#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r5s n PRO 2 N 0.00 1.96 -2.75 1.61 -0.04 -1.26 -4.91 135.00 129.61 1r5s n PRO 2 Ca 0.00 -1.05 -0.06 0.00 -0.04 0.00 0.00 63.50 62.35 1r5s n PRO 2 Cb 0.00 -1.61 0.01 0.00 -0.04 0.00 0.00 33.50 31.85 1r5s n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1r5s n LEU 3 N 0.10 -7.68 0.00 1.53 4.32 -1.26 -4.83 117.00 109.18 1r5s n LEU 3 Ca 0.14 0.74 0.00 0.00 -0.02 0.00 0.00 56.01 56.87 1r5s n LEU 3 Cb 0.71 -3.27 0.00 0.00 -1.62 0.00 0.00 43.42 39.24 1r5s n LEU 3 CO 0.15 -2.47 0.00 0.61 -1.22 0.00 0.00 177.39 174.46 1r5s n GLY 4 N -0.05 2.15 2.43 -0.72 0.00 -1.26 -5.03 105.19 102.72 1r5s n GLY 4 Ca 0.08 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 1r5s n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r5s n SER 5 N 0.00 -1.15 0.00 1.61 3.41 -1.26 -4.96 113.62 111.26 1r5s n SER 5 Ca 0.00 -2.90 0.12 0.00 -0.26 0.00 0.00 58.87 55.82 1r5s n SER 5 Cb 0.00 0.37 0.69 0.00 -0.26 0.00 0.00 64.21 65.01 1r5s n SER 5 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1r5s n PRO 6 N 1.67 1.00 -0.28 4.33 -0.04 -1.26 -3.15 135.00 137.26 1r5s n PRO 6 Ca 0.17 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.75 1r5s n PRO 6 Cb 0.56 -1.37 0.28 0.00 -0.04 0.00 0.00 33.50 32.93 1r5s n PRO 6 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1r5s n SER 7 N -0.87 3.60 0.00 3.54 2.88 -1.26 -4.92 113.62 116.60 1r5s n SER 7 Ca 0.17 -1.99 0.00 0.00 -1.33 0.00 0.00 58.87 55.73 1r5s n SER 7 Cb 0.08 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 1r5s n SER 7 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1r5s n LYS 8 N 1.51 0.00 0.00 -1.46 4.01 -1.19 -2.83 118.16 118.20 1r5s n LYS 8 Ca 0.22 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.02 1r5s n LYS 8 Cb 0.59 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.11 1r5s n LYS 8 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1r5s n ASP 9 N 1.16 0.00 0.00 4.39 5.75 -1.26 -5.06 116.55 121.53 1r5s n ASP 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1r5s n ASP 9 Cb 0.00 0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1r5s n ASP 9 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r5s n GLY 11 N 0.00 0.79 2.81 0.00 0.00 -1.26 -5.15 105.19 102.38 1r5s n GLY 11 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1r5s n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r5s s SER 12 N -0.49 0.36 -0.83 1.61 0.01 -1.26 -5.08 113.70 108.03 1r5s s SER 12 Ca 0.00 0.19 -0.20 0.00 1.31 0.00 0.00 55.95 57.25 1r5s s SER 12 Cb 0.00 0.07 -0.19 0.00 0.21 0.00 0.00 66.02 66.11 1r5s s SER 12 CO 0.00 -0.18 2.18 -2.65 0.41 0.00 0.00 173.24 173.00 1r5s n PRO 13 N 4.64 0.30 -3.31 12.44 -0.02 -1.26 -2.94 135.00 144.85 1r5s n PRO 13 Ca -0.18 -0.74 -0.15 0.00 -2.02 0.00 0.00 63.50 60.41 1r5s n PRO 13 Cb 0.50 -2.89 0.05 0.00 -0.02 0.00 0.00 33.50 31.14 1r5s n PRO 13 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1r5s n LYS 14 N 7.56 -1.80 -3.32 -0.52 4.01 -1.26 -4.99 118.16 117.84 1r5s n LYS 14 Ca 0.47 0.93 -0.26 0.00 -0.51 0.00 0.00 58.31 58.94 1r5s n LYS 14 Cb 0.38 -5.35 -0.09 0.00 -0.51 0.00 0.00 35.03 29.46 1r5s n LYS 14 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 1r5s n TYR 15 N -3.05 -0.27 0.00 2.13 9.36 -1.15 -4.99 117.16 119.19 1r5s n TYR 15 Ca -0.07 -3.51 0.00 0.00 3.32 0.00 0.00 57.90 57.64 1r5s n TYR 15 Cb 0.59 -0.10 0.00 0.00 -0.63 0.00 0.00 39.34 39.20 1r5s n TYR 15 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1r5s n ALA 16 N 2.03 0.00 -2.72 2.98 0.00 -1.26 -4.88 120.51 116.66 1r5s n ALA 16 Ca 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.65 1r5s n ALA 16 Cb 0.49 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.05 1r5s n ALA 16 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1r5s n TYR 17 N -1.53 -1.01 -2.80 0.00 4.01 -1.26 -5.05 117.16 109.52 1r5s n TYR 17 Ca 0.00 -1.90 -0.17 0.00 -0.16 0.00 0.00 57.90 55.67 1r5s n TYR 17 Cb 0.00 0.97 0.01 0.00 -0.31 0.00 0.00 39.34 40.01 1r5s n TYR 17 CO 0.00 0.00 0.00 1.97 -0.46 0.00 0.00 176.86 178.37 1r5s n PHE 18 N -1.14 -1.24 -0.73 -0.72 -1.74 -1.26 -4.81 117.46 105.83 1r5s n PHE 18 Ca -0.08 0.51 -0.16 0.00 -0.56 0.00 0.00 57.45 57.16 1r5s n PHE 18 Cb 0.85 -1.21 0.16 0.00 1.52 0.00 0.00 39.48 40.80 1r5s n PHE 18 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1r5s n ASN 19 N -0.46 3.72 0.00 5.98 3.02 -1.26 -4.77 115.26 121.49 1r5s n ASN 19 Ca -0.12 -3.21 0.00 0.00 -0.03 0.00 0.00 54.58 51.22 1r5s n ASN 19 Cb 0.37 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 1r5s n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r5s n GLY 20 N -0.66 0.56 0.03 7.41 0.00 -1.26 -5.10 105.19 106.18 1r5s n GLY 20 Ca 0.44 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1r5s n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r5s n SER 22 N -0.88 -5.20 -3.25 0.00 2.88 -1.26 -3.30 113.62 102.60 1r5s n SER 22 Ca 0.00 0.15 -0.09 0.00 -1.33 0.00 0.00 58.87 57.60 1r5s n SER 22 Cb 0.00 -4.27 0.01 0.00 -0.75 0.00 0.00 64.21 59.20 1r5s n SER 22 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1r5s n SER 23 N -1.23 -6.98 -0.14 -3.46 7.64 -1.26 -4.88 113.62 103.31 1r5s n SER 23 Ca -0.20 -0.38 0.11 0.00 1.01 0.00 0.00 58.87 59.41 1r5s n SER 23 Cb 0.64 -4.57 0.57 0.00 -1.01 0.00 0.00 64.21 59.83 1r5s n SER 23 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1r5s n PRO 24 N -2.31 1.18 -0.19 1.43 -0.04 -1.21 -3.86 135.00 130.00 1r5s n PRO 24 Ca -0.07 -0.27 -0.07 0.00 -0.04 0.00 0.00 63.50 63.05 1r5s n PRO 24 Cb 0.55 -1.35 0.08 0.00 -0.04 0.00 0.00 33.50 32.74 1r5s n PRO 24 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1r5s h THR 25 N 0.56 1.26 0.00 0.52 2.02 -1.91 -3.47 112.91 111.89 1r5s h THR 25 Ca 0.00 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1r5s h THR 25 Cb 0.12 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1r5s h THR 25 CO 0.00 0.39 0.00 0.00 0.37 0.00 0.00 175.52 176.28 1r5s n ALA 26 N -2.48 0.00 -1.42 6.16 0.00 -1.25 -5.15 120.51 116.38 1r5s n ALA 26 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.10 1r5s n ALA 26 Cb 0.32 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.82 1r5s n ALA 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1r5s n PRO 27 N -2.73 0.48 -0.07 0.00 -0.04 -1.26 -4.95 135.00 126.42 1r5s n PRO 27 Ca 0.00 0.20 -0.08 0.00 -0.04 0.00 0.00 63.50 63.57 1r5s n PRO 27 Cb 0.00 -1.79 -0.10 0.00 -0.04 0.00 0.00 33.50 31.57 1r5s n PRO 27 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1r5s n LEU 28 N 0.12 0.73 0.00 1.53 7.99 -1.26 -4.66 117.00 121.45 1r5s n LEU 28 Ca 0.11 -0.02 0.00 0.00 -0.01 0.00 0.00 56.01 56.09 1r5s n LEU 28 Cb 0.48 0.10 0.00 0.00 -0.11 0.00 0.00 43.42 43.90 1r5s n LEU 28 CO 0.50 0.45 0.00 -0.24 -1.51 0.00 0.00 177.39 176.59 1r5s n SER 29 N -2.63 0.00 0.00 -1.43 2.88 -1.26 -4.96 113.62 106.23 1r5s n SER 29 Ca -0.24 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.33 1r5s n SER 29 Cb 0.92 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.54 1r5s n SER 29 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1r5s n PRO 30 N 0.00 0.08 -2.46 -1.46 -0.02 -1.26 -4.92 135.00 124.96 1r5s n PRO 30 Ca 0.00 0.25 -0.03 0.00 -2.02 0.00 0.00 63.50 61.69 1r5s n PRO 30 Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 1r5s n PRO 30 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1r5s n MET 31 N -1.32 -3.60 -3.79 -0.52 1.56 -1.26 -4.98 117.12 103.21 1r5s n MET 31 Ca 0.03 2.83 -0.32 0.00 -0.27 0.00 0.00 57.70 59.97 1r5s n MET 31 Cb 0.06 -4.56 -0.10 0.00 2.15 0.00 0.00 33.22 30.77 1r5s n MET 31 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 1r5s s SER 32 N -0.85 5.25 0.16 6.12 0.01 -1.26 -4.95 113.70 118.18 1r5s s SER 32 Ca -0.16 -3.61 -0.16 0.00 1.31 0.00 0.00 55.95 53.33 1r5s s SER 32 Cb 0.01 -1.76 0.08 0.00 0.21 0.00 0.00 66.02 64.56 1r5s s SER 32 CO 0.68 -0.17 1.74 -0.65 0.41 0.00 0.00 173.24 175.25 1r5s h PRO 33 N 5.92 0.25 0.07 12.44 0.11 -1.99 -3.20 132.00 145.61 1r5s h PRO 33 Ca 0.11 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.09 1r5s h PRO 33 Cb 0.81 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.88 1r5s h PRO 33 CO 0.76 0.17 -0.47 -1.00 -0.21 0.00 0.00 178.00 177.25 1r5s h PRO 34 N 0.26 0.19 0.00 1.05 0.13 -2.01 -3.49 132.00 128.14 1r5s h PRO 34 Ca 0.17 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1r5s h PRO 34 Cb 0.17 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.41 1r5s h PRO 34 CO -0.19 1.12 0.00 0.41 -0.23 0.00 0.00 178.00 179.11 1r5s n GLY 35 N 1.54 1.18 1.47 1.56 0.00 -1.21 -4.98 105.19 104.75 1r5s n GLY 35 Ca -0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.93 1r5s n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1r5s n TYR 36 N -1.54 0.01 -2.19 1.61 4.01 -1.26 -4.84 117.16 112.95 1r5s n TYR 36 Ca 0.00 -0.51 0.04 0.00 -0.16 0.00 0.00 57.90 57.27 1r5s n TYR 36 Cb 0.00 -0.10 0.06 0.00 -0.31 0.00 0.00 39.34 38.99 1r5s n TYR 36 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1r5s n LYS 37 N 0.45 0.36 -1.95 -0.72 5.02 -1.26 -5.07 118.16 114.99 1r5s n LYS 37 Ca 0.03 -2.13 -0.41 0.00 -2.02 0.00 0.00 58.31 53.79 1r5s n LYS 37 Cb 1.11 -0.45 -0.01 0.00 -0.02 0.00 0.00 35.03 35.66 1r5s n LYS 37 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1r5s s LEU 38 N -0.75 4.37 0.00 -0.35 0.05 -1.26 -2.30 118.68 118.44 1r5s s LEU 38 Ca 0.30 2.87 0.00 0.00 0.05 0.00 0.00 54.13 57.35 1r5s s LEU 38 Cb 0.32 -3.66 0.00 0.00 -2.05 0.00 0.00 46.19 40.81 1r5s s LEU 38 CO -0.12 -0.72 0.00 0.52 -0.55 0.00 0.00 176.35 175.49 1r5s n VAL 39 N 0.72 0.00 0.00 1.48 0.31 -1.26 -4.76 118.33 114.82 1r5s n VAL 39 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1r5s n VAL 39 Cb 0.40 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 1r5s n VAL 39 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1r5s n THR 40 N -0.32 0.00 -0.21 2.52 -1.04 -0.97 -4.40 114.28 109.85 1r5s n THR 40 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1r5s n THR 40 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1r5s n THR 40 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1r5s n GLY 41 N 0.00 0.89 0.03 3.41 0.00 -1.26 -4.94 105.19 103.32 1r5s n GLY 41 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 1r5s n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r5s n ASP 42 N 0.06 3.48 -0.07 1.61 8.00 -1.26 -3.09 116.55 125.28 1r5s n ASP 42 Ca 0.00 -0.01 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 1r5s n ASP 42 Cb 0.00 0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 41.53 1r5s n ASP 42 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1r5s n ARG 43 N -2.33 0.34 0.15 -1.24 1.85 -1.26 -3.77 116.66 110.39 1r5s n ARG 43 Ca -0.11 0.10 -0.06 0.00 -1.00 0.00 0.00 57.85 56.78 1r5s n ARG 43 Cb 0.69 -1.20 -0.03 0.00 -1.05 0.00 0.00 32.46 30.87 1r5s n ARG 43 CO 0.00 0.00 0.00 -0.97 -0.01 0.00 0.00 177.63 176.65 1r5s h ASN 44 N -0.17 -0.33 0.58 2.89 -1.24 -1.88 -3.36 115.58 112.07 1r5s h ASN 44 Ca -0.33 0.01 -0.28 0.00 0.71 0.00 0.00 56.30 56.41 1r5s h ASN 44 Cb 1.43 0.09 -0.01 0.00 0.73 0.00 0.00 38.32 40.56 1r5s h ASN 44 CO -0.10 -0.16 -1.41 0.78 -1.29 0.00 0.00 177.43 175.24 1r5s h ASN 45 N -0.54 0.28 0.00 1.15 2.35 -1.84 -3.48 115.58 113.51 1r5s h ASN 45 Ca -0.04 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1r5s h ASN 45 Cb 0.30 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1r5s h ASN 45 CO 0.07 1.31 0.00 -1.20 -1.65 0.00 0.00 177.43 175.96 1r5s n SER 46 N -3.40 0.00 -3.73 5.81 7.64 -1.22 -4.56 113.62 114.16 1r5s n SER 46 Ca -0.12 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.49 1r5s n SER 46 Cb 1.02 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 64.25 1r5s n SER 46 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1r5s n SER 47 N 0.67 -3.13 -0.01 6.43 3.41 -1.18 -4.66 113.62 115.16 1r5s n SER 47 Ca 0.00 -0.95 0.06 0.00 -0.26 0.00 0.00 58.87 57.71 1r5s n SER 47 Cb 0.00 -3.56 -0.09 0.00 -0.26 0.00 0.00 64.21 60.30 1r5s n SER 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r5s n ARG 49 N -1.89 0.31 -1.31 0.00 0.00 -1.26 -4.98 116.66 107.54 1r5s n ARG 49 Ca -0.02 -0.83 -0.34 0.00 -0.00 0.00 0.00 57.85 56.66 1r5s n ARG 49 Cb 0.29 0.45 0.09 0.00 -0.00 0.00 0.00 32.46 33.29 1r5s n ARG 49 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1r5s n ASN 50 N -0.35 7.41 0.00 2.89 4.13 -1.26 -4.96 115.26 123.11 1r5s n ASN 50 Ca -0.20 -3.75 0.00 0.00 1.68 0.00 0.00 54.58 52.31 1r5s n ASN 50 Cb 0.66 -0.97 0.00 0.00 -1.54 0.00 0.00 39.78 37.93 1r5s n ASN 50 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1r5s n TYR 51 N -0.89 0.00 -3.59 3.10 4.01 -1.26 -4.45 117.16 114.08 1r5s n TYR 51 Ca 0.62 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 58.38 1r5s n TYR 51 Cb 0.73 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.70 1r5s n TYR 51 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1r5s s ASN 52 N -3.05 -0.07 -0.32 7.72 4.22 -1.26 -5.05 114.94 117.13 1r5s s ASN 52 Ca 0.00 0.11 0.07 0.00 -2.14 0.00 0.00 52.86 50.90 1r5s s ASN 52 Cb 0.00 1.04 0.46 0.00 1.28 0.00 0.00 41.25 44.03 1r5s s ASN 52 CO 0.00 -0.02 1.33 0.29 -2.04 0.00 0.00 177.10 176.66 1r5s n LYS 53 N 3.30 2.95 -0.02 3.55 5.02 -1.26 -4.78 118.16 126.92 1r5s n LYS 53 Ca -0.16 -3.80 -0.01 0.00 -2.02 0.00 0.00 58.31 52.32 1r5s n LYS 53 Cb 0.56 -2.11 -0.00 0.00 -0.02 0.00 0.00 35.03 33.45 1r5s n LYS 53 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1r5s h GLN 54 N 1.81 -0.04 -5.85 1.97 4.20 -1.97 -3.48 115.11 111.75 1r5s h GLN 54 Ca 0.32 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.64 1r5s h GLN 54 Cb 1.39 0.01 0.14 0.00 0.30 0.00 0.00 27.48 29.32 1r5s h GLN 54 CO 0.69 -0.03 -0.69 0.00 -0.67 0.00 0.00 178.83 178.13 1r5s n ALA 55 N -2.57 -1.35 -2.70 3.87 0.00 -1.26 -4.92 120.51 111.58 1r5s n ALA 55 Ca -0.01 0.38 -0.05 0.00 0.00 0.00 0.00 53.44 53.76 1r5s n ALA 55 Cb 0.02 -5.34 0.06 0.00 0.00 0.00 0.00 19.45 14.18 1r5s n ALA 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1r5s n SER 56 N -3.02 -1.92 -4.09 0.00 3.41 -1.26 -5.07 113.62 101.67 1r5s n SER 56 Ca -0.01 -2.12 -0.33 0.00 -0.26 0.00 0.00 58.87 56.16 1r5s n SER 56 Cb 0.57 1.09 -0.09 0.00 -0.26 0.00 0.00 64.21 65.52 1r5s n SER 56 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1r5s n GLU 57 N 1.86 0.86 -1.38 4.33 0.28 -1.26 -4.43 120.64 120.91 1r5s n GLU 57 Ca 0.07 -1.80 0.01 0.00 -0.16 0.00 0.00 57.16 55.27 1r5s n GLU 57 Cb 0.66 -3.30 0.10 0.00 1.43 0.00 0.00 31.44 30.33 1r5s n GLU 57 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1r5s n GLN 58 N 7.86 1.24 -0.05 3.44 1.13 -1.26 -4.78 117.38 124.96 1r5s n GLN 58 Ca 0.46 -2.94 0.09 0.00 -1.94 0.00 0.00 57.00 52.67 1r5s n GLN 58 Cb 0.44 -1.08 0.38 0.00 0.11 0.00 0.00 30.24 30.09 1r5s n GLN 58 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1r5s n ASN 59 N -0.39 0.93 0.00 1.08 3.02 -1.26 -4.07 115.26 114.57 1r5s n ASN 59 Ca 0.16 -1.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.05 1r5s n ASN 59 Cb 0.91 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 1r5s n ASN 59 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 1r5s n TRP 60 N -0.14 0.00 -1.59 3.10 4.27 -1.26 -4.92 117.44 116.91 1r5s n TRP 60 Ca 0.13 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.74 1r5s n TRP 60 Cb 0.20 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.15 1r5s n TRP 60 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1r5s n ALA 61 N -1.99 -2.22 -1.51 -1.67 0.00 -1.26 -4.13 120.51 107.73 1r5s n ALA 61 Ca 0.00 0.39 -0.19 0.00 0.00 0.00 0.00 53.44 53.64 1r5s n ALA 61 Cb 0.25 -1.28 0.13 0.00 0.00 0.00 0.00 19.45 18.56 1r5s n ALA 61 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1r5s n ASN 62 N 0.67 4.43 -0.08 0.00 0.23 -1.26 -4.00 115.26 115.25 1r5s n ASN 62 Ca 0.00 -3.76 -0.22 0.00 -0.53 0.00 0.00 54.58 50.07 1r5s n ASN 62 Cb 0.00 -0.69 -0.12 0.00 -2.08 0.00 0.00 39.78 36.88 1r5s n ASN 62 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1r5s n TYR 63 N -1.00 0.71 -1.82 -2.53 4.02 -1.26 -4.85 117.16 110.43 1r5s n TYR 63 Ca 0.47 0.21 -0.04 0.00 -0.01 0.00 0.00 57.90 58.54 1r5s n TYR 63 Cb 1.04 -1.08 -0.03 0.00 -0.02 0.00 0.00 39.34 39.24 1r5s n TYR 63 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1r5s n SER 64 N -3.85 -0.56 -2.04 7.72 2.88 -1.26 -4.98 113.62 111.54 1r5s n SER 64 Ca -0.39 -1.12 -0.11 0.00 -1.33 0.00 0.00 58.87 55.92 1r5s n SER 64 Cb 0.91 0.18 -0.02 0.00 -0.75 0.00 0.00 64.21 64.52 1r5s n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r5s n ALA 65 N -0.05 -0.57 0.28 -1.46 0.00 -1.26 -4.79 120.51 112.66 1r5s n ALA 65 Ca -0.15 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.53 1r5s n ALA 65 Cb 0.51 -1.31 0.77 0.00 0.00 0.00 0.00 19.45 19.42 1r5s n ALA 65 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1r5s h GLU 66 N 0.00 0.00 -0.15 0.00 4.11 -1.84 -2.53 114.58 114.17 1r5s h GLU 66 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1r5s h GLU 66 Cb 1.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1r5s h GLU 66 CO 0.31 0.03 0.10 1.96 0.07 0.00 0.00 179.01 181.48 1r5s h GLN 67 N 0.00 0.20 -0.94 1.06 1.08 -1.87 -1.05 115.11 113.58 1r5s h GLN 67 Ca -0.00 -0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.26 1r5s h GLN 67 Cb 0.07 -0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 27.38 1r5s h GLN 67 CO 0.00 0.13 0.59 -0.91 -0.95 0.00 0.00 178.83 177.70 1r5s h ASN 68 N 0.20 0.93 -0.60 1.46 -0.26 -1.70 0.62 115.58 116.21 1r5s h ASN 68 Ca 0.05 0.02 0.01 0.00 -0.56 0.00 0.00 56.30 55.83 1r5s h ASN 68 Cb -0.02 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.03 1r5s h ASN 68 CO -0.01 0.57 0.39 0.03 -1.06 0.00 0.00 177.43 177.35 1r5s h ARG 69 N 1.05 0.77 0.00 0.81 -0.00 -1.37 -1.62 114.38 114.02 1r5s h ARG 69 Ca 0.42 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.98 59.73 1r5s h ARG 69 Cb 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 29.97 30.02 1r5s h ARG 69 CO -0.20 0.51 -0.61 0.00 0.00 0.00 0.00 179.97 179.68 1r5s h MET 70 N 0.79 0.00 -0.33 0.04 -0.00 0.10 0.17 114.93 115.70 1r5s h MET 70 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.93 1r5s h MET 70 Cb -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.52 1r5s h MET 70 CO -0.06 0.61 0.22 0.78 -0.00 0.00 0.00 176.91 178.45 1r5s h GLY 71 N 2.52 0.47 0.18 -3.00 0.00 0.91 0.20 103.07 104.35 1r5s h GLY 71 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1r5s h GLY 71 CO 0.08 0.18 -0.09 1.46 0.00 0.00 0.00 176.54 178.17 1r5s h GLN 72 N 0.45 -0.23 -1.68 4.80 4.20 -1.29 0.35 115.11 121.71 1r5s h GLN 72 Ca 0.12 0.02 0.52 0.00 0.06 0.00 0.00 58.65 59.37 1r5s h GLN 72 Cb -0.04 0.05 -0.11 0.00 0.30 0.00 0.00 27.48 27.69 1r5s h GLN 72 CO -0.03 -0.15 1.16 0.00 -0.67 0.00 0.00 178.83 179.14 1r5s h ALA 73 N -1.48 3.37 0.00 3.87 0.00 -0.99 0.92 119.26 124.94 1r5s h ALA 73 Ca -0.02 0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1r5s h ALA 73 Cb 0.18 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1r5s h ALA 73 CO 0.04 -1.99 -1.93 0.41 0.00 0.00 0.00 179.25 175.79 1r5s n GLY 74 N -1.73 -1.01 0.28 0.00 0.00 0.70 -4.27 105.19 99.16 1r5s n GLY 74 Ca 0.42 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.20 1r5s n GLY 74 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1r5s h SER 75 N 0.00 0.96 0.00 1.61 0.87 0.30 -3.39 113.55 113.90 1r5s h SER 75 Ca -0.37 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 59.86 1r5s h SER 75 Cb 2.07 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.77 1r5s h SER 75 CO 0.06 1.06 0.00 0.41 -0.53 0.00 0.00 176.83 177.83 1r5s n THR 76 N -4.23 0.00 -0.04 2.23 -1.04 -0.04 -3.48 114.28 107.67 1r5s n THR 76 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1r5s n THR 76 Cb 0.36 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 1r5s n THR 76 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1r5s n ILE 77 N 0.00 0.00 -0.03 12.58 5.41 -1.26 -4.77 119.36 131.29 1r5s n ILE 77 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 1r5s n ILE 77 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.84 1r5s n ILE 77 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1r5s n SER 78 N 0.00 2.27 0.00 4.38 2.88 -1.26 -4.85 113.62 117.05 1r5s n SER 78 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1r5s n SER 78 Cb 0.00 1.10 0.00 0.00 -0.75 0.00 0.00 64.21 64.56 1r5s n SER 78 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1r5s n ASN 79 N -2.20 0.38 -2.53 -3.46 2.85 -1.26 -5.07 115.26 103.97 1r5s n ASN 79 Ca -0.11 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.26 1r5s n ASN 79 Cb 0.63 0.02 0.05 0.00 1.24 0.00 0.00 39.78 41.72 1r5s n ASN 79 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1r5s n SER 80 N -1.19 -2.91 0.00 1.20 3.41 -1.23 -5.05 113.62 107.85 1r5s n SER 80 Ca 0.00 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 1r5s n SER 80 Cb 0.04 -3.38 0.00 0.00 -0.26 0.00 0.00 64.21 60.61 1r5s n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r5s n HIS 81 N -2.82 0.00 -1.24 7.33 1.44 -1.26 -5.02 115.22 113.65 1r5s n HIS 81 Ca -0.14 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.57 1r5s n HIS 81 Cb 0.60 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.71 1r5s n HIS 81 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1r5s n ALA 82 N -3.00 0.00 -0.11 1.59 0.00 -1.26 -4.83 120.51 112.91 1r5s n ALA 82 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1r5s n ALA 82 Cb 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 19.45 19.07 1r5s n ALA 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1r5s n GLN 83 N -0.60 0.45 -0.18 0.00 1.13 -1.26 -4.59 117.38 112.33 1r5s n GLN 83 Ca 0.00 0.20 0.08 0.00 -1.94 0.00 0.00 57.00 55.34 1r5s n GLN 83 Cb 0.31 -1.25 0.24 0.00 0.11 0.00 0.00 30.24 29.65 1r5s n GLN 83 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1r5s n PRO 84 N -3.96 1.96 0.00 -1.09 -0.04 -1.26 -4.90 135.00 125.70 1r5s n PRO 84 Ca -0.41 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 61.57 1r5s n PRO 84 Cb 0.79 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 1r5s n PRO 84 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1r5s n PHE 85 N 0.69 0.00 -1.51 0.54 3.72 -1.26 -4.28 117.46 115.35 1r5s n PHE 85 Ca 0.15 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.38 1r5s n PHE 85 Cb 0.37 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.84 1r5s n PHE 85 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1r5s n ASP 86 N 0.25 -5.37 0.01 4.37 2.03 -1.26 -4.87 116.55 111.72 1r5s n ASP 86 Ca 0.00 0.44 -0.18 0.00 0.52 0.00 0.00 54.79 55.57 1r5s n ASP 86 Cb 0.00 -4.42 -0.12 0.00 -0.72 0.00 0.00 41.12 35.87 1r5s n ASP 86 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1r5s h PHE 87 N 0.00 0.62 -1.09 -0.67 0.04 -1.86 -3.41 116.94 110.57 1r5s h PHE 87 Ca -0.36 -0.36 -0.75 0.00 2.80 0.00 0.00 57.97 59.31 1r5s h PHE 87 Cb 1.23 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 39.31 1r5s h PHE 87 CO 0.55 1.19 1.08 -2.30 -0.60 0.00 0.00 178.31 178.22 1r5s n PRO 88 N -4.18 0.78 -2.90 1.51 -0.02 -1.26 0.18 135.00 129.11 1r5s n PRO 88 Ca -0.11 0.26 -0.16 0.00 -2.02 0.00 0.00 63.50 61.47 1r5s n PRO 88 Cb 0.71 -2.00 0.03 0.00 -0.02 0.00 0.00 33.50 32.22 1r5s n PRO 88 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1r5s n ASP 89 N 6.66 -4.84 -3.66 2.55 8.00 -1.26 -5.01 116.55 118.99 1r5s n ASP 89 Ca 0.36 -0.24 -0.13 0.00 0.71 0.00 0.00 54.79 55.49 1r5s n ASP 89 Cb 0.10 -3.64 -0.13 0.00 -0.02 0.00 0.00 41.12 37.43 1r5s n ASP 89 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1r5s s ASP 90 N -2.89 0.26 0.00 -2.24 -1.08 0.13 -4.97 116.67 105.88 1r5s s ASP 90 Ca 0.26 0.65 0.00 0.00 -0.52 0.00 0.00 52.55 52.94 1r5s s ASP 90 Cb -0.11 0.81 0.00 0.00 -1.46 0.00 0.00 42.92 42.15 1r5s s ASP 90 CO 0.32 -0.24 0.00 -0.46 0.52 0.00 0.00 175.17 175.31 1r5s n ASN 91 N 5.36 0.00 -0.29 -0.34 6.94 -1.26 -4.78 115.26 120.89 1r5s n ASN 91 Ca -0.06 0.00 0.27 0.00 -0.02 0.00 0.00 54.58 54.77 1r5s n ASN 91 Cb 0.50 0.00 0.62 0.00 -2.36 0.00 0.00 39.78 38.53 1r5s n ASN 91 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 1r5s h GLN 92 N 0.00 0.21 0.00 -3.83 3.07 -1.99 0.86 115.11 113.43 1r5s h GLN 92 Ca 0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 58.65 58.67 1r5s h GLN 92 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.51 1r5s h GLN 92 CO 0.00 0.14 -0.28 -0.91 0.09 0.00 0.00 178.83 177.87 1r5s h ASN 93 N 0.21 0.00 0.67 0.06 2.35 -1.96 -1.79 115.58 115.13 1r5s h ASN 93 Ca 0.55 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 56.03 1r5s h ASN 93 Cb 1.73 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 40.06 1r5s h ASN 93 CO -0.15 0.28 -1.45 0.00 -1.65 0.00 0.00 177.43 174.46 1r5s h ALA 94 N 1.72 0.59 0.00 -0.83 0.00 0.35 -3.34 119.26 117.75 1r5s h ALA 94 Ca -0.00 -1.25 -0.17 0.00 0.00 0.00 0.00 54.91 53.49 1r5s h ALA 94 Cb 0.65 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.71 1r5s h ALA 94 CO 0.04 1.44 -0.66 1.57 0.00 0.00 0.00 179.25 181.64 1r5s h LYS 95 N 0.00 0.44 0.00 0.00 2.10 -1.08 0.19 116.57 118.23 1r5s h LYS 95 Ca -0.19 -0.48 0.00 0.00 -2.00 0.00 0.00 60.65 57.98 1r5s h LYS 95 Cb 1.93 0.14 0.00 0.00 -0.90 0.00 0.00 32.23 33.39 1r5s h LYS 95 CO 0.10 1.13 0.00 0.36 -2.00 0.00 0.00 179.45 179.05 1r5s n LYS 96 N -4.17 0.02 -0.07 0.07 2.85 -0.69 -1.65 118.16 114.52 1r5s n LYS 96 Ca -0.11 0.42 -0.14 0.00 -1.05 0.00 0.00 58.31 57.44 1r5s n LYS 96 Cb 0.70 -1.54 -0.05 0.00 -0.65 0.00 0.00 35.03 33.49 1r5s n LYS 96 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1r5s n VAL 97 N -1.58 0.87 -0.34 0.58 0.31 -1.19 -4.64 118.33 112.35 1r5s n VAL 97 Ca 0.01 -0.14 0.10 0.00 -0.01 0.00 0.00 64.34 64.30 1r5s n VAL 97 Cb 0.07 -1.74 0.27 0.00 -0.91 0.00 0.00 33.84 31.53 1r5s n VAL 97 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r5s h ALA 98 N -0.52 1.51 -0.57 3.52 0.00 -0.54 0.91 119.26 123.58 1r5s h ALA 98 Ca -0.32 0.07 -0.73 0.00 0.00 0.00 0.00 54.91 53.94 1r5s h ALA 98 Cb 1.21 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 1r5s h ALA 98 CO -0.19 -0.01 2.52 0.00 0.00 0.00 0.00 179.25 181.57 1r5s n ALA 99 N -2.36 6.89 0.00 0.00 0.00 -0.66 -3.88 120.51 120.50 1r5s n ALA 99 Ca 0.20 -4.00 0.00 0.00 0.00 0.00 0.00 53.44 49.65 1r5s n ALA 99 Cb 0.49 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 17.12 1r5s n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r5s n GLY 100 N 1.90 0.22 0.13 0.00 0.00 -0.96 -4.94 105.19 101.53 1r5s n GLY 100 Ca 0.64 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.76 1r5s n GLY 100 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1r5s n HIS 101 N 0.00 0.66 0.36 1.61 1.44 0.31 -1.81 115.22 117.80 1r5s n HIS 101 Ca 0.00 0.30 0.14 0.00 -2.01 0.00 0.00 57.72 56.15 1r5s n HIS 101 Cb 0.00 -0.98 0.56 0.00 0.12 0.00 0.00 29.99 29.68 1r5s n HIS 101 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1r5s h GLU 102 N 0.00 0.00 0.00 -1.40 5.08 -1.80 -3.46 114.58 112.99 1r5s h GLU 102 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1r5s h GLU 102 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1r5s h GLU 102 CO 0.00 0.00 0.00 -0.11 -1.00 0.00 0.00 179.01 177.90 1r5s n LEU 103 N -2.55 0.00 -3.18 1.33 -0.00 -0.75 -4.78 117.00 107.07 1r5s n LEU 103 Ca 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.90 1r5s n LEU 103 Cb 0.26 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.70 1r5s n LEU 103 CO 0.23 0.00 -0.38 0.00 -0.00 0.00 0.00 177.39 177.24 1r5s n GLN 104 N 0.00 -1.44 -1.98 1.96 10.64 -1.26 -4.74 117.38 120.56 1r5s n GLN 104 Ca 0.00 1.40 -0.37 0.00 -1.83 0.00 0.00 57.00 56.19 1r5s n GLN 104 Cb 0.00 -2.39 -0.04 0.00 -0.86 0.00 0.00 30.24 26.95 1r5s n GLN 104 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1r5s n PRO 105 N 0.62 2.17 -1.90 2.61 -0.04 -1.26 -4.01 135.00 133.18 1r5s n PRO 105 Ca -0.01 -2.58 -0.19 0.00 -0.04 0.00 0.00 63.50 60.67 1r5s n PRO 105 Cb 0.48 -3.45 -0.05 0.00 -0.04 0.00 0.00 33.50 30.44 1r5s n PRO 105 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1r5s n LEU 106 N 10.31 -1.61 0.05 1.53 4.77 -1.26 -4.87 117.00 125.92 1r5s n LEU 106 Ca 0.48 0.27 -0.22 0.00 -0.03 0.00 0.00 56.01 56.50 1r5s n LEU 106 Cb 0.44 -2.73 -0.15 0.00 -2.33 0.00 0.00 43.42 38.66 1r5s n LEU 106 CO 0.81 -0.67 -0.61 0.00 -1.33 0.00 0.00 177.39 175.58 1r5s h ALA 107 N 0.39 0.24 0.00 -1.18 0.00 -1.95 -3.41 119.26 113.35 1r5s h ALA 107 Ca -0.42 -1.21 -0.08 0.00 0.00 0.00 0.00 54.91 53.19 1r5s h ALA 107 Cb 1.30 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 1r5s h ALA 107 CO 0.57 1.09 -1.57 -0.89 0.00 0.00 0.00 179.25 178.45 1r5s n ILE 108 N -3.60 0.31 -1.51 0.00 5.41 -1.26 -4.65 119.36 114.06 1r5s n ILE 108 Ca -0.27 -0.32 -0.28 0.00 1.00 0.00 0.00 62.75 62.88 1r5s n ILE 108 Cb 1.05 -0.21 -0.06 0.00 -0.71 0.00 0.00 39.64 39.71 1r5s n ILE 108 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 1r5s n VAL 109 N -2.10 3.57 -1.42 1.39 3.14 -1.26 -4.74 118.33 116.91 1r5s n VAL 109 Ca -0.08 -3.04 -0.29 0.00 -2.96 0.00 0.00 64.34 57.96 1r5s n VAL 109 Cb 0.53 -1.70 -0.07 0.00 -1.06 0.00 0.00 33.84 31.53 1r5s n VAL 109 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1r5s n ASP 110 N 1.16 7.16 -3.19 6.55 5.75 -1.26 -4.63 116.55 128.08 1r5s n ASP 110 Ca 0.51 -2.82 -0.09 0.00 -0.01 0.00 0.00 54.79 52.38 1r5s n ASP 110 Cb 0.54 -1.41 0.04 0.00 -1.03 0.00 0.00 41.12 39.26 1r5s n ASP 110 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r5s n GLN 111 N 2.27 -1.80 -0.34 0.11 6.02 -1.26 -4.81 117.38 117.57 1r5s n GLN 111 Ca 0.59 1.12 0.06 0.00 -0.01 0.00 0.00 57.00 58.76 1r5s n GLN 111 Cb 0.49 -5.69 0.14 0.00 1.02 0.00 0.00 30.24 26.20 1r5s n GLN 111 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1r5s n ARG 112 N -2.63 -0.08 -0.29 -1.09 3.00 -1.26 -0.33 116.66 113.98 1r5s n ARG 112 Ca -0.04 1.47 -0.06 0.00 -0.01 0.00 0.00 57.85 59.20 1r5s n ARG 112 Cb 0.57 -2.20 -0.02 0.00 0.00 0.00 0.00 32.46 30.81 1r5s n ARG 112 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1r5s h PRO 113 N 0.00 -0.12 0.00 5.56 0.11 -1.89 -3.45 132.00 132.21 1r5s h PRO 113 Ca 0.46 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1r5s h PRO 113 Cb 0.72 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1r5s h PRO 113 CO -0.97 -0.08 0.00 0.45 -0.21 0.00 0.00 178.00 177.19 1r5s n SER 114 N -5.41 0.00 -0.42 -2.05 2.88 0.55 -4.64 113.62 104.54 1r5s n SER 114 Ca 0.04 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.64 1r5s n SER 114 Cb 0.35 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.91 1r5s n SER 114 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1r5s n SER 115 N 0.00 1.43 0.00 -3.46 3.41 -1.26 -5.07 113.62 108.67 1r5s n SER 115 Ca 0.00 -2.80 0.00 0.00 -0.26 0.00 0.00 58.87 55.81 1r5s n SER 115 Cb 0.00 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1r5s n SER 115 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1r5s n ARG 116 N -0.78 0.00 -0.37 4.33 3.00 -1.26 -4.78 116.66 116.80 1r5s n ARG 116 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1r5s n ARG 116 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.18 1r5s n ARG 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1r5s n ALA 117 N 8.46 0.00 -1.69 5.13 0.00 -1.26 -4.77 120.51 126.38 1r5s n ALA 117 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1r5s n ALA 117 Cb 0.00 -0.44 0.08 0.00 0.00 0.00 0.00 19.45 19.09 1r5s n ALA 117 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1r5s n SER 118 N 0.00 5.14 0.00 0.00 3.41 -1.26 -4.66 113.62 116.25 1r5s n SER 118 Ca 0.00 -3.77 0.08 0.00 -0.26 0.00 0.00 58.87 54.92 1r5s n SER 118 Cb 0.00 -0.59 0.39 0.00 -0.26 0.00 0.00 64.21 63.75 1r5s n SER 118 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1r5s n SER 119 N -0.87 0.00 -0.29 4.04 2.88 -1.26 -3.16 113.62 114.96 1r5s n SER 119 Ca 0.47 0.18 -0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1r5s n SER 119 Cb 0.90 -0.35 0.12 0.00 -0.75 0.00 0.00 64.21 64.14 1r5s n SER 119 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1r5s h ARG 120 N 0.00 0.90 -5.53 -1.46 3.08 -2.00 -3.48 114.38 105.89 1r5s h ARG 120 Ca 0.00 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1r5s h ARG 120 Cb 0.19 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1r5s h ARG 120 CO 0.00 0.59 -0.21 0.00 -1.07 0.00 0.00 179.97 179.29 1r5s n ALA 121 N -2.35 -2.60 -1.92 0.04 0.00 -1.19 -2.33 120.51 110.17 1r5s n ALA 121 Ca 0.11 0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.49 1r5s n ALA 121 Cb 0.15 -1.73 -0.05 0.00 0.00 0.00 0.00 19.45 17.82 1r5s n ALA 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1r5s n SER 122 N -1.64 -5.49 -3.53 0.00 2.88 -1.26 -2.51 113.62 102.07 1r5s n SER 122 Ca -0.02 0.27 -0.19 0.00 -1.33 0.00 0.00 58.87 57.60 1r5s n SER 122 Cb 0.52 -4.64 0.06 0.00 -0.75 0.00 0.00 64.21 59.40 1r5s n SER 122 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1r5s n SER 123 N -1.43 -2.25 -2.66 -3.46 2.88 -1.12 -4.18 113.62 101.41 1r5s n SER 123 Ca -0.21 -0.72 -0.02 0.00 -1.33 0.00 0.00 58.87 56.59 1r5s n SER 123 Cb 0.66 -4.66 -0.02 0.00 -0.75 0.00 0.00 64.21 59.45 1r5s n SER 123 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1r5s n ARG 124 N -4.10 -3.84 0.32 -1.46 1.74 -0.98 -4.96 116.66 103.37 1r5s n ARG 124 Ca -0.27 3.00 -0.16 0.00 -0.77 0.00 0.00 57.85 59.66 1r5s n ARG 124 Cb 0.67 -5.24 -0.08 0.00 -1.02 0.00 0.00 32.46 26.78 1r5s n ARG 124 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1r5s h PRO 125 N 3.36 -0.79 0.00 5.56 0.13 -1.73 -3.48 132.00 135.05 1r5s h PRO 125 Ca -0.19 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1r5s h PRO 125 Cb 0.43 0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1r5s h PRO 125 CO 0.07 -0.47 0.00 -2.13 -0.23 0.00 0.00 178.00 175.24 1r5s n ARG 126 N -5.37 0.00 -2.61 0.86 0.63 -1.26 -5.02 116.66 103.89 1r5s n ARG 126 Ca -0.12 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.39 1r5s n ARG 126 Cb 0.35 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.27 1r5s n ARG 126 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1r5s n PRO 127 N -2.25 4.57 0.00 -0.14 -0.05 -1.26 -4.83 135.00 131.05 1r5s n PRO 127 Ca 0.00 -4.20 0.00 0.00 -0.05 0.00 0.00 63.50 59.25 1r5s n PRO 127 Cb 0.00 -2.61 0.00 0.00 -0.05 0.00 0.00 33.50 30.84 1r5s n PRO 127 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1r5s n ASP 128 N 1.56 0.00 0.00 3.54 -0.08 -1.26 -2.17 116.55 118.14 1r5s n ASP 128 Ca 0.40 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 1r5s n ASP 128 Cb 0.31 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.77 1r5s n ASP 128 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1r5s n ASP 129 N 2.42 0.00 0.00 1.67 5.75 -1.26 -4.53 116.55 120.60 1r5s n ASP 129 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1r5s n ASP 129 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1r5s n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1r5s n LEU 130 N 0.00 0.49 -1.09 -2.12 4.77 -0.92 -4.85 117.00 113.28 1r5s n LEU 130 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1r5s n LEU 130 Cb 0.00 -1.28 0.21 0.00 -2.33 0.00 0.00 43.42 40.02 1r5s n LEU 130 CO 0.00 -0.43 0.61 -1.84 -1.33 0.00 0.00 177.39 174.41 1r5s n GLU 131 N -1.29 2.73 -0.65 3.23 0.28 -1.24 -5.09 120.64 118.61 1r5s n GLU 131 Ca 0.00 -1.63 0.00 0.00 -0.16 0.00 0.00 57.16 55.37 1r5s n GLU 131 Cb 0.18 -1.72 0.00 0.00 1.43 0.00 0.00 31.44 31.33 1r5s n GLU 131 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08