#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr5 h SER 2 N 0.00 -0.47 -0.09 1.61 0.02 -2.03 -3.34 113.55 109.25 2cr5 h SER 2 Ca 0.00 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 2cr5 h SER 2 Cb 0.00 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 2cr5 h SER 2 CO 0.00 -0.05 -0.04 -1.28 -1.14 0.00 0.00 176.83 174.32 2cr5 h SER 3 N -1.02 0.19 0.00 3.07 0.87 -1.99 -3.49 113.55 111.17 2cr5 h SER 3 Ca -0.06 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2cr5 h SER 3 Cb 0.54 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2cr5 h SER 3 CO 0.09 0.56 0.00 0.61 -0.53 0.00 0.00 176.83 177.56 2cr5 n GLY 4 N 0.02 1.26 0.11 5.77 0.00 -1.25 -4.96 105.19 106.13 2cr5 n GLY 4 Ca -0.07 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 2cr5 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2cr5 h SER 5 N 0.00 0.21 -0.33 1.61 0.02 -1.89 -3.38 113.55 109.79 2cr5 h SER 5 Ca 0.00 -0.76 0.06 0.00 -0.84 0.00 0.00 61.79 60.24 2cr5 h SER 5 Cb 0.00 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 2cr5 h SER 5 CO 0.00 1.53 0.01 0.77 -1.14 0.00 0.00 176.83 178.00 2cr5 h SER 6 N -0.58 -0.12 0.00 3.07 4.64 -1.96 -3.48 113.55 115.13 2cr5 h SER 6 Ca -0.30 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2cr5 h SER 6 Cb 1.55 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.77 2cr5 h SER 6 CO -0.04 -0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.51 2cr5 n GLY 7 N -1.24 2.48 2.68 -0.77 0.00 -1.26 -4.85 105.19 102.23 2cr5 n GLY 7 Ca 0.01 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 45.07 2cr5 n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2cr5 n GLU 8 N 0.02 -2.38 -3.95 1.61 0.28 -1.26 -4.85 120.64 110.10 2cr5 n GLU 8 Ca 0.00 0.02 -0.17 0.00 -0.16 0.00 0.00 57.16 56.86 2cr5 n GLU 8 Cb 0.00 -4.07 -0.16 0.00 1.43 0.00 0.00 31.44 28.64 2cr5 n GLU 8 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2cr5 s VAL 9 N -2.03 0.19 0.73 3.84 1.01 -1.26 -5.10 120.40 117.78 2cr5 s VAL 9 Ca 0.15 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 2cr5 s VAL 9 Cb -0.09 -0.27 0.18 0.00 0.00 0.00 0.00 36.38 36.21 2cr5 s VAL 9 CO 0.18 0.13 0.65 -0.81 0.00 0.00 0.00 175.10 175.26 2cr5 n PRO 10 N 3.99 -2.30 -4.40 2.72 -0.04 -1.26 -4.70 135.00 129.01 2cr5 n PRO 10 Ca -0.25 -1.04 -0.22 0.00 -0.04 0.00 0.00 63.50 61.95 2cr5 n PRO 10 Cb 0.51 -0.98 -0.10 0.00 -0.04 0.00 0.00 33.50 32.89 2cr5 n PRO 10 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2cr5 s ASP 11 N -3.26 3.04 0.31 3.54 -4.77 -1.26 -5.02 116.67 109.24 2cr5 s ASP 11 Ca 0.42 -1.00 -0.10 0.00 -3.30 0.00 0.00 52.55 48.58 2cr5 s ASP 11 Cb -0.04 -0.21 -0.07 0.00 -1.09 0.00 0.00 42.92 41.51 2cr5 s ASP 11 CO 0.32 -0.05 0.65 -0.76 0.70 0.00 0.00 175.17 176.03 2cr5 s LEU 12 N -3.27 4.04 0.64 2.11 1.43 -1.26 -5.07 118.68 117.30 2cr5 s LEU 12 Ca 0.24 1.02 -0.15 0.00 -1.03 0.00 0.00 54.13 54.21 2cr5 s LEU 12 Cb -0.03 -3.83 -0.01 0.00 0.03 0.00 0.00 46.19 42.35 2cr5 s LEU 12 CO 0.10 -0.21 1.11 -2.16 0.23 0.00 0.00 176.35 175.43 2cr5 s PRO 13 N -3.25 2.87 0.04 1.29 0.04 -1.26 -4.90 135.00 129.83 2cr5 s PRO 13 Ca 0.49 1.42 -0.36 0.00 0.04 0.00 0.00 61.00 62.58 2cr5 s PRO 13 Cb -0.11 -1.96 -0.19 0.00 0.04 0.00 0.00 34.50 32.29 2cr5 s PRO 13 CO 0.24 -1.20 0.93 0.39 0.04 0.00 0.00 177.00 177.40 2cr5 n GLU 14 N -2.28 0.00 -2.99 4.56 -0.58 -1.26 -4.87 120.64 113.22 2cr5 n GLU 14 Ca 0.10 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.44 2cr5 n GLU 14 Cb 0.52 -1.35 -0.05 0.00 -0.57 0.00 0.00 31.44 29.98 2cr5 n GLU 14 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2cr5 s GLU 15 N -0.20 4.25 0.43 3.49 -6.30 -1.26 -5.04 118.70 114.06 2cr5 s GLU 15 Ca 0.83 0.83 -0.24 0.00 -2.50 0.00 0.00 54.97 53.89 2cr5 s GLU 15 Cb -1.16 -3.58 -0.08 0.00 0.00 0.00 0.00 34.13 29.30 2cr5 s GLU 15 CO 0.55 -0.31 1.18 -1.25 0.02 0.00 0.00 175.26 175.45 2cr5 s PRO 16 N 2.12 3.91 0.51 4.30 0.04 -1.26 -5.02 135.00 139.60 2cr5 s PRO 16 Ca 0.34 1.83 -0.16 0.00 0.04 0.00 0.00 61.00 63.04 2cr5 s PRO 16 Cb -0.16 -2.56 -0.08 0.00 0.04 0.00 0.00 34.50 31.74 2cr5 s PRO 16 CO 0.11 -0.44 0.98 0.45 0.04 0.00 0.00 177.00 178.14 2cr5 s SER 17 N -1.21 6.62 0.50 6.66 0.15 -1.26 -4.54 113.70 120.62 2cr5 s SER 17 Ca 0.60 1.57 0.28 0.00 0.70 0.00 0.00 55.95 59.10 2cr5 s SER 17 Cb -0.30 -2.51 1.37 0.00 -1.71 0.00 0.00 66.02 62.87 2cr5 s SER 17 CO 0.37 -0.59 1.86 1.05 1.20 0.00 0.00 173.24 177.13 2cr5 h GLU 18 N 0.91 0.12 -0.01 5.44 4.11 -1.98 0.50 114.58 123.67 2cr5 h GLU 18 Ca -0.47 -0.01 -0.15 0.00 0.07 0.00 0.00 59.36 58.80 2cr5 h GLU 18 Cb 1.18 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 2cr5 h GLU 18 CO 0.61 0.08 -0.70 1.79 0.07 0.00 0.00 179.01 180.87 2cr5 h THR 19 N 0.12 1.48 -1.42 -1.06 1.35 -1.98 -3.45 112.91 107.95 2cr5 h THR 19 Ca 0.48 -2.33 -0.75 0.00 -0.55 0.00 0.00 66.41 63.26 2cr5 h THR 19 Cb 1.67 2.25 0.03 0.00 -1.73 0.00 0.00 68.15 70.37 2cr5 h THR 19 CO -0.07 0.67 0.64 0.00 -0.25 0.00 0.00 175.52 176.50 2cr5 n ALA 20 N -2.43 -1.04 -1.47 6.62 0.00 0.18 -4.90 120.51 117.48 2cr5 n ALA 20 Ca -0.01 0.47 -0.33 0.00 0.00 0.00 0.00 53.44 53.57 2cr5 n ALA 20 Cb 0.68 -2.07 0.05 0.00 0.00 0.00 0.00 19.45 18.11 2cr5 n ALA 20 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2cr5 s GLU 21 N 2.16 2.71 -1.54 0.00 -1.05 -1.26 -3.41 118.70 116.30 2cr5 s GLU 21 Ca 0.95 1.32 -0.05 0.00 -0.15 0.00 0.00 54.97 57.04 2cr5 s GLU 21 Cb -1.14 -1.94 0.01 0.00 -0.44 0.00 0.00 34.13 30.62 2cr5 s GLU 21 CO 0.62 -1.31 0.53 0.39 0.95 0.00 0.00 175.26 176.45 2cr5 n GLU 22 N -2.65 -4.43 -4.73 -4.83 1.02 -1.26 -4.91 120.64 98.84 2cr5 n GLU 22 Ca 0.10 0.87 -0.24 0.00 -0.02 0.00 0.00 57.16 57.87 2cr5 n GLU 22 Cb 0.52 -5.70 -0.15 0.00 -0.02 0.00 0.00 31.44 26.10 2cr5 n GLU 22 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2cr5 s VAL 23 N -3.13 1.33 0.35 2.62 1.01 -1.22 -0.13 120.40 121.23 2cr5 s VAL 23 Ca 0.28 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.55 2cr5 s VAL 23 Cb -0.13 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 2cr5 s VAL 23 CO 0.35 0.32 0.04 0.68 0.00 0.00 0.00 175.10 176.49 2cr5 s VAL 24 N -0.48 2.57 -0.44 2.92 -7.23 -0.61 -4.92 120.40 112.22 2cr5 s VAL 24 Ca 0.06 -1.92 -0.09 0.00 -1.81 0.00 0.00 61.98 58.23 2cr5 s VAL 24 Cb -0.07 -2.85 0.10 0.00 0.56 0.00 0.00 36.38 34.12 2cr5 s VAL 24 CO -0.00 -0.16 0.29 -0.89 -0.31 0.00 0.00 175.10 174.02 2cr5 s THR 25 N -2.53 4.15 -0.31 5.32 2.01 -1.26 -1.62 115.64 121.40 2cr5 s THR 25 Ca 0.36 -1.59 -0.16 0.00 0.31 0.00 0.00 61.69 60.61 2cr5 s THR 25 Cb 0.01 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 2cr5 s THR 25 CO 0.20 -0.61 0.41 -0.69 -0.69 0.00 0.00 174.62 173.23 2cr5 s VAL 26 N 1.38 5.13 -0.37 3.82 1.01 0.17 -3.47 120.40 128.07 2cr5 s VAL 26 Ca 0.04 0.40 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 2cr5 s VAL 26 Cb -0.24 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.38 2cr5 s VAL 26 CO 0.01 0.01 0.19 0.00 0.00 0.00 0.00 175.10 175.31 2cr5 s ALA 27 N 2.14 3.23 -0.38 5.51 0.00 -1.18 -0.76 121.76 130.32 2cr5 s ALA 27 Ca 0.15 -1.80 -0.25 0.00 0.00 0.00 0.00 51.96 50.07 2cr5 s ALA 27 Cb -0.16 -2.54 0.01 0.00 0.00 0.00 0.00 23.12 20.44 2cr5 s ALA 27 CO 0.11 -1.43 0.87 -0.51 0.00 0.00 0.00 175.76 174.80 2cr5 s LEU 28 N 1.50 4.05 -0.07 0.00 1.43 0.23 -0.72 118.68 125.09 2cr5 s LEU 28 Ca 0.01 0.44 -0.25 0.00 -1.03 0.00 0.00 54.13 53.30 2cr5 s LEU 28 Cb -0.20 -3.16 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 2cr5 s LEU 28 CO 0.05 -0.83 0.80 -0.13 0.23 0.00 0.00 176.35 176.48 2cr5 s ARG 29 N 3.35 4.43 0.19 1.70 1.81 0.46 -0.25 118.95 130.64 2cr5 s ARG 29 Ca 0.35 1.05 0.00 0.00 -1.72 0.00 0.00 55.73 55.41 2cr5 s ARG 29 Cb -0.12 -3.48 -0.04 0.00 -0.45 0.00 0.00 34.95 30.86 2cr5 s ARG 29 CO 0.19 -0.06 0.37 0.00 -0.68 0.00 0.00 175.30 175.11 2cr5 n PRO 31 N -0.69 0.06 0.17 0.00 -0.04 -1.26 -2.34 135.00 130.90 2cr5 n PRO 31 Ca -0.05 0.23 0.06 0.00 -0.04 0.00 0.00 63.50 63.69 2cr5 n PRO 31 Cb 0.54 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.64 2cr5 n PRO 31 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2cr5 h ASN 32 N 0.00 0.00 0.00 3.54 4.21 -1.98 -3.47 115.58 117.88 2cr5 h ASN 32 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2cr5 h ASN 32 Cb 0.21 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.41 2cr5 h ASN 32 CO 0.00 0.34 0.00 0.61 -1.29 0.00 0.00 177.43 177.09 2cr5 n GLY 33 N 1.00 1.92 3.92 2.83 0.00 -0.99 -5.11 105.19 108.75 2cr5 n GLY 33 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 2cr5 n GLY 33 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cr5 s ARG 34 N 0.00 3.38 0.06 1.61 1.70 -1.26 -4.91 118.95 119.53 2cr5 s ARG 34 Ca 0.00 -0.55 0.09 0.00 -0.47 0.00 0.00 55.73 54.80 2cr5 s ARG 34 Cb 0.00 -2.97 -0.03 0.00 -0.57 0.00 0.00 34.95 31.38 2cr5 s ARG 34 CO 0.00 0.56 -0.25 0.54 -1.08 0.00 0.00 175.30 175.07 2cr5 s VAL 35 N -1.63 2.03 -0.18 4.99 0.11 -1.26 -1.10 120.40 123.36 2cr5 s VAL 35 Ca 0.34 -1.39 -0.04 0.00 -2.93 0.00 0.00 61.98 57.96 2cr5 s VAL 35 Cb -0.12 -1.75 -0.02 0.00 -1.53 0.00 0.00 36.38 32.96 2cr5 s VAL 35 CO 0.28 0.29 -0.03 -0.76 -3.33 0.00 0.00 175.10 171.54 2cr5 s LEU 36 N -1.34 3.15 -0.11 2.54 1.43 0.65 -4.93 118.68 120.08 2cr5 s LEU 36 Ca 0.11 -0.22 -0.09 0.00 -1.03 0.00 0.00 54.13 52.89 2cr5 s LEU 36 Cb -0.10 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 2cr5 s LEU 36 CO 0.02 0.09 0.19 -0.13 0.23 0.00 0.00 176.35 176.76 2cr5 s ARG 37 N 0.84 3.67 0.10 1.70 0.52 -1.26 0.74 118.95 125.26 2cr5 s ARG 37 Ca -0.00 -0.03 -0.13 0.00 -0.52 0.00 0.00 55.73 55.04 2cr5 s ARG 37 Cb -0.14 -3.24 0.02 0.00 0.52 0.00 0.00 34.95 32.10 2cr5 s ARG 37 CO 0.02 0.66 0.31 0.50 0.02 0.00 0.00 175.30 176.81 2cr5 s ARG 38 N -0.75 0.94 0.05 3.54 3.52 0.06 -4.98 118.95 121.33 2cr5 s ARG 38 Ca 0.16 -0.76 0.02 0.00 -0.13 0.00 0.00 55.73 55.01 2cr5 s ARG 38 Cb -0.13 0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 33.63 2cr5 s ARG 38 CO 0.05 -0.33 0.06 1.03 -0.81 0.00 0.00 175.30 175.30 2cr5 s ARG 39 N -3.60 2.89 -0.24 5.12 1.81 -1.26 0.42 118.95 124.09 2cr5 s ARG 39 Ca 0.02 -0.64 -0.11 0.00 -1.72 0.00 0.00 55.73 53.28 2cr5 s ARG 39 Cb 0.03 -2.74 0.09 0.00 -0.45 0.00 0.00 34.95 31.88 2cr5 s ARG 39 CO -0.10 0.59 0.55 -0.06 -0.68 0.00 0.00 175.30 175.60 2cr5 s PHE 40 N -1.30 -0.95 1.09 -0.53 0.08 -0.64 -4.40 117.98 111.33 2cr5 s PHE 40 Ca 0.26 1.84 -0.18 0.00 0.12 0.00 0.00 56.93 58.96 2cr5 s PHE 40 Cb -0.12 0.51 0.07 0.00 -0.57 0.00 0.00 43.02 42.91 2cr5 s PHE 40 CO 0.18 -0.50 -0.04 1.19 -0.10 0.00 0.00 175.22 175.95 2cr5 n PHE 41 N 4.74 -1.48 1.21 0.36 3.72 -1.26 -1.57 117.46 123.18 2cr5 n PHE 41 Ca -0.17 0.18 0.13 0.00 -0.05 0.00 0.00 57.45 57.54 2cr5 n PHE 41 Cb 0.54 -1.58 0.27 0.00 -0.94 0.00 0.00 39.48 37.77 2cr5 n PHE 41 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2cr5 n LYS 42 N -1.67 1.40 -0.03 -1.08 5.02 0.81 -4.02 118.16 118.60 2cr5 n LYS 42 Ca 0.01 -0.99 -0.08 0.00 -2.02 0.00 0.00 58.31 55.24 2cr5 n LYS 42 Cb 0.62 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 34.01 2cr5 n LYS 42 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2cr5 n SER 43 N 0.06 0.71 -4.67 4.39 3.41 -1.26 -3.40 113.62 112.86 2cr5 n SER 43 Ca 0.13 0.34 -0.33 0.00 -0.26 0.00 0.00 58.87 58.75 2cr5 n SER 43 Cb 0.42 0.16 0.14 0.00 -0.26 0.00 0.00 64.21 64.67 2cr5 n SER 43 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2cr5 n TRP 44 N -2.97 0.98 -3.82 7.33 8.01 -1.26 -4.63 117.44 121.09 2cr5 n TRP 44 Ca -0.19 0.40 -0.36 0.00 -1.31 0.00 0.00 57.50 56.04 2cr5 n TRP 44 Cb 1.05 -2.06 -0.07 0.00 -2.01 0.00 0.00 31.31 28.22 2cr5 n TRP 44 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 2cr5 s ASN 45 N -2.25 6.27 0.33 -0.99 3.84 -1.26 -0.87 114.94 120.01 2cr5 s ASN 45 Ca 0.71 0.34 0.26 0.00 0.21 0.00 0.00 52.86 54.38 2cr5 s ASN 45 Cb -0.27 -2.07 1.12 0.00 -0.55 0.00 0.00 41.25 39.48 2cr5 s ASN 45 CO 0.54 0.30 1.14 -1.54 -2.79 0.00 0.00 177.10 174.75 2cr5 n SER 46 N 2.74 0.13 -0.33 -4.21 3.41 -1.26 0.38 113.62 114.49 2cr5 n SER 46 Ca -0.18 0.98 0.05 0.00 -0.26 0.00 0.00 58.87 59.46 2cr5 n SER 46 Cb 0.54 -0.48 0.13 0.00 -0.26 0.00 0.00 64.21 64.13 2cr5 n SER 46 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2cr5 h GLN 47 N 0.00 0.00 -1.09 4.33 5.75 -1.90 0.89 115.11 123.09 2cr5 h GLN 47 Ca 0.65 -0.00 0.31 0.00 -0.15 0.00 0.00 58.65 59.46 2cr5 h GLN 47 Cb 2.18 -0.00 -0.12 0.00 1.07 0.00 0.00 27.48 30.61 2cr5 h GLN 47 CO -0.30 0.00 0.68 -0.24 -2.65 0.00 0.00 178.83 176.32 2cr5 h VAL 48 N 0.00 0.39 0.13 2.39 3.04 -0.47 -0.51 116.25 121.22 2cr5 h VAL 48 Ca 0.45 -0.12 0.02 0.00 -1.01 0.00 0.00 66.70 66.04 2cr5 h VAL 48 Cb 0.68 0.03 -0.04 0.00 -2.01 0.00 0.00 31.29 29.95 2cr5 h VAL 48 CO -0.96 0.06 -0.37 -0.07 -1.01 0.00 0.00 177.57 175.22 2cr5 h LEU 49 N 0.34 -1.07 -0.89 3.16 3.38 0.67 -2.33 115.31 118.56 2cr5 h LEU 49 Ca 0.68 0.12 0.17 0.00 0.09 0.00 0.00 57.88 58.94 2cr5 h LEU 49 Cb 1.74 0.40 -0.16 0.00 0.09 0.00 0.00 40.66 42.73 2cr5 h LEU 49 CO -0.41 -0.45 -0.25 0.18 0.09 0.00 0.00 178.44 177.60 2cr5 n LEU 50 N -5.44 -0.39 -0.27 1.67 4.77 -0.20 0.16 117.00 117.30 2cr5 n LEU 50 Ca -0.07 1.53 -0.01 0.00 -0.03 0.00 0.00 56.01 57.43 2cr5 n LEU 50 Cb 0.36 -0.43 0.11 0.00 -2.33 0.00 0.00 43.42 41.12 2cr5 n LEU 50 CO 0.21 -1.44 1.15 -0.78 -1.33 0.00 0.00 177.39 175.20 2cr5 h ASP 51 N 0.00 0.72 -0.99 -1.43 1.82 -1.48 -1.87 116.42 113.19 2cr5 h ASP 51 Ca 0.40 0.01 0.01 0.00 -0.39 0.00 0.00 57.03 57.06 2cr5 h ASP 51 Cb 0.62 -0.14 -0.05 0.00 0.68 0.00 0.00 39.33 40.44 2cr5 h ASP 51 CO -0.90 0.47 0.65 -0.25 -1.61 0.00 0.00 179.24 177.60 2cr5 h TRP 52 N 0.85 1.24 -0.81 0.28 7.01 0.18 -2.28 115.95 122.42 2cr5 h TRP 52 Ca 0.32 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.37 2cr5 h TRP 52 Cb 0.12 -0.42 -0.04 0.00 -2.10 0.00 0.00 29.16 26.72 2cr5 h TRP 52 CO -0.05 0.77 0.53 1.98 -2.79 0.00 0.00 178.44 178.88 2cr5 h MET 53 N 1.33 1.04 0.00 2.65 4.05 -0.36 -0.59 114.93 123.04 2cr5 h MET 53 Ca 0.37 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.72 2cr5 h MET 53 Cb -0.13 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 30.43 2cr5 h MET 53 CO -0.09 0.69 0.00 0.52 0.23 0.00 0.00 176.91 178.26 2cr5 h MET 54 N 1.07 0.00 0.02 0.39 2.86 -0.87 -2.11 114.93 116.29 2cr5 h MET 54 Ca 0.31 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.92 2cr5 h MET 54 Cb -0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.58 2cr5 h MET 54 CO -0.08 0.00 -0.10 -0.22 1.06 0.00 0.00 176.91 177.57 2cr5 h LYS 55 N 0.00 0.04 -0.03 1.72 1.63 -0.92 -3.30 116.57 115.71 2cr5 h LYS 55 Ca 0.00 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2cr5 h LYS 55 Cb 0.19 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2cr5 h LYS 55 CO 0.00 1.00 0.02 -0.39 -3.45 0.00 0.00 179.45 176.63 2cr5 h VAL 56 N -0.88 0.96 0.00 2.00 -1.51 -1.18 -3.45 116.25 112.20 2cr5 h VAL 56 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 2cr5 h VAL 56 Cb 1.04 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 2cr5 h VAL 56 CO 0.02 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.97 2cr5 n GLY 57 N -1.54 0.95 3.58 5.19 0.00 -1.01 -5.14 105.19 107.22 2cr5 n GLY 57 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2cr5 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cr5 s TYR 58 N -0.04 -0.75 -0.02 1.61 2.02 -0.82 -5.02 117.35 114.33 2cr5 s TYR 58 Ca 0.00 1.81 -0.11 0.00 -0.37 0.00 0.00 57.07 58.40 2cr5 s TYR 58 Cb 0.00 0.27 -0.05 0.00 -0.40 0.00 0.00 41.96 41.78 2cr5 s TYR 58 CO 0.00 -0.36 0.33 -1.58 -1.57 0.00 0.00 175.55 172.37 2cr5 s HIS 59 N 0.44 3.67 0.15 2.71 2.46 -1.26 -2.13 115.29 121.32 2cr5 s HIS 59 Ca -0.01 0.82 -0.16 0.00 0.47 0.00 0.00 55.06 56.18 2cr5 s HIS 59 Cb -0.05 -2.16 0.01 0.00 -0.13 0.00 0.00 32.58 30.25 2cr5 s HIS 59 CO -0.00 0.65 1.80 1.57 -2.47 0.00 0.00 174.74 176.28 2cr5 h LYS 60 N 4.57 0.54 0.00 2.88 2.10 -1.87 0.43 116.57 125.23 2cr5 h LYS 60 Ca -0.52 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.09 2cr5 h LYS 60 Cb 1.22 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 2cr5 h LYS 60 CO 0.62 0.38 0.00 0.45 -2.00 0.00 0.00 179.45 178.90 2cr5 n SER 61 N -4.78 0.00 -0.01 7.07 2.88 -1.26 -1.59 113.62 115.93 2cr5 n SER 61 Ca 0.01 0.06 0.01 0.00 -1.33 0.00 0.00 58.87 57.62 2cr5 n SER 61 Cb 0.04 -0.25 -0.00 0.00 -0.75 0.00 0.00 64.21 63.24 2cr5 n SER 61 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2cr5 n LEU 62 N -1.25 0.26 -3.72 2.46 4.77 -0.28 -4.94 117.00 114.29 2cr5 n LEU 62 Ca 0.06 -0.59 -0.13 0.00 -0.03 0.00 0.00 56.01 55.31 2cr5 n LEU 62 Cb 0.08 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.08 2cr5 n LEU 62 CO 0.08 0.06 0.12 -0.31 -1.33 0.00 0.00 177.39 176.02 2cr5 s TYR 63 N -0.94 -0.49 0.53 -1.77 1.51 0.14 -3.56 117.35 112.77 2cr5 s TYR 63 Ca 0.01 1.19 0.04 0.00 -1.01 0.00 0.00 57.07 57.30 2cr5 s TYR 63 Cb 0.01 0.17 0.04 0.00 -0.11 0.00 0.00 41.96 42.07 2cr5 s TYR 63 CO 0.05 -0.24 0.36 0.54 -1.11 0.00 0.00 175.55 175.15 2cr5 n ARG 64 N 2.81 0.71 -5.20 -0.62 1.74 -1.13 -4.27 116.66 110.70 2cr5 n ARG 64 Ca -0.13 -3.36 -0.32 0.00 -0.77 0.00 0.00 57.85 53.27 2cr5 n ARG 64 Cb 0.57 0.41 -0.16 0.00 -1.02 0.00 0.00 32.46 32.26 2cr5 n ARG 64 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2cr5 s LEU 65 N 0.00 2.20 0.06 0.55 1.43 -1.26 -3.42 118.68 118.24 2cr5 s LEU 65 Ca 0.27 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 2cr5 s LEU 65 Cb -0.02 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 2cr5 s LEU 65 CO 0.17 0.28 -0.06 -0.44 0.23 0.00 0.00 176.35 176.53 2cr5 s SER 66 N -0.37 0.89 0.21 2.29 0.01 -1.22 -0.02 113.70 115.48 2cr5 s SER 66 Ca 0.03 -0.78 -0.16 0.00 1.31 0.00 0.00 55.95 56.34 2cr5 s SER 66 Cb -0.12 0.08 -0.08 0.00 0.21 0.00 0.00 66.02 66.11 2cr5 s SER 66 CO 0.02 -0.36 0.66 0.42 0.41 0.00 0.00 173.24 174.38 2cr5 s THR 67 N -2.60 4.70 0.08 1.44 -4.23 -1.19 -2.35 115.64 111.50 2cr5 s THR 67 Ca 0.00 1.03 -0.27 0.00 -1.18 0.00 0.00 61.69 61.27 2cr5 s THR 67 Cb -0.02 -3.76 -0.12 0.00 1.34 0.00 0.00 72.50 69.94 2cr5 s THR 67 CO -0.03 0.14 1.43 -1.28 -0.54 0.00 0.00 174.62 174.35 2cr5 h SER 68 N 3.24 -1.26 -3.16 3.99 0.87 -1.86 -3.33 113.55 112.04 2cr5 h SER 68 Ca -0.48 0.13 -0.26 0.00 -1.23 0.00 0.00 61.79 59.95 2cr5 h SER 68 Cb 1.19 0.46 -0.34 0.00 -0.44 0.00 0.00 62.40 63.28 2cr5 h SER 68 CO 0.66 -0.44 -0.59 0.72 -0.53 0.00 0.00 176.83 176.64 2cr5 s PHE 69 N -5.16 -0.23 1.11 2.24 -0.71 -1.26 -3.65 117.98 110.32 2cr5 s PHE 69 Ca -0.13 0.66 -0.16 0.00 -1.04 0.00 0.00 56.93 56.26 2cr5 s PHE 69 Cb 0.05 -0.15 0.24 0.00 -1.21 0.00 0.00 43.02 41.95 2cr5 s PHE 69 CO 0.48 -0.26 1.10 -1.25 -1.34 0.00 0.00 175.22 173.95 2cr5 s PRO 70 N 1.93 -0.49 -0.55 1.99 0.04 -1.26 -5.10 135.00 131.57 2cr5 s PRO 70 Ca -0.02 0.20 -0.16 0.00 0.04 0.00 0.00 61.00 61.07 2cr5 s PRO 70 Cb -0.12 -1.66 0.13 0.00 0.04 0.00 0.00 34.50 32.90 2cr5 s PRO 70 CO -0.07 -3.28 0.51 0.50 0.04 0.00 0.00 177.00 174.70 2cr5 s ARG 71 N -5.19 3.00 0.06 4.56 3.52 -1.24 -4.33 118.95 119.33 2cr5 s ARG 71 Ca 0.68 -1.74 -0.08 0.00 -0.13 0.00 0.00 55.73 54.47 2cr5 s ARG 71 Cb -0.14 -4.30 -0.00 0.00 -1.56 0.00 0.00 34.95 28.95 2cr5 s ARG 71 CO 0.57 -1.33 0.16 0.50 -0.81 0.00 0.00 175.30 174.39 2cr5 s ARG 72 N 1.55 0.72 -0.20 5.12 3.52 -1.26 -5.00 118.95 123.40 2cr5 s ARG 72 Ca 0.04 -0.81 -0.29 0.00 -0.13 0.00 0.00 55.73 54.54 2cr5 s ARG 72 Cb -0.29 0.29 -0.01 0.00 -1.56 0.00 0.00 34.95 33.38 2cr5 s ARG 72 CO 0.03 -0.21 1.28 0.00 -0.81 0.00 0.00 175.30 175.58 2cr5 s ALA 73 N -3.12 3.58 0.61 6.12 0.00 -1.26 -3.15 121.76 124.55 2cr5 s ALA 73 Ca -0.01 0.37 -0.08 0.00 0.00 0.00 0.00 51.96 52.23 2cr5 s ALA 73 Cb 0.02 -3.66 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 2cr5 s ALA 73 CO -0.07 -1.33 0.97 -0.51 0.00 0.00 0.00 175.76 174.81 2cr5 s LEU 74 N 3.74 3.19 -0.08 0.00 1.02 0.97 -4.99 118.68 122.54 2cr5 s LEU 74 Ca 0.55 1.01 0.02 0.00 0.02 0.00 0.00 54.13 55.73 2cr5 s LEU 74 Cb -0.20 -3.89 0.02 0.00 0.02 0.00 0.00 46.19 42.13 2cr5 s LEU 74 CO 0.17 -1.03 -0.12 -1.83 0.02 0.00 0.00 176.35 173.56 2cr5 s GLU 75 N -5.10 1.73 -1.02 1.70 -1.05 -1.26 -4.61 118.70 109.08 2cr5 s GLU 75 Ca 0.54 -0.40 -0.23 0.00 -0.15 0.00 0.00 54.97 54.73 2cr5 s GLU 75 Cb -0.11 -1.50 -0.03 0.00 -0.44 0.00 0.00 34.13 32.05 2cr5 s GLU 75 CO 0.49 -0.04 1.84 0.08 0.95 0.00 0.00 175.26 178.58 2cr5 s VAL 76 N 0.91 3.61 0.25 1.83 1.01 -1.26 -4.81 120.40 121.94 2cr5 s VAL 76 Ca -0.10 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 61.28 2cr5 s VAL 76 Cb -0.15 -4.43 0.27 0.00 0.00 0.00 0.00 36.38 32.07 2cr5 s VAL 76 CO 0.01 -1.22 1.14 1.21 0.00 0.00 0.00 175.10 176.24 2cr5 n GLU 77 N 8.68 -0.05 0.00 2.72 4.07 -1.26 -4.74 120.64 130.06 2cr5 n GLU 77 Ca 0.41 1.03 0.00 0.00 -0.06 0.00 0.00 57.16 58.54 2cr5 n GLU 77 Cb 0.47 -1.77 0.00 0.00 -0.06 0.00 0.00 31.44 30.08 2cr5 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2cr5 n GLY 78 N -1.25 2.31 0.11 8.31 0.00 -1.26 -4.60 105.19 108.81 2cr5 n GLY 78 Ca 0.24 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 2cr5 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cr5 n GLY 79 N 0.00 -0.71 3.79 -0.02 0.00 -1.26 -4.84 105.19 102.15 2cr5 n GLY 79 Ca 0.00 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 2cr5 n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr5 s SER 80 N -6.22 6.31 0.81 1.61 0.01 -1.26 -5.04 113.70 109.91 2cr5 s SER 80 Ca -0.20 2.04 -0.12 0.00 1.31 0.00 0.00 55.95 58.99 2cr5 s SER 80 Cb 0.07 -2.57 0.08 0.00 0.21 0.00 0.00 66.02 63.81 2cr5 s SER 80 CO 0.74 -0.81 1.17 -0.94 0.41 0.00 0.00 173.24 173.82 2cr5 s SER 81 N -1.78 4.47 0.44 2.44 1.04 -1.26 -4.24 113.70 114.81 2cr5 s SER 81 Ca 0.66 0.74 0.15 0.00 0.48 0.00 0.00 55.95 57.98 2cr5 s SER 81 Cb -0.20 -1.22 1.06 0.00 0.10 0.00 0.00 66.02 65.76 2cr5 s SER 81 CO 0.24 -1.92 1.95 -0.07 0.98 0.00 0.00 173.24 174.43 2cr5 h LEU 82 N -1.05 0.36 0.00 2.42 3.38 -1.14 0.32 115.31 119.59 2cr5 h LEU 82 Ca -0.46 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2cr5 h LEU 82 Cb 1.33 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2cr5 h LEU 82 CO 0.65 0.20 -0.21 -0.08 0.09 0.00 0.00 178.44 179.09 2cr5 h GLU 83 N 0.39 0.00 0.05 1.13 4.81 -1.83 0.18 114.58 119.32 2cr5 h GLU 83 Ca 0.32 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.30 2cr5 h GLU 83 Cb 0.73 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 2cr5 h GLU 83 CO -0.09 0.00 -1.27 -0.44 -0.73 0.00 0.00 179.01 176.48 2cr5 h ASP 84 N 0.00 0.17 1.16 1.04 3.32 -0.72 -3.31 116.42 118.08 2cr5 h ASP 84 Ca 0.00 -0.22 -0.15 0.00 0.02 0.00 0.00 57.03 56.69 2cr5 h ASP 84 Cb 0.82 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 2cr5 h ASP 84 CO 0.00 1.17 -0.88 0.16 -1.72 0.00 0.00 179.24 177.97 2cr5 h ILE 85 N 0.03 0.89 0.00 0.35 3.07 -1.32 -3.47 117.51 117.06 2cr5 h ILE 85 Ca -0.13 -2.36 0.00 0.00 1.55 0.00 0.00 64.86 63.92 2cr5 h ILE 85 Cb 1.90 2.38 0.00 0.00 -0.27 0.00 0.00 36.82 40.83 2cr5 h ILE 85 CO 0.14 0.51 0.00 0.61 -1.05 0.00 0.00 178.15 178.36 2cr5 n GLY 86 N 1.30 0.77 0.00 0.16 0.00 -1.12 -5.06 105.19 101.25 2cr5 n GLY 86 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2cr5 n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cr5 n ILE 87 N 0.00 0.26 0.26 -0.61 2.08 0.63 -4.77 119.36 117.21 2cr5 n ILE 87 Ca 0.00 -0.33 0.15 0.00 0.56 0.00 0.00 62.75 63.13 2cr5 n ILE 87 Cb 0.00 1.08 0.80 0.00 -0.75 0.00 0.00 39.64 40.77 2cr5 n ILE 87 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2cr5 h THR 88 N 1.38 0.00 -3.63 1.39 1.03 -1.80 -3.41 112.91 107.87 2cr5 h THR 88 Ca 0.00 0.00 -0.59 0.00 -0.01 0.00 0.00 66.41 65.81 2cr5 h THR 88 Cb 0.63 0.65 -0.20 0.00 -1.07 0.00 0.00 68.15 68.16 2cr5 h THR 88 CO 0.00 0.00 -0.82 0.68 -0.01 0.00 0.00 175.52 175.37 2cr5 s VAL 89 N -3.84 1.96 -0.00 0.00 -7.23 -1.26 -4.83 120.40 105.21 2cr5 s VAL 89 Ca -0.03 -1.77 -0.40 0.00 -1.81 0.00 0.00 61.98 57.96 2cr5 s VAL 89 Cb 0.08 -1.82 -0.20 0.00 0.56 0.00 0.00 36.38 35.00 2cr5 s VAL 89 CO 0.27 -0.11 1.07 -0.90 -0.31 0.00 0.00 175.10 175.12 2cr5 n ASP 90 N 0.70 -0.00 -3.77 4.85 5.75 -1.26 -4.87 116.55 117.94 2cr5 n ASP 90 Ca -0.16 1.16 -0.13 0.00 -0.01 0.00 0.00 54.79 55.65 2cr5 n ASP 90 Cb 0.55 -0.92 -0.11 0.00 -1.03 0.00 0.00 41.12 39.61 2cr5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2cr5 s THR 91 N 0.02 -0.00 -0.24 2.12 2.01 -1.23 -5.02 115.64 113.30 2cr5 s THR 91 Ca 0.91 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.81 2cr5 s THR 91 Cb -1.27 -0.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 2cr5 s THR 91 CO 0.57 0.00 0.14 -0.69 -0.69 0.00 0.00 174.62 173.95 2cr5 s VAL 92 N 0.16 5.18 0.14 3.82 1.01 -1.26 -3.13 120.40 126.32 2cr5 s VAL 92 Ca -0.00 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 2cr5 s VAL 92 Cb -0.02 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 2cr5 s VAL 92 CO 0.00 0.35 0.33 -0.76 0.00 0.00 0.00 175.10 175.02 2cr5 s LEU 93 N 1.08 4.28 -0.15 3.92 1.43 0.10 -2.44 118.68 126.90 2cr5 s LEU 93 Ca 0.07 0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 53.57 2cr5 s LEU 93 Cb -0.14 -3.13 0.03 0.00 0.03 0.00 0.00 46.19 42.98 2cr5 s LEU 93 CO 0.04 0.05 -0.09 0.20 0.23 0.00 0.00 176.35 176.78 2cr5 s ASN 94 N -2.78 2.70 -0.64 2.29 0.01 -0.99 -0.40 114.94 115.12 2cr5 s ASN 94 Ca 0.38 -0.55 -0.27 0.00 -0.71 0.00 0.00 52.86 51.71 2cr5 s ASN 94 Cb -0.12 -1.03 0.02 0.00 0.41 0.00 0.00 41.25 40.53 2cr5 s ASN 94 CO 0.27 -0.12 1.41 -0.69 -1.51 0.00 0.00 177.10 176.47 2cr5 s VAL 95 N 1.57 3.71 0.44 1.60 1.01 -0.80 -3.44 120.40 124.49 2cr5 s VAL 95 Ca 0.03 0.51 0.08 0.00 0.00 0.00 0.00 61.98 62.60 2cr5 s VAL 95 Cb -0.14 -4.58 -0.00 0.00 0.00 0.00 0.00 36.38 31.66 2cr5 s VAL 95 CO -0.09 -1.42 0.45 -1.83 0.00 0.00 0.00 175.10 172.21 2cr5 s GLU 96 N 5.79 2.56 -0.18 2.72 -1.05 -1.22 -4.55 118.70 122.78 2cr5 s GLU 96 Ca 0.47 -1.52 -0.12 0.00 -0.15 0.00 0.00 54.97 53.65 2cr5 s GLU 96 Cb -0.10 -2.45 -0.05 0.00 -0.44 0.00 0.00 34.13 31.09 2cr5 s GLU 96 CO 0.20 -0.28 0.22 -1.21 0.95 0.00 0.00 175.26 175.14 2cr5 s GLU 97 N -4.22 4.22 0.26 -4.83 2.02 -1.26 -2.85 118.70 112.05 2cr5 s GLU 97 Ca 0.49 -0.05 -0.17 0.00 0.02 0.00 0.00 54.97 55.26 2cr5 s GLU 97 Cb -0.05 -3.42 -0.12 0.00 0.10 0.00 0.00 34.13 30.64 2cr5 s GLU 97 CO 0.29 0.27 0.15 1.63 0.02 0.00 0.00 175.26 177.62 2cr5 n LYS 98 N 3.54 0.00 -1.78 1.61 4.76 -1.23 -4.91 118.16 120.15 2cr5 n LYS 98 Ca -0.14 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.01 2cr5 n LYS 98 Cb 0.52 -0.76 0.09 0.00 -1.84 0.00 0.00 35.03 33.04 2cr5 n LYS 98 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2cr5 s GLU 99 N -0.76 2.03 -0.04 1.97 2.12 -1.26 -5.01 118.70 117.75 2cr5 s GLU 99 Ca 0.46 0.30 -0.26 0.00 0.36 0.00 0.00 54.97 55.82 2cr5 s GLU 99 Cb -0.54 -1.94 -0.21 0.00 0.26 0.00 0.00 34.13 31.69 2cr5 s GLU 99 CO 0.46 -1.59 1.18 1.96 -0.54 0.00 0.00 175.26 176.74 2cr5 h GLN 100 N -1.05 0.01 -3.31 4.30 4.20 -2.07 -3.46 115.11 113.73 2cr5 h GLN 100 Ca -0.47 -0.01 -0.19 0.00 0.06 0.00 0.00 58.65 58.05 2cr5 h GLN 100 Cb 1.30 0.00 -0.26 0.00 0.30 0.00 0.00 27.48 28.82 2cr5 h GLN 100 CO 0.64 0.58 -0.52 -1.12 -0.67 0.00 0.00 178.83 177.74 2cr5 s SER 101 N -5.80 -0.18 0.00 1.46 0.01 -1.26 -5.14 113.70 102.79 2cr5 s SER 101 Ca -0.16 0.35 -0.27 0.00 1.31 0.00 0.00 55.95 57.17 2cr5 s SER 101 Cb 0.01 0.35 -0.04 0.00 0.21 0.00 0.00 66.02 66.55 2cr5 s SER 101 CO 0.68 -0.06 0.85 -0.55 0.41 0.00 0.00 173.24 174.57 2cr5 s SER 102 N 0.13 7.24 0.16 2.44 0.15 -1.26 -5.05 113.70 117.50 2cr5 s SER 102 Ca -0.00 1.49 -0.03 0.00 0.70 0.00 0.00 55.95 58.11 2cr5 s SER 102 Cb -0.02 -2.50 -0.05 0.00 -1.71 0.00 0.00 66.02 61.74 2cr5 s SER 102 CO -0.00 -0.14 0.37 -1.58 1.20 0.00 0.00 173.24 173.09 2cr5 s GLN 103 N 0.62 3.57 -0.08 5.44 0.74 -1.26 -5.10 119.66 123.59 2cr5 s GLN 103 Ca 0.44 -0.20 0.00 0.00 0.05 0.00 0.00 55.36 55.66 2cr5 s GLN 103 Cb -0.20 -2.86 0.02 0.00 1.10 0.00 0.00 33.01 31.07 2cr5 s GLN 103 CO 0.24 0.45 -0.06 0.45 -0.55 0.00 0.00 175.29 175.83 2cr5 s SER 104 N -2.69 1.64 0.00 6.67 0.15 -1.26 -4.94 113.70 113.26 2cr5 s SER 104 Ca 0.40 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.85 2cr5 s SER 104 Cb -0.12 -0.63 0.00 0.00 -1.71 0.00 0.00 66.02 63.56 2cr5 s SER 104 CO 0.27 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.22 2cr5 n GLY 105 N 4.58 -2.08 0.04 9.45 0.00 -1.26 -4.95 105.19 110.96 2cr5 n GLY 105 Ca -0.16 0.82 0.08 0.00 0.00 0.00 0.00 46.02 46.77 2cr5 n GLY 105 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cr5 n PRO 106 N 0.00 0.05 -1.10 1.61 -0.04 -1.26 -4.87 135.00 129.39 2cr5 n PRO 106 Ca 0.00 0.30 -0.35 0.00 -0.04 0.00 0.00 63.50 63.42 2cr5 n PRO 106 Cb 0.00 -1.60 0.01 0.00 -0.04 0.00 0.00 33.50 31.87 2cr5 n PRO 106 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr5 n SER 107 N -1.70 -3.34 -4.78 3.54 2.88 -1.26 -4.97 113.62 103.99 2cr5 n SER 107 Ca 0.03 0.57 -0.22 0.00 -1.33 0.00 0.00 58.87 57.91 2cr5 n SER 107 Cb 0.18 -0.75 -0.05 0.00 -0.75 0.00 0.00 64.21 62.84 2cr5 n SER 107 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cr5 s SER 108 N -0.89 4.88 0.00 -3.46 1.04 -1.26 -5.19 113.70 108.82 2cr5 s SER 108 Ca 0.50 -0.70 0.18 0.00 0.48 0.00 0.00 55.95 56.41 2cr5 s SER 108 Cb -0.43 -0.78 0.14 0.00 0.10 0.00 0.00 66.02 65.06 2cr5 s SER 108 CO 0.59 -0.36 1.07 0.61 0.98 0.00 0.00 173.24 176.14