#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr5 n SER 2 N 0.00 1.03 -3.55 1.61 2.88 -1.26 -5.02 113.62 109.31 2cr5 n SER 2 Ca 0.00 0.16 -0.26 0.00 -1.33 0.00 0.00 58.87 57.44 2cr5 n SER 2 Cb 0.00 -0.38 0.05 0.00 -0.75 0.00 0.00 64.21 63.13 2cr5 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2cr5 n SER 3 N -3.63 -5.60 -0.04 -3.46 7.64 -1.26 -4.61 113.62 102.65 2cr5 n SER 3 Ca -0.12 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.21 2cr5 n SER 3 Cb 0.41 -4.47 0.00 0.00 -1.01 0.00 0.00 64.21 59.14 2cr5 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr5 n GLY 4 N -1.73 0.92 3.83 0.23 0.00 -1.26 -5.07 105.19 102.11 2cr5 n GLY 4 Ca -0.01 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 2cr5 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr5 s SER 5 N 0.00 5.47 0.20 1.61 1.04 -1.26 -4.95 113.70 115.80 2cr5 s SER 5 Ca 0.00 1.57 -0.12 0.00 0.48 0.00 0.00 55.95 57.88 2cr5 s SER 5 Cb 0.00 -2.46 0.24 0.00 0.10 0.00 0.00 66.02 63.90 2cr5 s SER 5 CO 0.00 -1.38 1.69 -1.28 0.98 0.00 0.00 173.24 173.25 2cr5 h SER 6 N -0.68 -0.11 -5.92 7.02 0.87 -1.97 -3.46 113.55 109.30 2cr5 h SER 6 Ca -0.44 0.12 -0.35 0.00 -1.23 0.00 0.00 61.79 59.89 2cr5 h SER 6 Cb 1.21 0.19 0.01 0.00 -0.44 0.00 0.00 62.40 63.37 2cr5 h SER 6 CO 0.58 -0.04 -0.95 0.61 -0.53 0.00 0.00 176.83 176.50 2cr5 n GLY 7 N -1.32 -0.26 1.87 5.77 0.00 -1.26 -4.76 105.19 105.23 2cr5 n GLY 7 Ca 0.07 0.78 -0.13 0.00 0.00 0.00 0.00 46.02 46.74 2cr5 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cr5 n GLU 8 N -0.86 1.68 -4.90 1.61 1.02 -1.26 -4.86 120.64 113.06 2cr5 n GLU 8 Ca -0.14 -1.20 -0.33 0.00 -0.02 0.00 0.00 57.16 55.47 2cr5 n GLU 8 Cb 0.55 -1.54 -0.14 0.00 -0.02 0.00 0.00 31.44 30.29 2cr5 n GLU 8 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2cr5 s VAL 9 N -1.45 2.87 0.91 2.62 0.11 -1.26 -5.12 120.40 119.07 2cr5 s VAL 9 Ca 0.29 -0.76 -0.12 0.00 -2.93 0.00 0.00 61.98 58.47 2cr5 s VAL 9 Cb 0.20 -2.15 0.13 0.00 -1.53 0.00 0.00 36.38 33.03 2cr5 s VAL 9 CO -0.03 0.55 1.09 -2.16 -3.33 0.00 0.00 175.10 171.23 2cr5 s PRO 10 N -0.05 1.17 0.27 1.54 0.04 -1.26 -5.07 135.00 131.63 2cr5 s PRO 10 Ca -0.04 0.78 0.10 0.00 0.04 0.00 0.00 61.00 61.88 2cr5 s PRO 10 Cb -0.14 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2cr5 s PRO 10 CO 0.04 -2.29 -0.00 -0.51 0.04 0.00 0.00 177.00 174.28 2cr5 s ASP 11 N -3.43 4.51 0.08 6.66 1.01 -1.26 -4.88 116.67 119.37 2cr5 s ASP 11 Ca 0.64 -0.67 0.05 0.00 0.71 0.00 0.00 52.55 53.27 2cr5 s ASP 11 Cb -0.18 -0.82 -0.04 0.00 1.01 0.00 0.00 42.92 42.90 2cr5 s ASP 11 CO 0.57 -0.02 -0.01 -0.76 0.21 0.00 0.00 175.17 175.16 2cr5 s LEU 12 N -3.68 3.43 0.34 1.23 1.43 -1.26 -4.99 118.68 115.18 2cr5 s LEU 12 Ca 0.32 -0.18 -0.28 0.00 -1.03 0.00 0.00 54.13 52.96 2cr5 s LEU 12 Cb -0.06 -2.14 -0.10 0.00 0.03 0.00 0.00 46.19 43.92 2cr5 s LEU 12 CO 0.20 0.19 1.21 -2.16 0.23 0.00 0.00 176.35 176.02 2cr5 s PRO 13 N -2.21 4.34 -0.41 1.29 0.04 -1.26 -4.85 135.00 131.93 2cr5 s PRO 13 Ca 0.25 2.00 -0.38 0.00 0.04 0.00 0.00 61.00 62.91 2cr5 s PRO 13 Cb -0.12 -2.98 -0.16 0.00 0.04 0.00 0.00 34.50 31.28 2cr5 s PRO 13 CO 0.17 -0.13 1.47 0.39 0.04 0.00 0.00 177.00 178.94 2cr5 n GLU 14 N 0.68 0.00 -1.77 4.56 4.71 -1.26 -4.79 120.64 122.77 2cr5 n GLU 14 Ca 0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.75 2cr5 n GLU 14 Cb 0.44 -1.23 0.01 0.00 -1.01 0.00 0.00 31.44 29.65 2cr5 n GLU 14 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2cr5 n GLU 15 N 4.29 2.51 -2.26 3.49 2.13 -1.26 -4.96 120.64 124.58 2cr5 n GLU 15 Ca 0.32 0.89 -0.35 0.00 0.66 0.00 0.00 57.16 58.68 2cr5 n GLU 15 Cb -0.04 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.02 2cr5 n GLU 15 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2cr5 s PRO 16 N -2.22 3.36 0.60 5.31 0.04 -1.26 -5.03 135.00 135.80 2cr5 s PRO 16 Ca 0.56 1.62 -0.13 0.00 0.04 0.00 0.00 61.00 63.08 2cr5 s PRO 16 Cb -0.47 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 2cr5 s PRO 16 CO 0.62 -0.85 1.03 -1.12 0.04 0.00 0.00 177.00 176.72 2cr5 s SER 17 N -1.76 6.10 0.59 6.66 0.01 -1.26 -4.80 113.70 119.23 2cr5 s SER 17 Ca 0.73 1.56 0.28 0.00 1.31 0.00 0.00 55.95 59.83 2cr5 s SER 17 Cb -0.24 -2.50 1.60 0.00 0.21 0.00 0.00 66.02 65.09 2cr5 s SER 17 CO 0.27 -0.95 2.04 1.05 0.41 0.00 0.00 173.24 176.06 2cr5 h GLU 18 N 0.06 0.00 0.06 12.44 9.09 -2.01 -0.31 114.58 133.91 2cr5 h GLU 18 Ca -0.45 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 58.66 2cr5 h GLU 18 Cb 1.20 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.27 2cr5 h GLU 18 CO 0.60 0.00 -1.65 1.79 0.05 0.00 0.00 179.01 179.80 2cr5 h THR 19 N 0.00 0.97 -0.39 -1.06 1.35 -2.00 -3.47 112.91 108.31 2cr5 h THR 19 Ca 0.12 -2.72 -0.70 0.00 -0.55 0.00 0.00 66.41 62.56 2cr5 h THR 19 Cb 0.68 2.57 -0.01 0.00 -1.73 0.00 0.00 68.15 69.66 2cr5 h THR 19 CO -0.00 0.71 0.88 0.00 -0.25 0.00 0.00 175.52 176.86 2cr5 n ALA 20 N -2.66 -0.43 -0.92 6.62 0.00 -0.13 -4.85 120.51 118.14 2cr5 n ALA 20 Ca -0.18 0.29 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 2cr5 n ALA 20 Cb 1.04 -1.72 0.14 0.00 0.00 0.00 0.00 19.45 18.91 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 3.97 1.35 -1.41 0.00 -1.05 -1.26 -3.53 118.70 116.76 2cr5 s GLU 21 Ca 0.97 1.32 -0.08 0.00 -0.15 0.00 0.00 54.97 57.03 2cr5 s GLU 21 Cb -1.29 -1.78 0.04 0.00 -0.44 0.00 0.00 34.13 30.66 2cr5 s GLU 21 CO 0.63 -2.33 0.94 0.39 0.95 0.00 0.00 175.26 175.84 2cr5 n GLU 22 N -4.01 -5.85 -4.36 -4.83 1.02 -1.26 -4.87 120.64 96.48 2cr5 n GLU 22 Ca 0.10 0.66 -0.19 0.00 -0.02 0.00 0.00 57.16 57.72 2cr5 n GLU 22 Cb 0.53 -5.49 -0.15 0.00 -0.02 0.00 0.00 31.44 26.31 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 -3.42 0.71 0.43 2.62 1.01 -1.23 0.46 120.40 120.98 2cr5 s VAL 23 Ca 0.40 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.06 2cr5 s VAL 23 Cb -0.20 -0.60 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 2cr5 s VAL 23 CO 0.80 0.20 0.02 0.68 0.00 0.00 0.00 175.10 176.80 2cr5 s VAL 24 N -0.17 1.65 -0.43 2.92 -7.23 -0.57 -4.92 120.40 111.64 2cr5 s VAL 24 Ca 0.03 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.14 2cr5 s VAL 24 Cb -0.04 -2.73 0.11 0.00 0.56 0.00 0.00 36.38 34.28 2cr5 s VAL 24 CO -0.00 0.00 0.26 -0.89 -0.31 0.00 0.00 175.10 174.16 2cr5 s THR 25 N -2.83 3.73 -0.26 5.32 2.01 -1.26 -0.56 115.64 121.79 2cr5 s THR 25 Ca 0.27 -1.89 -0.17 0.00 0.31 0.00 0.00 61.69 60.21 2cr5 s THR 25 Cb 0.07 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 2cr5 s THR 25 CO 0.14 -0.70 0.46 -0.69 -0.69 0.00 0.00 174.62 173.13 2cr5 s VAL 26 N 1.25 5.11 -0.31 3.82 1.01 0.58 -3.40 120.40 128.47 2cr5 s VAL 26 Ca 0.07 0.77 -0.06 0.00 0.00 0.00 0.00 61.98 62.76 2cr5 s VAL 26 Cb -0.24 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.39 2cr5 s VAL 26 CO -0.02 0.12 0.07 0.00 0.00 0.00 0.00 175.10 175.27 2cr5 s ALA 27 N 2.18 3.01 -0.21 5.51 0.00 -1.15 -1.81 121.76 129.29 2cr5 s ALA 27 Ca 0.19 -1.62 -0.23 0.00 0.00 0.00 0.00 51.96 50.30 2cr5 s ALA 27 Cb -0.16 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 2cr5 s ALA 27 CO 0.09 -1.15 0.75 -0.51 0.00 0.00 0.00 175.76 174.95 2cr5 s LEU 28 N 1.42 4.13 -0.14 0.00 1.43 0.12 -1.82 118.68 123.82 2cr5 s LEU 28 Ca -0.00 0.99 -0.22 0.00 -1.03 0.00 0.00 54.13 53.87 2cr5 s LEU 28 Cb -0.18 -3.09 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 2cr5 s LEU 28 CO 0.02 -0.40 0.67 -0.13 0.23 0.00 0.00 176.35 176.74 2cr5 s ARG 29 N 2.32 4.32 0.31 1.70 1.81 -1.04 0.27 118.95 128.64 2cr5 s ARG 29 Ca 0.33 0.75 -0.08 0.00 -1.72 0.00 0.00 55.73 55.02 2cr5 s ARG 29 Cb -0.16 -3.51 -0.06 0.00 -0.45 0.00 0.00 34.95 30.77 2cr5 s ARG 29 CO 0.10 -0.10 0.62 0.00 -0.68 0.00 0.00 175.30 175.25 2cr5 n PRO 31 N -0.79 0.48 -0.05 0.00 -0.04 -1.24 -2.17 135.00 131.19 2cr5 n PRO 31 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 2cr5 n PRO 31 Cb 0.53 -1.36 -0.15 0.00 -0.04 0.00 0.00 33.50 32.49 2cr5 n PRO 31 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2cr5 n ASN 32 N -0.86 0.19 0.00 3.54 4.13 -1.26 -5.00 115.26 116.00 2cr5 n ASN 32 Ca 0.08 0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.43 2cr5 n ASN 32 Cb 0.04 1.10 0.00 0.00 -1.54 0.00 0.00 39.78 39.38 2cr5 n ASN 32 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2cr5 n GLY 33 N 1.53 1.22 3.83 7.41 0.00 -0.92 -5.12 105.19 113.14 2cr5 n GLY 33 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 4.15 -0.10 1.61 1.70 -1.26 -4.83 118.95 120.22 2cr5 s ARG 34 Ca 0.00 0.74 0.03 0.00 -0.47 0.00 0.00 55.73 56.04 2cr5 s ARG 34 Cb 0.00 -2.85 -0.00 0.00 -0.57 0.00 0.00 34.95 31.52 2cr5 s ARG 34 CO 0.00 0.40 -0.22 0.54 -1.08 0.00 0.00 175.30 174.94 2cr5 s VAL 35 N -1.55 2.27 -0.18 4.99 0.11 -1.26 -0.76 120.40 124.03 2cr5 s VAL 35 Ca 0.43 -0.95 -0.20 0.00 -2.93 0.00 0.00 61.98 58.33 2cr5 s VAL 35 Cb -0.16 -1.88 -0.03 0.00 -1.53 0.00 0.00 36.38 32.78 2cr5 s VAL 35 CO 0.20 0.55 0.58 -0.76 -3.33 0.00 0.00 175.10 172.35 2cr5 s LEU 36 N 0.31 4.17 -0.12 2.54 1.43 0.14 -4.87 118.68 122.28 2cr5 s LEU 36 Ca -0.16 0.81 -0.06 0.00 -1.03 0.00 0.00 54.13 53.68 2cr5 s LEU 36 Cb -0.17 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 2cr5 s LEU 36 CO 0.08 -0.20 0.11 -0.13 0.23 0.00 0.00 176.35 176.44 2cr5 s ARG 37 N 1.58 3.44 -0.19 1.70 0.52 -1.26 0.16 118.95 124.91 2cr5 s ARG 37 Ca 0.28 -0.20 -0.28 0.00 -0.52 0.00 0.00 55.73 55.01 2cr5 s ARG 37 Cb -0.16 -3.14 0.10 0.00 0.52 0.00 0.00 34.95 32.27 2cr5 s ARG 37 CO 0.11 0.70 0.87 0.50 0.02 0.00 0.00 175.30 177.50 2cr5 s ARG 38 N -0.82 0.74 0.41 3.54 3.52 -0.75 -5.00 118.95 120.59 2cr5 s ARG 38 Ca 0.14 0.49 -0.12 0.00 -0.13 0.00 0.00 55.73 56.11 2cr5 s ARG 38 Cb -0.12 0.35 -0.07 0.00 -1.56 0.00 0.00 34.95 33.56 2cr5 s ARG 38 CO 0.03 -0.17 0.79 1.03 -0.81 0.00 0.00 175.30 176.18 2cr5 s ARG 39 N -0.43 3.81 -0.25 5.12 0.52 -1.26 -0.30 118.95 126.15 2cr5 s ARG 39 Ca -0.02 0.54 -0.12 0.00 -0.52 0.00 0.00 55.73 55.61 2cr5 s ARG 39 Cb -0.03 -2.36 0.09 0.00 0.52 0.00 0.00 34.95 33.17 2cr5 s ARG 39 CO 0.01 -0.05 0.59 -0.06 0.02 0.00 0.00 175.30 175.82 2cr5 s PHE 40 N -2.38 -1.02 1.04 -0.53 0.08 0.27 -4.48 117.98 110.96 2cr5 s PHE 40 Ca 0.52 1.96 -0.18 0.00 0.12 0.00 0.00 56.93 59.36 2cr5 s PHE 40 Cb -0.10 0.57 0.02 0.00 -0.57 0.00 0.00 43.02 42.95 2cr5 s PHE 40 CO 0.30 -0.53 -0.11 1.19 -0.10 0.00 0.00 175.22 175.97 2cr5 n PHE 41 N 4.74 -1.79 0.75 0.36 3.72 -1.26 -1.52 117.46 122.47 2cr5 n PHE 41 Ca -0.17 0.21 0.11 0.00 -0.05 0.00 0.00 57.45 57.55 2cr5 n PHE 41 Cb 0.54 -1.60 0.05 0.00 -0.94 0.00 0.00 39.48 37.53 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 -1.00 0.17 0.04 -1.08 5.02 0.17 -4.06 118.16 117.42 2cr5 n LYS 42 Ca 0.02 -0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.24 2cr5 n LYS 42 Cb 0.60 -1.55 -0.12 0.00 -0.02 0.00 0.00 35.03 33.95 2cr5 n LYS 42 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2cr5 h SER 43 N 0.00 0.00 -3.20 4.39 0.87 -1.91 -2.92 113.55 110.78 2cr5 h SER 43 Ca 0.00 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 60.08 2cr5 h SER 43 Cb 0.63 0.00 0.22 0.00 -0.44 0.00 0.00 62.40 62.81 2cr5 h SER 43 CO 0.00 0.96 -0.44 0.79 -0.53 0.00 0.00 176.83 177.61 2cr5 n TRP 44 N -3.26 -0.97 -4.34 2.24 8.01 -1.26 -4.58 117.44 113.28 2cr5 n TRP 44 Ca -0.04 0.14 -0.34 0.00 -1.31 0.00 0.00 57.50 55.94 2cr5 n TRP 44 Cb 0.95 -1.74 -0.11 0.00 -2.01 0.00 0.00 31.31 28.41 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 -2.17 5.06 0.28 -0.99 2.47 -1.26 -0.31 114.94 118.02 2cr5 s ASN 45 Ca 0.61 -0.01 0.21 0.00 0.42 0.00 0.00 52.86 54.10 2cr5 s ASN 45 Cb -0.20 -1.69 0.96 0.00 -1.45 0.00 0.00 41.25 38.87 2cr5 s ASN 45 CO 0.65 0.24 1.01 -1.54 -3.72 0.00 0.00 177.10 173.74 2cr5 n SER 46 N 3.05 0.14 -0.31 -4.21 3.41 -1.26 0.18 113.62 114.61 2cr5 n SER 46 Ca -0.18 0.90 -0.08 0.00 -0.26 0.00 0.00 58.87 59.25 2cr5 n SER 46 Cb 0.53 -0.44 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 2cr5 n SER 46 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2cr5 h GLN 47 N 0.00 -0.11 -1.16 4.33 1.08 -1.91 0.49 115.11 117.82 2cr5 h GLN 47 Ca 0.57 0.01 0.42 0.00 -1.45 0.00 0.00 58.65 58.19 2cr5 h GLN 47 Cb 1.82 0.03 -0.14 0.00 -0.05 0.00 0.00 27.48 29.14 2cr5 h GLN 47 CO -0.30 -0.08 0.72 1.55 -0.95 0.00 0.00 178.83 179.77 2cr5 n VAL 48 N -5.37 -0.27 0.19 -0.54 3.14 0.13 0.55 118.33 116.16 2cr5 n VAL 48 Ca 0.03 1.69 -0.14 0.00 -2.96 0.00 0.00 64.34 62.96 2cr5 n VAL 48 Cb 0.33 -2.77 -0.07 0.00 -1.06 0.00 0.00 33.84 30.27 2cr5 n VAL 48 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2cr5 h LEU 49 N 0.00 -0.74 -1.38 6.55 3.38 -0.17 -1.87 115.31 121.07 2cr5 h LEU 49 Ca 0.79 0.07 0.44 0.00 0.09 0.00 0.00 57.88 59.26 2cr5 h LEU 49 Cb 2.43 0.25 -0.13 0.00 0.09 0.00 0.00 40.66 43.30 2cr5 h LEU 49 CO -0.50 -0.40 0.84 -0.07 0.09 0.00 0.00 178.44 178.40 2cr5 h LEU 50 N -0.59 0.25 0.25 1.67 3.38 0.06 0.26 115.31 120.59 2cr5 h LEU 50 Ca -0.01 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2cr5 h LEU 50 Cb 0.54 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2cr5 h LEU 50 CO -0.05 -0.20 -0.12 -0.78 0.09 0.00 0.00 178.44 177.38 2cr5 h ASP 51 N 0.08 -0.29 -0.33 -0.43 1.82 -1.35 -2.81 116.42 113.11 2cr5 h ASP 51 Ca 0.83 -0.24 0.10 0.00 -0.39 0.00 0.00 57.03 57.32 2cr5 h ASP 51 Cb 2.57 0.07 -0.01 0.00 0.68 0.00 0.00 39.33 42.64 2cr5 h ASP 51 CO -0.44 0.17 0.31 -0.25 -1.61 0.00 0.00 179.24 177.43 2cr5 h TRP 52 N -0.84 0.00 -0.08 0.28 7.01 -0.20 0.11 115.95 122.23 2cr5 h TRP 52 Ca -0.03 0.00 -0.18 0.00 2.11 0.00 0.00 58.89 60.78 2cr5 h TRP 52 Cb 0.51 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.57 2cr5 h TRP 52 CO 0.05 0.00 -0.73 1.98 -2.79 0.00 0.00 178.44 176.95 2cr5 h MET 53 N 0.00 0.41 0.00 2.65 4.05 -0.94 -2.74 114.93 118.36 2cr5 h MET 53 Ca 0.16 -0.33 -0.10 0.00 -0.28 0.00 0.00 59.70 59.15 2cr5 h MET 53 Cb 0.78 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.64 2cr5 h MET 53 CO -0.00 0.97 -0.47 0.52 0.23 0.00 0.00 176.91 178.16 2cr5 h MET 54 N 0.28 0.00 -0.11 0.39 2.86 -0.36 -1.38 114.93 116.61 2cr5 h MET 54 Ca -0.03 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.42 2cr5 h MET 54 Cb 1.30 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.97 2cr5 h MET 54 CO 0.13 0.47 -0.68 -0.22 1.06 0.00 0.00 176.91 177.66 2cr5 h LYS 55 N 0.00 0.66 0.00 1.72 3.64 -1.27 -3.17 116.57 118.15 2cr5 h LYS 55 Ca -0.00 -0.56 -0.02 0.00 -1.27 0.00 0.00 60.65 58.79 2cr5 h LYS 55 Cb 1.13 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2cr5 h LYS 55 CO 0.06 1.18 -0.11 -0.39 -2.27 0.00 0.00 179.45 177.92 2cr5 h VAL 56 N 0.32 1.04 0.00 2.00 -1.51 -1.50 -3.45 116.25 113.15 2cr5 h VAL 56 Ca -0.05 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 2cr5 h VAL 56 Cb 1.33 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 2cr5 h VAL 56 CO 0.14 0.11 0.00 0.61 -1.23 0.00 0.00 177.57 177.20 2cr5 n GLY 57 N -1.19 1.18 2.86 5.19 0.00 -1.20 -5.13 105.19 106.91 2cr5 n GLY 57 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.51 -0.27 0.63 1.61 2.02 -0.53 -5.02 117.35 114.28 2cr5 s TYR 58 Ca 0.00 0.60 -0.11 0.00 -0.37 0.00 0.00 57.07 57.19 2cr5 s TYR 58 Cb 0.00 -0.23 -0.03 0.00 -0.40 0.00 0.00 41.96 41.30 2cr5 s TYR 58 CO 0.00 -0.39 1.04 -1.58 -1.57 0.00 0.00 175.55 173.04 2cr5 s HIS 59 N 2.34 3.56 -0.00 2.71 2.46 -1.26 -2.25 115.29 122.85 2cr5 s HIS 59 Ca 0.04 1.30 -0.24 0.00 0.47 0.00 0.00 55.06 56.62 2cr5 s HIS 59 Cb -0.13 -2.75 -0.17 0.00 -0.13 0.00 0.00 32.58 29.41 2cr5 s HIS 59 CO -0.08 -0.77 1.19 1.57 -2.47 0.00 0.00 174.74 174.18 2cr5 h LYS 60 N -0.38 -0.32 -0.22 2.88 2.10 -1.88 0.71 116.57 119.47 2cr5 h LYS 60 Ca -0.44 0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.20 2cr5 h LYS 60 Cb 1.19 0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 2cr5 h LYS 60 CO 0.61 0.03 0.00 1.03 -2.00 0.00 0.00 179.45 179.12 2cr5 h SER 61 N -0.73 0.29 0.54 7.07 0.87 -2.01 -2.58 113.55 117.00 2cr5 h SER 61 Ca -0.03 -0.04 -0.29 0.00 -1.23 0.00 0.00 61.79 60.20 2cr5 h SER 61 Cb 0.49 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2cr5 h SER 61 CO 0.06 0.34 -1.34 -0.07 -0.53 0.00 0.00 176.83 175.28 2cr5 h LEU 62 N 0.31 0.47 -7.69 2.23 3.38 -1.94 -3.40 115.31 108.66 2cr5 h LEU 62 Ca 0.07 -0.53 -0.24 0.00 0.09 0.00 0.00 57.88 57.27 2cr5 h LEU 62 Cb 0.21 -0.15 -0.29 0.00 0.09 0.00 0.00 40.66 40.51 2cr5 h LEU 62 CO 0.00 1.43 -0.71 -0.31 0.09 0.00 0.00 178.44 178.94 2cr5 s TYR 63 N -2.64 -0.00 0.53 1.13 2.02 0.25 -2.23 117.35 116.40 2cr5 s TYR 63 Ca -0.06 0.04 0.05 0.00 -0.37 0.00 0.00 57.07 56.73 2cr5 s TYR 63 Cb 0.07 -0.03 0.03 0.00 -0.40 0.00 0.00 41.96 41.62 2cr5 s TYR 63 CO 0.88 -0.02 0.35 -0.98 -1.57 0.00 0.00 175.55 174.22 2cr5 s ARG 64 N 0.15 2.26 0.20 -0.62 1.70 -1.07 -3.73 118.95 117.84 2cr5 s ARG 64 Ca -0.01 -2.03 0.10 0.00 -0.47 0.00 0.00 55.73 53.32 2cr5 s ARG 64 Cb -0.02 -2.05 -0.04 0.00 -0.57 0.00 0.00 34.95 32.27 2cr5 s ARG 64 CO -0.00 -0.55 -0.15 -0.51 -1.08 0.00 0.00 175.30 173.01 2cr5 s LEU 65 N -4.21 2.76 0.21 -1.89 1.43 -1.26 -3.15 118.68 112.58 2cr5 s LEU 65 Ca 0.32 -0.73 -0.20 0.00 -1.03 0.00 0.00 54.13 52.50 2cr5 s LEU 65 Cb -0.02 -1.44 0.03 0.00 0.03 0.00 0.00 46.19 44.80 2cr5 s LEU 65 CO 0.20 0.10 0.60 -0.44 0.23 0.00 0.00 176.35 177.03 2cr5 s SER 66 N -2.90 -0.32 0.46 2.29 0.01 -0.68 -3.17 113.70 109.38 2cr5 s SER 66 Ca 0.24 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 57.10 2cr5 s SER 66 Cb -0.08 0.63 0.01 0.00 0.21 0.00 0.00 66.02 66.79 2cr5 s SER 66 CO 0.14 -1.13 0.66 0.42 0.41 0.00 0.00 173.24 173.74 2cr5 s THR 67 N -3.86 3.56 0.74 1.44 -4.23 -0.64 -0.52 115.64 112.14 2cr5 s THR 67 Ca 0.08 -0.67 -0.12 0.00 -1.18 0.00 0.00 61.69 59.81 2cr5 s THR 67 Cb -0.02 -3.30 0.04 0.00 1.34 0.00 0.00 72.50 70.55 2cr5 s THR 67 CO -0.02 -0.19 1.11 -0.94 -0.54 0.00 0.00 174.62 174.04 2cr5 s SER 68 N -4.28 5.09 -0.26 3.99 1.04 -1.20 -3.70 113.70 114.38 2cr5 s SER 68 Ca 0.51 1.14 -0.34 0.00 0.48 0.00 0.00 55.95 57.74 2cr5 s SER 68 Cb -0.10 -1.89 -0.15 0.00 0.10 0.00 0.00 66.02 63.98 2cr5 s SER 68 CO 0.36 -1.57 1.10 0.33 0.98 0.00 0.00 173.24 174.44 2cr5 n PHE 69 N -3.15 1.08 -2.21 5.02 7.35 -1.26 -3.72 117.46 120.56 2cr5 n PHE 69 Ca 0.07 0.86 -0.42 0.00 -0.76 0.00 0.00 57.45 57.20 2cr5 n PHE 69 Cb 0.57 -1.67 -0.03 0.00 0.35 0.00 0.00 39.48 38.70 2cr5 n PHE 69 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2cr5 s PRO 70 N 1.58 4.36 -0.05 -7.13 0.04 -1.26 -5.09 135.00 127.45 2cr5 s PRO 70 Ca 0.77 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.55 2cr5 s PRO 70 Cb -1.09 -3.23 -0.06 0.00 0.04 0.00 0.00 34.50 30.16 2cr5 s PRO 70 CO 0.57 -0.33 1.62 0.50 0.04 0.00 0.00 177.00 179.39 2cr5 s ARG 71 N 0.51 4.19 -0.14 4.56 3.52 -1.24 -4.79 118.95 125.55 2cr5 s ARG 71 Ca 0.60 2.16 -0.13 0.00 -0.13 0.00 0.00 55.73 58.23 2cr5 s ARG 71 Cb -0.36 -3.92 0.04 0.00 -1.56 0.00 0.00 34.95 29.15 2cr5 s ARG 71 CO 0.34 -0.81 0.37 1.03 -0.81 0.00 0.00 175.30 175.42 2cr5 s ARG 72 N 3.81 0.43 -0.10 5.12 0.52 -1.24 -4.99 118.95 122.49 2cr5 s ARG 72 Ca 0.72 0.53 -0.30 0.00 -0.52 0.00 0.00 55.73 56.16 2cr5 s ARG 72 Cb -0.33 0.20 -0.03 0.00 0.52 0.00 0.00 34.95 35.31 2cr5 s ARG 72 CO 0.29 -0.06 1.34 0.00 0.02 0.00 0.00 175.30 176.89 2cr5 s ALA 73 N 0.24 3.61 0.08 2.13 0.00 -1.26 -1.62 121.76 124.94 2cr5 s ALA 73 Ca -0.00 0.64 -0.28 0.00 0.00 0.00 0.00 51.96 52.32 2cr5 s ALA 73 Cb -0.03 -3.62 -0.06 0.00 0.00 0.00 0.00 23.12 19.42 2cr5 s ALA 73 CO 0.00 -1.09 0.87 -0.51 0.00 0.00 0.00 175.76 175.04 2cr5 s LEU 74 N 3.15 4.47 -0.85 0.00 1.43 -1.19 -4.96 118.68 120.74 2cr5 s LEU 74 Ca 0.60 1.64 -0.14 0.00 -1.03 0.00 0.00 54.13 55.19 2cr5 s LEU 74 Cb -0.26 -3.43 0.21 0.00 0.03 0.00 0.00 46.19 42.75 2cr5 s LEU 74 CO 0.20 -0.03 0.82 -0.70 0.23 0.00 0.00 176.35 176.87 2cr5 s GLU 75 N -0.01 3.64 -0.59 1.70 2.12 -1.26 -4.84 118.70 119.46 2cr5 s GLU 75 Ca 0.43 -2.44 -0.34 0.00 0.36 0.00 0.00 54.97 52.99 2cr5 s GLU 75 Cb -0.22 -4.48 -0.15 0.00 0.26 0.00 0.00 34.13 29.54 2cr5 s GLU 75 CO 0.27 -1.33 2.37 0.28 -0.54 0.00 0.00 175.26 176.30 2cr5 n VAL 76 N 4.05 0.05 -2.58 3.70 0.31 -1.26 -4.89 118.33 117.71 2cr5 n VAL 76 Ca 0.15 -0.23 -0.33 0.00 -0.01 0.00 0.00 64.34 63.92 2cr5 n VAL 76 Cb 0.47 -1.31 -0.05 0.00 -0.91 0.00 0.00 33.84 32.04 2cr5 n VAL 76 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2cr5 s GLU 77 N 7.33 3.97 0.16 5.55 2.56 -1.26 -4.94 118.70 132.08 2cr5 s GLU 77 Ca 1.17 1.14 0.23 0.00 0.00 0.00 0.00 54.97 57.51 2cr5 s GLU 77 Cb -0.97 -2.14 -0.02 0.00 2.00 0.00 0.00 34.13 33.01 2cr5 s GLU 77 CO 0.48 -0.26 0.99 0.41 -0.56 0.00 0.00 175.26 176.33 2cr5 n GLY 78 N -0.81 -1.40 0.18 -1.50 0.00 -1.26 -4.45 105.19 95.95 2cr5 n GLY 78 Ca 0.08 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 1.21 -0.24 3.70 -0.02 0.00 -1.26 -4.97 105.19 103.61 2cr5 n GLY 79 Ca -0.00 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -5.81 6.95 1.07 1.61 0.01 -1.26 -5.02 113.70 111.24 2cr5 s SER 80 Ca -0.22 2.04 -0.17 0.00 1.31 0.00 0.00 55.95 58.91 2cr5 s SER 80 Cb 0.06 -2.57 0.24 0.00 0.21 0.00 0.00 66.02 63.97 2cr5 s SER 80 CO 0.35 -0.62 1.22 -1.54 0.41 0.00 0.00 173.24 173.06 2cr5 n SER 81 N 4.83 -0.53 -0.28 2.44 3.41 -1.26 -4.36 113.62 117.87 2cr5 n SER 81 Ca 0.11 -1.37 0.02 0.00 -0.26 0.00 0.00 58.87 57.37 2cr5 n SER 81 Cb 0.45 -0.98 0.15 0.00 -0.26 0.00 0.00 64.21 63.57 2cr5 n SER 81 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2cr5 h LEU 82 N 0.00 0.67 -0.56 1.04 3.38 -0.78 -0.17 115.31 118.89 2cr5 h LEU 82 Ca -0.41 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.44 2cr5 h LEU 82 Cb 1.16 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2cr5 h LEU 82 CO 0.28 0.40 -0.62 -0.08 0.09 0.00 0.00 178.44 178.51 2cr5 h GLU 83 N 0.79 0.37 -0.50 1.13 4.81 -1.66 0.21 114.58 119.72 2cr5 h GLU 83 Ca 0.38 -0.26 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 2cr5 h GLU 83 Cb 0.31 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 2cr5 h GLU 83 CO -0.23 0.87 0.00 -0.44 -0.73 0.00 0.00 179.01 178.48 2cr5 h ASP 84 N 0.27 0.80 0.98 1.04 3.32 -1.54 -2.64 116.42 118.66 2cr5 h ASP 84 Ca -0.01 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 56.73 2cr5 h ASP 84 Cb 1.15 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 2cr5 h ASP 84 CO 0.10 0.87 -0.54 0.16 -1.72 0.00 0.00 179.24 178.11 2cr5 h ILE 85 N 0.78 1.10 0.00 0.35 3.07 -1.01 -3.47 117.51 118.33 2cr5 h ILE 85 Ca 0.15 -2.08 0.00 0.00 1.55 0.00 0.00 64.86 64.48 2cr5 h ILE 85 Cb 0.47 2.22 0.00 0.00 -0.27 0.00 0.00 36.82 39.24 2cr5 h ILE 85 CO 0.02 0.53 0.00 0.61 -1.05 0.00 0.00 178.15 178.26 2cr5 n GLY 86 N 0.64 0.86 2.40 0.16 0.00 -0.97 -5.09 105.19 103.19 2cr5 n GLY 86 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 1.25 0.43 -0.61 2.08 0.68 -4.82 119.36 118.38 2cr5 n ILE 87 Ca 0.00 -4.83 0.09 0.00 0.56 0.00 0.00 62.75 58.57 2cr5 n ILE 87 Cb 0.00 -1.77 -0.12 0.00 -0.75 0.00 0.00 39.64 37.00 2cr5 n ILE 87 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2cr5 n THR 88 N 0.80 0.00 -4.17 1.39 -2.24 -1.26 -4.12 114.28 104.68 2cr5 n THR 88 Ca 0.27 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.69 2cr5 n THR 88 Cb 0.47 0.54 -0.10 0.00 -2.10 0.00 0.00 70.33 69.14 2cr5 n THR 88 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2cr5 s VAL 89 N -3.01 0.66 0.01 2.28 -7.23 -1.26 -4.88 120.40 106.97 2cr5 s VAL 89 Ca 0.00 -1.93 -0.28 0.00 -1.81 0.00 0.00 61.98 57.95 2cr5 s VAL 89 Cb 0.13 -1.73 -0.14 0.00 0.56 0.00 0.00 36.38 35.20 2cr5 s VAL 89 CO 0.77 -0.83 0.74 -0.90 -0.31 0.00 0.00 175.10 174.57 2cr5 n ASP 90 N -0.06 -0.09 -3.80 4.85 5.75 -1.26 -4.84 116.55 117.09 2cr5 n ASP 90 Ca -0.11 0.84 -0.13 0.00 -0.01 0.00 0.00 54.79 55.38 2cr5 n ASP 90 Cb 0.61 -0.67 -0.12 0.00 -1.03 0.00 0.00 41.12 39.91 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 -0.07 -0.00 -0.16 2.12 2.01 -1.22 -5.02 115.64 113.30 2cr5 s THR 91 Ca 0.65 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.61 2cr5 s THR 91 Cb -0.90 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 2cr5 s THR 91 CO 0.42 0.00 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.63 2cr5 s VAL 92 N 0.14 3.97 0.51 3.82 1.01 -1.26 -2.92 120.40 125.66 2cr5 s VAL 92 Ca -0.00 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 61.73 2cr5 s VAL 92 Cb -0.02 -2.75 0.04 0.00 0.00 0.00 0.00 36.38 33.65 2cr5 s VAL 92 CO 0.00 0.48 0.56 -0.76 0.00 0.00 0.00 175.10 175.38 2cr5 s LEU 93 N 0.47 3.13 -0.01 3.92 1.43 -0.76 -3.26 118.68 123.60 2cr5 s LEU 93 Ca -0.03 -0.88 0.01 0.00 -1.03 0.00 0.00 54.13 52.20 2cr5 s LEU 93 Cb -0.14 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.34 2cr5 s LEU 93 CO 0.03 -1.04 -0.02 0.20 0.23 0.00 0.00 176.35 175.75 2cr5 s ASN 94 N -4.39 0.31 -0.28 2.29 0.01 0.33 -2.51 114.94 110.70 2cr5 s ASN 94 Ca 0.50 -0.04 -0.02 0.00 -0.71 0.00 0.00 52.86 52.59 2cr5 s ASN 94 Cb -0.05 -0.07 0.04 0.00 0.41 0.00 0.00 41.25 41.58 2cr5 s ASN 94 CO 0.31 0.00 -0.03 -0.69 -1.51 0.00 0.00 177.10 175.18 2cr5 s VAL 95 N 0.18 2.95 -0.01 1.60 1.01 -0.59 -1.69 120.40 123.84 2cr5 s VAL 95 Ca -0.01 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 60.75 2cr5 s VAL 95 Cb -0.04 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.72 2cr5 s VAL 95 CO -0.00 0.02 -0.06 -1.61 0.00 0.00 0.00 175.10 173.45 2cr5 s GLU 96 N 1.28 0.47 0.56 2.72 2.02 -1.19 -3.69 118.70 120.87 2cr5 s GLU 96 Ca -0.03 -0.20 -0.14 0.00 0.02 0.00 0.00 54.97 54.62 2cr5 s GLU 96 Cb -0.18 -0.45 -0.12 0.00 0.10 0.00 0.00 34.13 33.47 2cr5 s GLU 96 CO -0.02 0.11 -0.31 -1.91 0.02 0.00 0.00 175.26 173.15 2cr5 n GLU 97 N 2.98 0.00 -0.33 1.61 2.13 -1.26 -2.60 120.64 123.16 2cr5 n GLU 97 Ca -0.13 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.69 2cr5 n GLU 97 Cb 0.58 -0.80 0.12 0.00 0.27 0.00 0.00 31.44 31.61 2cr5 n GLU 97 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2cr5 n LYS 98 N 1.51 2.12 -0.02 5.31 5.02 -0.95 -3.74 118.16 127.42 2cr5 n LYS 98 Ca 0.03 -1.06 -0.03 0.00 -2.02 0.00 0.00 58.31 55.24 2cr5 n LYS 98 Cb 0.40 -1.68 -0.02 0.00 -0.02 0.00 0.00 35.03 33.72 2cr5 n LYS 98 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2cr5 n GLU 99 N 0.15 0.10 -3.61 1.97 1.02 -1.26 -5.04 120.64 113.97 2cr5 n GLU 99 Ca 0.12 0.02 -0.23 0.00 -0.02 0.00 0.00 57.16 57.05 2cr5 n GLU 99 Cb 0.65 -1.08 0.07 0.00 -0.02 0.00 0.00 31.44 31.06 2cr5 n GLU 99 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2cr5 n GLN 100 N -2.62 -7.08 -3.69 3.49 7.27 -1.25 -4.99 117.38 108.51 2cr5 n GLN 100 Ca -0.07 0.78 -0.11 0.00 0.07 0.00 0.00 57.00 57.67 2cr5 n GLN 100 Cb 0.58 -5.77 -0.06 0.00 2.41 0.00 0.00 30.24 27.39 2cr5 n GLN 100 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2cr5 s SER 101 N -3.64 -0.20 0.50 1.69 0.15 -1.26 -5.16 113.70 105.78 2cr5 s SER 101 Ca 0.42 -0.21 -0.19 0.00 0.70 0.00 0.00 55.95 56.66 2cr5 s SER 101 Cb -0.19 0.42 -0.08 0.00 -1.71 0.00 0.00 66.02 64.46 2cr5 s SER 101 CO 0.75 -0.73 1.02 -0.44 1.20 0.00 0.00 173.24 175.04 2cr5 s SER 102 N -2.39 6.35 -0.02 5.45 0.01 -1.26 -5.07 113.70 116.77 2cr5 s SER 102 Ca -0.01 1.83 0.01 0.00 1.31 0.00 0.00 55.95 59.09 2cr5 s SER 102 Cb 0.01 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.71 2cr5 s SER 102 CO -0.07 -0.77 -0.01 0.00 0.41 0.00 0.00 173.24 172.80 2cr5 s GLN 103 N -3.47 0.25 -0.29 12.44 -2.07 -1.26 -5.14 119.66 120.12 2cr5 s GLN 103 Ca 0.65 0.01 -0.15 0.00 -1.82 0.00 0.00 55.36 54.06 2cr5 s GLN 103 Cb -0.14 -0.36 0.12 0.00 -1.09 0.00 0.00 33.01 31.53 2cr5 s GLN 103 CO 0.23 -0.06 0.79 -1.12 -1.32 0.00 0.00 175.29 173.82 2cr5 s SER 104 N 0.60 -0.83 -0.32 12.60 0.01 -1.26 -5.10 113.70 119.39 2cr5 s SER 104 Ca -0.06 1.25 -0.06 0.00 1.31 0.00 0.00 55.95 58.40 2cr5 s SER 104 Cb -0.09 1.58 0.24 0.00 0.21 0.00 0.00 66.02 67.96 2cr5 s SER 104 CO -0.01 -0.19 1.19 0.61 0.41 0.00 0.00 173.24 175.25 2cr5 n GLY 105 N 4.49 -1.82 0.00 3.44 0.00 -1.26 -5.00 105.19 105.04 2cr5 n GLY 105 Ca -0.16 1.23 0.06 0.00 0.00 0.00 0.00 46.02 47.14 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 2.09 0.48 -1.51 1.61 -0.04 -1.26 -4.87 135.00 131.51 2cr5 n PRO 106 Ca 0.07 0.00 -0.55 0.00 -0.04 0.00 0.00 63.50 62.97 2cr5 n PRO 106 Cb 0.68 -1.38 -0.07 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.88 0.23 0.00 3.54 2.88 -1.26 -4.87 113.62 113.26 2cr5 n SER 107 Ca 0.09 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 2cr5 n SER 107 Cb 0.04 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 2cr5 n SER 107 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cr5 n SER 108 N 1.78 2.57 0.00 -3.46 2.88 -1.26 -5.29 113.62 110.83 2cr5 n SER 108 Ca 0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 2cr5 n SER 108 Cb 0.14 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 2cr5 n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42