0.39 0.00 0.00 57.03 56.99 2crp h ASP 101 Cb 0.50 0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.51 2crp h ASP 101 CO -0.64 0.12 -0.21 0.40 -1.61 0.00 0.00 179.24 177.30 2crp h ILE 102 N 0.33 0.00 -0.99 2.25 1.08 -0.71 -1.04 117.51 118.42 2crp h ILE 102 Ca 0.22 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.85 2crp h ILE 102 Cb 0.22 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 33.80 2crp h ILE 102 CO -0.22 0.00 -0.36 0.41 -0.69 0.00 0.00 178.15 177.29 2crp n THR 103 N -3.75 -0.50 -0.14 -0.27 -1.04 -1.09 -0.41 114.28 107.07 2crp n THR 103 Ca -0.00 2.32 -0.09 0.00 -2.04 0.00 0.00 64.05 64.23 2crp n THR 103 Cb 0.11 -3.10 -0.04 0.00 -1.82 0.00 0.00 70.33 65.49 2crp n THR 103 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 2crp h MET 104 N 0.00 -0.29 0.00 -2.82 2.86 -1.16 0.77 114.93 114.29 2crp h MET 104 Ca 0.38 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.04 2crp h MET 104 Cb 0.63 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2crp h MET 104 CO -1.00 -0.19 0.00 0.87 1.06 0.00 0.00 176.91 177.65 2crp h LYS 105 N -0.30 0.00 -0.30 1.72 1.57 -0.15 0.18 116.57 119.29 2crp h LYS 105 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2crp h LYS 105 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2crp h LYS 105 CO -0.60 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.37 2crp n ASN 106 N -2.94 2.28 -0.44 0.86 3.02 0.26 -3.80 115.26 114.50 2crp n ASN 106 Ca -0.02 -1.86 0.13 0.00 -0.03 0.00 0.00 54.58 52.80 2crp n ASN 106 Cb 0.08 -0.19 0.37 0.00 -0.61 0.00 0.00 39.78 39.43 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 0.73 1.53 -0.00 3.41 4.77 0.62 -3.26 117.00 124.80 2crp n LEU 107 Ca 0.17 -0.49 -0.04 0.00 -0.03 0.00 0.00 56.01 55.62 2crp n LEU 107 Cb 0.41 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 2crp n LEU 107 CO 0.13 0.27 0.12 0.58 -1.33 0.00 0.00 177.39 177.15 2crp h VAL 108 N 2.17 0.28 -1.48 4.08 2.07 -1.71 -3.40 116.25 118.26 2crp h VAL 108 Ca 0.00 -1.10 -0.56 0.00 0.82 0.00 0.00 66.70 65.87 2crp h VAL 108 Cb 0.58 0.51 -0.42 0.00 -1.52 0.00 0.00 31.29 30.45 2crp h VAL 108 CO 0.00 0.09 -0.79 -0.62 0.02 0.00 0.00 177.57 176.27 2crp n GLU 109 N -4.84 3.10 -2.24 1.57 1.02 -1.26 -5.08 120.64 112.92 2crp n GLU 109 Ca -0.03 -4.35 -0.41 0.00 -0.02 0.00 0.00 57.16 52.35 2crp n GLU 109 Cb 0.12 -2.11 -0.03 0.00 -0.02 0.00 0.00 31.44 29.39 2crp n GLU 109 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2crp s PRO 110 N -3.48 4.43 0.03 3.49 0.04 -1.20 -4.94 135.00 133.38 2crp s PRO 110 Ca 0.45 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2crp s PRO 110 Cb 0.40 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.80 2crp s PRO 110 CO -0.16 -0.12 0.00 0.43 0.04 0.00 0.00 177.00 177.19 2crp n SER 111 N 1.60 0.04 0.00 6.66 7.64 -1.26 -4.55 113.62 123.75 2crp n SER 111 Ca 0.02 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2crp n SER 111 Cb 0.43 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 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 -2.62 0.47 -1.30 -3.43 4.77 -1.26 -4.80 117.00 108.83 2crp n LEU 112 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2crp n LEU 112 Cb 0.00 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.27 2crp n LEU 112 CO 0.00 -0.10 0.64 -1.20 -1.33 0.00 0.00 177.39 175.40 2crp n SER 113 N -2.27 3.41 -0.30 -1.43 7.64 -1.26 -4.38 113.62 115.04 2crp n SER 113 Ca 0.00 -2.55 0.03 0.00 1.01 0.00 0.00 58.87 57.36 2crp n SER 113 Cb 0.16 -0.61 0.17 0.00 -1.01 0.00 0.00 64.21 62.92 2crp n SER 113 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2crp h SER 114 N 1.70 0.71 -0.83 6.43 4.64 -1.87 -1.84 113.55 122.49 2crp h SER 114 Ca 0.07 0.05 -0.57 0.00 -0.47 0.00 0.00 61.79 60.87 2crp h SER 114 Cb 1.41 -0.09 -0.32 0.00 -0.31 0.00 0.00 62.40 63.09 2crp h SER 114 CO 0.32 0.40 0.13 0.49 -0.87 0.00 0.00 176.83 177.30 2crp n PHE 115 N -4.73 2.80 0.06 4.77 3.01 -1.26 -4.72 117.46 117.39 2crp n PHE 115 Ca 0.14 -2.51 -0.13 0.00 1.01 0.00 0.00 57.45 55.96 2crp n PHE 115 Cb 0.28 -0.91 -0.08 0.00 -0.01 0.00 0.00 39.48 38.76 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 1.89 -0.08 0.54 4.37 1.82 -1.63 -0.77 116.42 122.56 2crp h ASP 116 Ca 0.48 -0.14 -0.03 0.00 -0.39 0.00 0.00 57.03 56.95 2crp h ASP 116 Cb 1.29 0.02 0.01 0.00 0.68 0.00 0.00 39.33 41.33 2crp h ASP 116 CO 1.12 0.09 -0.26 -0.03 -1.61 0.00 0.00 179.24 178.55 2crp h MET 117 N -0.26 -0.70 -0.88 0.28 4.05 -1.84 -2.23 114.93 113.35 2crp h MET 117 Ca -0.01 0.05 0.23 0.00 -0.28 0.00 0.00 59.70 59.68 2crp h MET 117 Cb 0.22 0.16 -0.13 0.00 -0.80 0.00 0.00 31.60 31.05 2crp h MET 117 CO 0.02 -0.42 0.33 0.00 0.23 0.00 0.00 176.91 177.07 2crp h ALA 118 N -0.99 1.36 0.71 0.39 0.00 -1.87 0.65 119.26 119.51 2crp h ALA 118 Ca -0.07 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2crp h ALA 118 Cb 0.61 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.62 2crp h ALA 118 CO 0.12 -0.40 -0.34 0.37 0.00 0.00 0.00 179.25 179.00 2crp h GLN 119 N 0.31 -0.92 0.00 0.00 4.15 -1.14 -1.63 115.11 115.89 2crp h GLN 119 Ca 0.55 0.06 -0.01 0.00 0.77 0.00 0.00 58.65 60.03 2crp h GLN 119 Cb 1.09 0.21 -0.00 0.00 0.21 0.00 0.00 27.48 28.98 2crp h GLN 119 CO -0.58 -0.59 -0.05 1.57 -1.93 0.00 0.00 178.83 177.26 2crp h LYS 120 N -1.05 0.00 0.45 1.69 2.10 -0.64 -0.08 116.57 119.03 2crp h LYS 120 Ca -0.10 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.53 2crp h LYS 120 Cb 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 2crp h LYS 120 CO 0.16 0.05 -0.22 -0.09 -2.00 0.00 0.00 179.45 177.35 2crp h ARG 121 N 0.00 -0.58 -0.46 0.07 1.12 0.56 -2.02 114.38 113.07 2crp h ARG 121 Ca -0.00 0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 58.84 2crp h ARG 121 Cb 0.10 0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 30.18 2crp h ARG 121 CO 0.01 -0.27 0.02 0.82 -3.11 0.00 0.00 179.97 177.43 2crp h ILE 122 N -0.94 1.26 -0.83 1.20 1.08 -1.07 -2.83 117.51 115.38 2crp h ILE 122 Ca -0.06 -1.02 0.10 0.00 -0.39 0.00 0.00 64.86 63.49 2crp h ILE 122 Cb 0.58 1.01 -0.06 0.00 -3.07 0.00 0.00 36.82 35.27 2crp h ILE 122 CO 0.10 0.36 0.54 -0.74 -0.69 0.00 0.00 178.15 177.72 2crp h HIS 123 N 0.66 0.84 0.00 1.37 2.76 -1.07 0.18 115.15 119.89 2crp h HIS 123 Ca 0.13 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 2crp h HIS 123 Cb 0.48 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 2crp h HIS 123 CO 0.04 0.38 -0.12 0.00 -1.30 0.00 0.00 177.93 176.93 2crp h ALA 124 N 1.58 1.01 0.16 5.26 0.00 -1.12 -2.60 119.26 123.54 2crp h ALA 124 Ca 0.39 -0.11 -0.27 0.00 0.00 0.00 0.00 54.91 54.91 2crp h ALA 124 Cb 0.46 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.24 2crp h ALA 124 CO -0.16 0.15 -1.31 1.25 0.00 0.00 0.00 179.25 179.18 2crp h LEU 125 N 0.00 0.51 -0.14 0.00 5.85 -0.54 -2.79 115.31 118.20 2crp h LEU 125 Ca -0.00 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 57.81 2crp h LEU 125 Cb 0.68 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2crp h LEU 125 CO 0.02 1.60 0.00 0.23 -0.34 0.00 0.00 178.44 179.95 2crp n MET 126 N -3.90 0.05 -0.04 1.25 0.00 -0.27 0.11 117.12 114.33 2crp n MET 126 Ca -0.21 0.25 0.01 0.00 0.00 0.00 0.00 57.70 57.76 2crp n MET 126 Cb 0.94 -1.59 -0.15 0.00 0.00 0.00 0.00 33.22 32.42 2crp n MET 126 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2crp n GLU 127 N -1.68 0.67 0.00 0.03 0.28 -0.99 0.45 120.64 119.40 2crp n GLU 127 Ca 0.04 -0.07 0.05 0.00 -0.16 0.00 0.00 57.16 57.02 2crp n GLU 127 Cb 0.22 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 31.53 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 -2.54 1.93 0.01 3.44 -0.00 -1.03 -4.05 118.16 115.91 2crp n LYS 128 Ca -0.16 -0.66 -0.01 0.00 -0.00 0.00 0.00 58.31 57.48 2crp n LYS 128 Cb 0.84 -1.10 -0.00 0.00 -0.00 0.00 0.00 35.03 34.77 2crp n LYS 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2crp n ASP 129 N -0.17 0.54 0.01 -5.58 -0.08 0.30 -4.72 116.55 106.84 2crp n ASP 129 Ca 0.04 0.07 -0.09 0.00 -1.51 0.00 0.00 54.79 53.31 2crp n ASP 129 Cb 0.22 -0.23 -0.07 0.00 2.34 0.00 0.00 41.12 43.38 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 -0.08 -0.12 -0.91 1.67 0.02 -1.58 -2.86 113.55 109.69 2crp h SER 130 Ca 0.00 -0.38 0.14 0.00 -0.84 0.00 0.00 61.79 60.71 2crp h SER 130 Cb 0.08 0.03 -0.15 0.00 0.14 0.00 0.00 62.40 62.51 2crp h SER 130 CO 0.00 0.51 -0.36 -0.11 -1.14 0.00 0.00 176.83 175.73 2crp n LEU 131 N -4.83 -0.60 0.26 5.07 7.94 0.17 0.23 117.00 125.24 2crp n LEU 131 Ca -0.06 1.59 0.14 0.00 -1.11 0.00 0.00 56.01 56.57 2crp n LEU 131 Cb 0.24 -0.36 0.63 0.00 0.53 0.00 0.00 43.42 44.46 2crp n LEU 131 CO 0.20 -1.42 0.93 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 -2.58 132.00 129.81 2crp h PRO 132 Ca 0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.44 2crp h PRO 132 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2crp h PRO 132 CO -0.90 0.10 -0.96 0.54 -0.23 0.00 0.00 178.00 176.55 2crp n ARG 133 N -3.26 0.21 0.06 0.86 1.74 0.56 -4.06 116.66 112.77 2crp n ARG 133 Ca 0.00 -0.01 -0.19 0.00 -0.77 0.00 0.00 57.85 56.88 2crp n ARG 133 Cb 0.33 -1.56 -0.14 0.00 -1.02 0.00 0.00 32.46 30.07 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 0.55 -0.57 -1.55 3.57 0.33 -3.28 116.94 115.97 2crp h PHE 134 Ca 0.00 -0.40 -0.05 0.00 3.53 0.00 0.00 57.97 61.05 2crp h PHE 134 Cb 0.66 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 2crp h PHE 134 CO 0.00 1.52 0.16 -0.39 -2.23 0.00 0.00 178.31 177.38 2crp h VAL 135 N 0.08 1.23 -0.08 1.41 -1.51 -1.65 -2.36 116.25 113.37 2crp h VAL 135 Ca -0.30 -0.79 -0.08 0.00 -1.23 0.00 0.00 66.70 64.29 2crp h VAL 135 Cb 2.05 0.61 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 2crp h VAL 135 CO 0.16 0.30 -0.31 0.03 -1.23 0.00 0.00 177.57 176.52 2crp h ARG 136 N 0.84 0.14 -7.32 5.19 3.08 -1.70 -3.39 114.38 111.23 2crp h ARG 136 Ca 0.19 -0.05 -0.48 0.00 0.07 0.00 0.00 59.98 59.71 2crp h ARG 136 Cb 0.27 -0.01 0.16 0.00 0.08 0.00 0.00 29.97 30.47 2crp h ARG 136 CO -0.01 0.45 0.22 -1.54 -1.07 0.00 0.00 179.97 178.02 2crp s SER 137 N -6.90 3.09 0.07 7.04 1.04 -0.89 -4.89 113.70 112.27 2crp s SER 137 Ca -0.04 1.50 -0.22 0.00 0.48 0.00 0.00 55.95 57.67 2crp s SER 137 Cb 0.14 -2.17 -0.13 0.00 0.10 0.00 0.00 66.02 63.96 2crp s SER 137 CO 0.74 -2.88 1.62 -0.08 0.98 0.00 0.00 173.24 173.63 2crp h GLU 138 N -1.72 0.12 -0.77 4.02 4.22 -1.86 -2.85 114.58 115.75 2crp h GLU 138 Ca -0.51 -0.02 0.29 0.00 0.08 0.00 0.00 59.36 59.20 2crp h GLU 138 Cb 1.29 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.42 2crp h GLU 138 CO 0.54 0.22 0.46 1.19 -2.18 0.00 0.00 179.01 179.24 2crp n PHE 139 N -4.95 0.57 -0.08 0.92 3.01 -1.26 0.15 117.46 115.82 2crp n PHE 139 Ca -0.06 0.57 -0.16 0.00 1.01 0.00 0.00 57.45 58.81 2crp n PHE 139 Cb 0.10 -0.98 -0.13 0.00 -0.01 0.00 0.00 39.48 38.46 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 0.00 -1.18 1.38 3.20 -1.65 -3.20 116.97 115.52 2crp h TYR 140 Ca 0.55 -0.00 0.33 0.00 3.14 0.00 0.00 58.73 62.75 2crp h TYR 140 Cb 1.63 -0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.83 2crp h TYR 140 CO -0.00 1.11 0.81 1.96 -1.64 0.00 0.00 178.16 180.40 2crp h GLN 141 N -0.99 0.14 0.00 1.82 1.08 0.15 1.18 115.11 118.49 2crp h GLN 141 Ca -0.08 -0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 56.99 2crp h GLN 141 Cb 1.07 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.45 2crp h GLN 141 CO -0.04 0.09 -0.58 1.05 -0.95 0.00 0.00 178.83 178.40 2crp h GLU 142 N 0.14 0.00 -0.03 1.46 4.11 -1.21 1.07 114.58 120.13 2crp h GLU 142 Ca 0.61 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.87 2crp h GLU 142 Cb 2.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.33 2crp h GLU 142 CO -0.15 0.58 -0.77 -0.07 0.07 0.00 0.00 179.01 178.67 2crp h LEU 143 N 0.00 0.28 0.00 3.06 3.38 0.14 -1.81 115.31 120.36 2crp h LEU 143 Ca -0.01 -0.20 -0.33 0.00 0.09 0.00 0.00 57.88 57.44 2crp h LEU 143 Cb 1.39 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 42.01 2crp h LEU 143 CO 0.07 0.94 -2.19 2.30 0.09 0.00 0.00 178.44 179.65 2crp n ILE 144 N -3.75 1.19 -1.45 1.22 -5.35 -0.57 -4.57 119.36 106.07 2crp n ILE 144 Ca -0.03 -0.40 -0.29 0.00 -0.27 0.00 0.00 62.75 61.76 2crp n ILE 144 Cb 0.73 -1.42 0.10 0.00 -1.74 0.00 0.00 39.64 37.30 2crp n ILE 144 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2crp n SER 145 N -3.41 6.14 -1.41 7.28 7.64 0.37 -4.52 113.62 125.72 2crp n SER 145 Ca -0.39 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 55.74 2crp n SER 145 Cb 0.86 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2crp n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crp n GLY 146 N -0.94 0.30 0.00 0.23 0.00 -0.68 -4.63 105.19 99.48 2crp n GLY 146 Ca 0.57 -1.34 0.07 0.00 0.00 0.00 0.00 46.02 45.32 2crp n GLY 146 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crp n PRO 147 N 0.00 0.49 -4.17 1.61 -0.04 -1.26 -4.74 135.00 126.90 2crp n PRO 147 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 2crp n PRO 147 Cb 0.00 -1.44 -0.06 0.00 -0.04 0.00 0.00 33.50 31.96 2crp n PRO 147 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2crp s SER 148 N -1.95 4.43 0.42 3.54 0.15 -1.26 -5.14 113.70 113.89 2crp s SER 148 Ca 0.21 -1.19 -0.01 0.00 0.70 0.00 0.00 55.95 55.66 2crp s SER 148 Cb 0.10 -0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 64.22 2crp s SER 148 CO 0.16 -0.70 0.65 -0.55 1.20 0.00 0.00 173.24 174.01 2crp s SER 149 N -3.98 6.14 0.00 5.45 0.15 -1.26 -4.78 113.70 115.41 2crp s SER 149 Ca 0.35 0.54 0.21 0.00 0.70 0.00 0.00 55.95 57.75 2crp s SER 149 Cb 0.02 -1.94 0.17 0.00 -1.71 0.00 0.00 66.02 62.55 2crp s SER 149 CO 0.20 -0.50 1.16 0.61 1.20 0.00 0.00 173.24 175.90